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/d3-d5-62480753/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d3-d5-62480753/inputs/seq.fa: 1 curr_seq: _AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/d3-d5-62480753/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d3-d5-62480753/inputs/seq.fa: 1 curr_seq: _AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/d3-d5-62480753/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d3-d5-62480753/inputs/seq.fa: 1 curr_seq: _AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/d3-d5-62480753/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d3-d5-62480753/inputs/seq.fa: 1 curr_seq: _AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/d3-d5-62480753/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d3-d5-62480753/inputs/seq.fa: 1 curr_seq: _AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/d3-d5-62480753/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d3-d5-62480753/inputs/seq.fa: 1 curr_seq: _AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/d3-d5-62480753/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d3-d5-62480753/inputs/seq.fa: 1 curr_seq: _AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/d3-d5-62480753/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d3-d5-62480753/inputs/seq.fa: 1 curr_seq: _AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/d3-d5-62480753/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d3-d5-62480753/inputs/seq.fa: 1 curr_seq: _AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/d3-d5-62480753/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d3-d5-62480753/inputs/seq.fa: 1 curr_seq: _AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUCAUAGUACCCUGUUCGCAGGGGAAGGACGGAACAAGUAUGGCGUUCGCGCCUAAGCUUGAACCGCCGUAUACCGAACGGUACGUACGGUGGUGUGG 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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: -420.672286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.672286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.672286 (E_RNA) where: Base-Base interactions energy: -23.446 where: short stacking energy: -23.446 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 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: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -420.672286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.672286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.672286 (E_RNA) where: Base-Base interactions energy: -23.446 where: short stacking energy: -23.446 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -420.672286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.672286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.672286 (E_RNA) where: Base-Base interactions energy: -23.446 where: short stacking energy: -23.446 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -420.672286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.672286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.672286 (E_RNA) where: Base-Base interactions energy: -23.446 where: short stacking energy: -23.446 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -420.672286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.672286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.672286 (E_RNA) where: Base-Base interactions energy: -23.446 where: short stacking energy: -23.446 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -420.672286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.672286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.672286 (E_RNA) where: Base-Base interactions energy: -23.446 where: short stacking energy: -23.446 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -420.672286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.672286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.672286 (E_RNA) where: Base-Base interactions energy: -23.446 where: short stacking energy: -23.446 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -420.672286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.672286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.672286 (E_RNA) where: Base-Base interactions energy: -23.446 where: short stacking energy: -23.446 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -420.672286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.672286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.672286 (E_RNA) where: Base-Base interactions energy: -23.446 where: short stacking energy: -23.446 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -420.672286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.672286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.672286 (E_RNA) where: Base-Base interactions energy: -23.446 where: short stacking energy: -23.446 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -594.483262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.483262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.483262 (E_RNA) where: Base-Base interactions energy: -267.412 where: short stacking energy: -264.108 Base-Backbone interact. energy: -0.159 local terms energy: -326.912916 where: bonds (distance) C4'-P energy: -65.322 bonds (distance) P-C4' energy: -69.985 flat angles C4'-P-C4' energy: -69.331 flat angles P-C4'-P energy: -46.427 tors. eta vs tors. theta energy: -75.848 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -550.270243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.270243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.270243 (E_RNA) where: Base-Base interactions energy: -249.875 where: short stacking energy: -236.064 Base-Backbone interact. energy: -0.154 local terms energy: -300.241278 where: bonds (distance) C4'-P energy: -58.949 bonds (distance) P-C4' energy: -69.588 flat angles C4'-P-C4' energy: -68.752 flat angles P-C4'-P energy: -39.572 tors. eta vs tors. theta energy: -63.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -483.880837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.880837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.880837 (E_RNA) where: Base-Base interactions energy: -206.385 where: short stacking energy: -195.443 Base-Backbone interact. energy: -0.391 local terms energy: -277.104321 where: bonds (distance) C4'-P energy: -68.677 bonds (distance) P-C4' energy: -70.770 flat angles C4'-P-C4' energy: -50.994 flat angles P-C4'-P energy: -39.931 tors. eta vs tors. theta energy: -46.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -466.558486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.558486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.558486 (E_RNA) where: Base-Base interactions energy: -185.091 where: short stacking energy: -173.689 Base-Backbone interact. energy: -0.513 local terms energy: -280.954228 where: bonds (distance) C4'-P energy: -67.613 bonds (distance) P-C4' energy: -67.273 flat angles C4'-P-C4' energy: -70.356 flat angles P-C4'-P energy: -36.488 tors. eta vs tors. theta energy: -39.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -425.374286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.374286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.374286 (E_RNA) where: Base-Base interactions energy: -51.059 where: short stacking energy: -51.059 Base-Backbone interact. energy: -0.000 local terms energy: -374.314904 where: bonds (distance) C4'-P energy: -91.107 bonds (distance) P-C4' energy: -78.648 flat angles C4'-P-C4' energy: -74.391 flat angles P-C4'-P energy: -83.162 tors. eta vs tors. theta energy: -47.006 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -423.415681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.415681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.415681 (E_RNA) where: Base-Base interactions energy: -27.126 where: short stacking energy: -27.126 Base-Backbone interact. energy: -0.000 local terms energy: -396.290008 where: bonds (distance) C4'-P energy: -98.869 bonds (distance) P-C4' energy: -92.136 flat angles C4'-P-C4' energy: -74.009 flat angles P-C4'-P energy: -85.556 tors. eta vs tors. theta energy: -45.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -423.322915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.322915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.322915 (E_RNA) where: Base-Base interactions energy: -27.118 where: short stacking energy: -27.118 Base-Backbone interact. energy: -0.000 local terms energy: -396.205324 where: bonds (distance) C4'-P energy: -98.869 bonds (distance) P-C4' energy: -92.136 flat angles C4'-P-C4' energy: -74.009 flat angles P-C4'-P energy: -85.471 tors. eta vs tors. theta energy: -45.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -422.959771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.959771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.959771 (E_RNA) where: Base-Base interactions energy: -26.738 where: short stacking energy: -26.738 Base-Backbone interact. energy: -0.000 local terms energy: -396.221984 where: bonds (distance) C4'-P energy: -98.869 bonds (distance) P-C4' energy: -92.136 flat angles C4'-P-C4' energy: -74.009 flat angles P-C4'-P energy: -85.508 tors. eta vs tors. theta energy: -45.700 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -424.610171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.610171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.610171 (E_RNA) where: Base-Base interactions energy: -87.584 where: short stacking energy: -87.584 Base-Backbone interact. energy: -0.000 local terms energy: -337.025461 where: bonds (distance) C4'-P energy: -70.101 bonds (distance) P-C4' energy: -73.040 flat angles C4'-P-C4' energy: -71.736 flat angles P-C4'-P energy: -75.875 tors. eta vs tors. theta energy: -46.272 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: 2 Temperature: 1.350000 Total energy: -421.793561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.793561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.793561 (E_RNA) where: Base-Base interactions energy: -26.103 where: short stacking energy: -26.103 Base-Backbone interact. energy: -0.000 local terms energy: -395.690902 where: bonds (distance) C4'-P energy: -98.513 bonds (distance) P-C4' energy: -92.136 flat angles C4'-P-C4' energy: -74.009 flat angles P-C4'-P energy: -85.508 tors. eta vs tors. theta energy: -45.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -577.950413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.950413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.950413 (E_RNA) where: Base-Base interactions energy: -278.815 where: short stacking energy: -263.369 Base-Backbone interact. energy: -0.175 local terms energy: -298.959670 where: bonds (distance) C4'-P energy: -58.142 bonds (distance) P-C4' energy: -63.421 flat angles C4'-P-C4' energy: -69.958 flat angles P-C4'-P energy: -38.291 tors. eta vs tors. theta energy: -69.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -537.525645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.525645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.525645 (E_RNA) where: Base-Base interactions energy: -251.051 where: short stacking energy: -233.990 Base-Backbone interact. energy: -0.129 local terms energy: -286.345920 where: bonds (distance) C4'-P energy: -68.279 bonds (distance) P-C4' energy: -65.140 flat angles C4'-P-C4' energy: -62.977 flat angles P-C4'-P energy: -36.245 tors. eta vs tors. theta energy: -53.705 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -559.975761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.975761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.975761 (E_RNA) where: Base-Base interactions energy: -287.433 where: short stacking energy: -195.766 Base-Backbone interact. energy: -1.093 local terms energy: -271.449549 where: bonds (distance) C4'-P energy: -64.619 bonds (distance) P-C4' energy: -61.618 flat angles C4'-P-C4' energy: -67.699 flat angles P-C4'-P energy: -41.196 tors. eta vs tors. theta energy: -36.317 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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -482.520937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.520937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.520937 (E_RNA) where: Base-Base interactions energy: -224.707 where: short stacking energy: -203.327 Base-Backbone interact. energy: -0.470 local terms energy: -257.343646 where: bonds (distance) C4'-P energy: -47.841 bonds (distance) P-C4' energy: -72.187 flat angles C4'-P-C4' energy: -51.537 flat angles P-C4'-P energy: -47.473 tors. eta vs tors. theta energy: -38.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -429.375193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.375193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.375193 (E_RNA) where: Base-Base interactions energy: -186.544 where: short stacking energy: -161.866 Base-Backbone interact. energy: 1.581 local terms energy: -244.412592 where: bonds (distance) C4'-P energy: -49.291 bonds (distance) P-C4' energy: -65.146 flat angles C4'-P-C4' energy: -62.654 flat angles P-C4'-P energy: -30.865 tors. eta vs tors. theta energy: -36.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -459.259851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.259851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.259851 (E_RNA) where: Base-Base interactions energy: -234.256 where: short stacking energy: -126.272 Base-Backbone interact. energy: 1.983 local terms energy: -226.986762 where: bonds (distance) C4'-P energy: -51.473 bonds (distance) P-C4' energy: -66.119 flat angles C4'-P-C4' energy: -60.692 flat angles P-C4'-P energy: -38.922 tors. eta vs tors. theta energy: -9.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -364.310198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.310198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.310198 (E_RNA) where: Base-Base interactions energy: -152.377 where: short stacking energy: -128.318 Base-Backbone interact. energy: 1.232 local terms energy: -213.165719 where: bonds (distance) C4'-P energy: -64.881 bonds (distance) P-C4' energy: -62.391 flat angles C4'-P-C4' energy: -42.096 flat angles P-C4'-P energy: -34.007 tors. eta vs tors. theta energy: -9.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -407.582483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.582483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.582483 (E_RNA) where: Base-Base interactions energy: -197.340 where: short stacking energy: -142.419 Base-Backbone interact. energy: -0.847 local terms energy: -209.394914 where: bonds (distance) C4'-P energy: -63.687 bonds (distance) P-C4' energy: -57.296 flat angles C4'-P-C4' energy: -49.110 flat angles P-C4'-P energy: -30.337 tors. eta vs tors. theta energy: -8.964 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: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -305.558759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.558759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.558759 (E_RNA) where: Base-Base interactions energy: -111.810 where: short stacking energy: -92.391 Base-Backbone interact. energy: -0.847 local terms energy: -192.901116 where: bonds (distance) C4'-P energy: -53.759 bonds (distance) P-C4' energy: -63.524 flat angles C4'-P-C4' energy: -42.329 flat angles P-C4'-P energy: -19.836 tors. eta vs tors. theta energy: -13.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -280.365920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.365920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.365920 (E_RNA) where: Base-Base interactions energy: -94.205 where: short stacking energy: -91.715 Base-Backbone interact. energy: 1.543 local terms energy: -187.703827 where: bonds (distance) C4'-P energy: -59.031 bonds (distance) P-C4' energy: -62.744 flat angles C4'-P-C4' energy: -45.960 flat angles P-C4'-P energy: -29.952 tors. eta vs tors. theta energy: 9.983 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -642.602697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.602697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.602697 (E_RNA) where: Base-Base interactions energy: -332.921 where: short stacking energy: -261.256 Base-Backbone interact. energy: -0.588 local terms energy: -309.093974 where: bonds (distance) C4'-P energy: -65.762 bonds (distance) P-C4' energy: -58.797 flat angles C4'-P-C4' energy: -63.684 flat angles P-C4'-P energy: -52.821 tors. eta vs tors. theta energy: -68.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -583.616324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.616324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.616324 (E_RNA) where: Base-Base interactions energy: -281.887 where: short stacking energy: -241.703 Base-Backbone interact. energy: -0.528 local terms energy: -301.202119 where: bonds (distance) C4'-P energy: -56.609 bonds (distance) P-C4' energy: -66.785 flat angles C4'-P-C4' energy: -64.230 flat angles P-C4'-P energy: -49.524 tors. eta vs tors. theta energy: -64.055 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: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -628.416914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.416914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.416914 (E_RNA) where: Base-Base interactions energy: -358.537 where: short stacking energy: -193.897 Base-Backbone interact. energy: -0.260 local terms energy: -269.620527 where: bonds (distance) C4'-P energy: -60.310 bonds (distance) P-C4' energy: -60.416 flat angles C4'-P-C4' energy: -67.003 flat angles P-C4'-P energy: -38.448 tors. eta vs tors. theta energy: -43.443 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -527.991397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.991397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.991397 (E_RNA) where: Base-Base interactions energy: -270.301 where: short stacking energy: -174.086 Base-Backbone interact. energy: 1.570 local terms energy: -259.260623 where: bonds (distance) C4'-P energy: -53.584 bonds (distance) P-C4' energy: -63.761 flat angles C4'-P-C4' energy: -67.922 flat angles P-C4'-P energy: -37.494 tors. eta vs tors. theta energy: -36.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -542.449935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.449935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.449935 (E_RNA) where: Base-Base interactions energy: -303.900 where: short stacking energy: -158.787 Base-Backbone interact. energy: -0.603 local terms energy: -237.947138 where: bonds (distance) C4'-P energy: -50.151 bonds (distance) P-C4' energy: -63.022 flat angles C4'-P-C4' energy: -64.690 flat angles P-C4'-P energy: -31.208 tors. eta vs tors. theta energy: -28.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -446.404327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.404327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.404327 (E_RNA) where: Base-Base interactions energy: -211.966 where: short stacking energy: -141.258 Base-Backbone interact. energy: -0.521 local terms energy: -233.917274 where: bonds (distance) C4'-P energy: -55.373 bonds (distance) P-C4' energy: -61.116 flat angles C4'-P-C4' energy: -58.654 flat angles P-C4'-P energy: -37.250 tors. eta vs tors. theta energy: -21.524 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: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -463.932769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.932769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.932769 (E_RNA) where: Base-Base interactions energy: -244.308 where: short stacking energy: -158.871 Base-Backbone interact. energy: -0.491 local terms energy: -219.133588 where: bonds (distance) C4'-P energy: -52.006 bonds (distance) P-C4' energy: -52.704 flat angles C4'-P-C4' energy: -57.360 flat angles P-C4'-P energy: -28.959 tors. eta vs tors. theta energy: -28.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -339.938406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.938406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.938406 (E_RNA) where: Base-Base interactions energy: -137.955 where: short stacking energy: -105.242 Base-Backbone interact. energy: -0.489 local terms energy: -201.494745 where: bonds (distance) C4'-P energy: -57.742 bonds (distance) P-C4' energy: -45.704 flat angles C4'-P-C4' energy: -53.884 flat angles P-C4'-P energy: -25.450 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: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -315.409796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.409796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.409796 (E_RNA) where: Base-Base interactions energy: -110.178 where: short stacking energy: -100.500 Base-Backbone interact. energy: -0.155 local terms energy: -205.076832 where: bonds (distance) C4'-P energy: -62.306 bonds (distance) P-C4' energy: -60.787 flat angles C4'-P-C4' energy: -47.791 flat angles P-C4'-P energy: -29.832 tors. eta vs tors. theta energy: -4.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -270.627049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.627049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.627049 (E_RNA) where: Base-Base interactions energy: -110.596 where: short stacking energy: -85.583 Base-Backbone interact. energy: -0.911 local terms energy: -159.120335 where: bonds (distance) C4'-P energy: -47.653 bonds (distance) P-C4' energy: -50.490 flat angles C4'-P-C4' energy: -56.204 flat angles P-C4'-P energy: -17.292 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: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -710.293765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.293765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.293765 (E_RNA) where: Base-Base interactions energy: -409.995 where: short stacking energy: -239.806 Base-Backbone interact. energy: -1.102 local terms energy: -299.196552 where: bonds (distance) C4'-P energy: -61.739 bonds (distance) P-C4' energy: -69.652 flat angles C4'-P-C4' energy: -69.776 flat angles P-C4'-P energy: -47.682 tors. eta vs tors. theta energy: -50.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -677.003390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.003390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.003390 (E_RNA) where: Base-Base interactions energy: -385.492 where: short stacking energy: -216.619 Base-Backbone interact. energy: -2.541 local terms energy: -288.971054 where: bonds (distance) C4'-P energy: -69.733 bonds (distance) P-C4' energy: -68.651 flat angles C4'-P-C4' energy: -66.482 flat angles P-C4'-P energy: -47.722 tors. eta vs tors. theta energy: -36.383 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: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -578.148281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.148281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.148281 (E_RNA) where: Base-Base interactions energy: -282.101 where: short stacking energy: -236.741 Base-Backbone interact. energy: -0.250 local terms energy: -295.797292 where: bonds (distance) C4'-P energy: -59.741 bonds (distance) P-C4' energy: -72.513 flat angles C4'-P-C4' energy: -62.618 flat angles P-C4'-P energy: -43.529 tors. eta vs tors. theta energy: -57.396 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: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -568.079620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.079620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.079620 (E_RNA) where: Base-Base interactions energy: -292.874 where: short stacking energy: -191.061 Base-Backbone interact. energy: -1.059 local terms energy: -274.146878 where: bonds (distance) C4'-P energy: -64.487 bonds (distance) P-C4' energy: -73.418 flat angles C4'-P-C4' energy: -58.054 flat angles P-C4'-P energy: -38.967 tors. eta vs tors. theta energy: -39.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -615.347488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.347488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.347488 (E_RNA) where: Base-Base interactions energy: -380.592 where: short stacking energy: -202.744 Base-Backbone interact. energy: 1.501 local terms energy: -236.256323 where: bonds (distance) C4'-P energy: -60.576 bonds (distance) P-C4' energy: -58.129 flat angles C4'-P-C4' energy: -53.155 flat angles P-C4'-P energy: -40.721 tors. eta vs tors. theta energy: -23.676 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: 6, replica: 5 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -458.134331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.134331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.134331 (E_RNA) where: Base-Base interactions energy: -221.920 where: short stacking energy: -133.224 Base-Backbone interact. energy: -2.266 local terms energy: -233.948438 where: bonds (distance) C4'-P energy: -55.107 bonds (distance) P-C4' energy: -62.626 flat angles C4'-P-C4' energy: -58.822 flat angles P-C4'-P energy: -38.569 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: 7, replica: 9 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -494.659824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.659824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.659824 (E_RNA) where: Base-Base interactions energy: -302.700 where: short stacking energy: -156.172 Base-Backbone interact. energy: -0.875 local terms energy: -191.084659 where: bonds (distance) C4'-P energy: -55.183 bonds (distance) P-C4' energy: -53.601 flat angles C4'-P-C4' energy: -46.712 flat angles P-C4'-P energy: -23.124 tors. eta vs tors. theta energy: -12.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -343.643629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.643629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.643629 (E_RNA) where: Base-Base interactions energy: -134.366 where: short stacking energy: -100.783 Base-Backbone interact. energy: -1.078 local terms energy: -208.199748 where: bonds (distance) C4'-P energy: -54.436 bonds (distance) P-C4' energy: -67.713 flat angles C4'-P-C4' energy: -48.858 flat angles P-C4'-P energy: -34.106 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: 9, replica: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -320.878441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.878441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.878441 (E_RNA) where: Base-Base interactions energy: -144.601 where: short stacking energy: -112.409 Base-Backbone interact. energy: 1.836 local terms energy: -178.113122 where: bonds (distance) C4'-P energy: -48.377 bonds (distance) P-C4' energy: -57.210 flat angles C4'-P-C4' energy: -36.895 flat angles P-C4'-P energy: -32.844 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: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -273.678361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.678361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.678361 (E_RNA) where: Base-Base interactions energy: -104.374 where: short stacking energy: -86.553 Base-Backbone interact. energy: -2.485 local terms energy: -166.819960 where: bonds (distance) C4'-P energy: -44.670 bonds (distance) P-C4' energy: -51.496 flat angles C4'-P-C4' energy: -36.628 flat angles P-C4'-P energy: -33.768 tors. eta vs tors. theta energy: -0.257 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: 3 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -762.513743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.513743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.513743 (E_RNA) where: Base-Base interactions energy: -456.252 where: short stacking energy: -244.127 Base-Backbone interact. energy: -1.708 local terms energy: -304.553391 where: bonds (distance) C4'-P energy: -67.731 bonds (distance) P-C4' energy: -69.525 flat angles C4'-P-C4' energy: -61.793 flat angles P-C4'-P energy: -44.089 tors. eta vs tors. theta energy: -61.416 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: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -703.310671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.310671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.310671 (E_RNA) where: Base-Base interactions energy: -409.436 where: short stacking energy: -241.634 Base-Backbone interact. energy: -1.652 local terms energy: -292.222482 where: bonds (distance) C4'-P energy: -64.707 bonds (distance) P-C4' energy: -66.735 flat angles C4'-P-C4' energy: -70.941 flat angles P-C4'-P energy: -36.341 tors. eta vs tors. theta energy: -53.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -669.685301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.685301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.685301 (E_RNA) where: Base-Base interactions energy: -387.663 where: short stacking energy: -205.993 Base-Backbone interact. energy: 1.279 local terms energy: -283.301906 where: bonds (distance) C4'-P energy: -64.253 bonds (distance) P-C4' energy: -71.556 flat angles C4'-P-C4' energy: -65.948 flat angles P-C4'-P energy: -40.094 tors. eta vs tors. theta energy: -41.451 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: 2 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -579.706840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.706840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.706840 (E_RNA) where: Base-Base interactions energy: -309.399 where: short stacking energy: -192.194 Base-Backbone interact. energy: -0.878 local terms energy: -269.429727 where: bonds (distance) C4'-P energy: -64.263 bonds (distance) P-C4' energy: -57.347 flat angles C4'-P-C4' energy: -55.919 flat angles P-C4'-P energy: -46.790 tors. eta vs tors. theta energy: -45.110 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: 7 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -621.090344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.090344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.090344 (E_RNA) where: Base-Base interactions energy: -384.347 where: short stacking energy: -194.685 Base-Backbone interact. energy: -0.033 local terms energy: -236.710166 where: bonds (distance) C4'-P energy: -53.813 bonds (distance) P-C4' energy: -64.340 flat angles C4'-P-C4' energy: -49.665 flat angles P-C4'-P energy: -36.426 tors. eta vs tors. theta energy: -32.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -516.912415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.912415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.912415 (E_RNA) where: Base-Base interactions energy: -293.451 where: short stacking energy: -181.050 Base-Backbone interact. energy: -1.076 local terms energy: -222.385704 where: bonds (distance) C4'-P energy: -55.146 bonds (distance) P-C4' energy: -56.796 flat angles C4'-P-C4' energy: -47.859 flat angles P-C4'-P energy: -32.750 tors. eta vs tors. theta energy: -29.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -500.970554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.970554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.970554 (E_RNA) where: Base-Base interactions energy: -265.940 where: short stacking energy: -135.178 Base-Backbone interact. energy: -0.784 local terms energy: -234.246753 where: bonds (distance) C4'-P energy: -60.780 bonds (distance) P-C4' energy: -65.158 flat angles C4'-P-C4' energy: -58.645 flat angles P-C4'-P energy: -36.002 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: 8, replica: 10 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -325.096428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.096428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.096428 (E_RNA) where: Base-Base interactions energy: -128.284 where: short stacking energy: -127.175 Base-Backbone interact. energy: 2.045 local terms energy: -198.857268 where: bonds (distance) C4'-P energy: -52.752 bonds (distance) P-C4' energy: -59.111 flat angles C4'-P-C4' energy: -43.961 flat angles P-C4'-P energy: -28.098 tors. eta vs tors. theta energy: -14.935 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: 6 Temperature: 1.300000 Total energy: -331.216091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.216091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.216091 (E_RNA) where: Base-Base interactions energy: -163.872 where: short stacking energy: -113.902 Base-Backbone interact. energy: -2.552 local terms energy: -164.792975 where: bonds (distance) C4'-P energy: -44.147 bonds (distance) P-C4' energy: -58.298 flat angles C4'-P-C4' energy: -40.054 flat angles P-C4'-P energy: -31.477 tors. eta vs tors. theta energy: 9.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -278.860306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.860306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.860306 (E_RNA) where: Base-Base interactions energy: -102.177 where: short stacking energy: -101.844 Base-Backbone interact. energy: 2.957 local terms energy: -179.640518 where: bonds (distance) C4'-P energy: -55.792 bonds (distance) P-C4' energy: -50.937 flat angles C4'-P-C4' energy: -50.612 flat angles P-C4'-P energy: -22.857 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: 1, replica: 3 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -857.600118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.600118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.600118 (E_RNA) where: Base-Base interactions energy: -540.738 where: short stacking energy: -263.762 Base-Backbone interact. energy: -2.142 local terms energy: -314.720139 where: bonds (distance) C4'-P energy: -62.312 bonds (distance) P-C4' energy: -63.146 flat angles C4'-P-C4' energy: -71.840 flat angles P-C4'-P energy: -48.237 tors. eta vs tors. theta energy: -69.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -752.421718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.421718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.421718 (E_RNA) where: Base-Base interactions energy: -446.987 where: short stacking energy: -248.349 Base-Backbone interact. energy: -0.472 local terms energy: -304.962650 where: bonds (distance) C4'-P energy: -64.532 bonds (distance) P-C4' energy: -66.581 flat angles C4'-P-C4' energy: -69.315 flat angles P-C4'-P energy: -47.583 tors. eta vs tors. theta energy: -56.952 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: 4 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -690.767778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.767778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.767778 (E_RNA) where: Base-Base interactions energy: -451.822 where: short stacking energy: -228.169 Base-Backbone interact. energy: 3.675 local terms energy: -242.620679 where: bonds (distance) C4'-P energy: -62.917 bonds (distance) P-C4' energy: -46.785 flat angles C4'-P-C4' energy: -54.076 flat angles P-C4'-P energy: -38.331 tors. eta vs tors. theta energy: -40.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -704.890694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.890694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.890694 (E_RNA) where: Base-Base interactions energy: -441.837 where: short stacking energy: -203.890 Base-Backbone interact. energy: -1.878 local terms energy: -261.175723 where: bonds (distance) C4'-P energy: -64.320 bonds (distance) P-C4' energy: -62.731 flat angles C4'-P-C4' energy: -62.083 flat angles P-C4'-P energy: -36.851 tors. eta vs tors. theta energy: -35.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -565.697436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.697436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.697436 (E_RNA) where: Base-Base interactions energy: -317.830 where: short stacking energy: -174.720 Base-Backbone interact. energy: 0.452 local terms energy: -248.319516 where: bonds (distance) C4'-P energy: -64.270 bonds (distance) P-C4' energy: -54.958 flat angles C4'-P-C4' energy: -53.152 flat angles P-C4'-P energy: -37.317 tors. eta vs tors. theta energy: -38.623 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: 9 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -553.555341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.555341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.555341 (E_RNA) where: Base-Base interactions energy: -321.987 where: short stacking energy: -181.734 Base-Backbone interact. energy: 2.295 local terms energy: -233.862622 where: bonds (distance) C4'-P energy: -46.853 bonds (distance) P-C4' energy: -62.232 flat angles C4'-P-C4' energy: -60.882 flat angles P-C4'-P energy: -32.875 tors. eta vs tors. theta energy: -31.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -528.891799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.891799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.891799 (E_RNA) where: Base-Base interactions energy: -297.154 where: short stacking energy: -163.258 Base-Backbone interact. energy: -0.051 local terms energy: -231.686805 where: bonds (distance) C4'-P energy: -49.699 bonds (distance) P-C4' energy: -54.929 flat angles C4'-P-C4' energy: -56.276 flat angles P-C4'-P energy: -39.466 tors. eta vs tors. theta energy: -31.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -462.499598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.499598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.499598 (E_RNA) where: Base-Base interactions energy: -254.380 where: short stacking energy: -121.866 Base-Backbone interact. energy: -2.707 local terms energy: -205.412414 where: bonds (distance) C4'-P energy: -58.198 bonds (distance) P-C4' energy: -50.249 flat angles C4'-P-C4' energy: -55.155 flat angles P-C4'-P energy: -35.221 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: 9, replica: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -307.913706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.913706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.913706 (E_RNA) where: Base-Base interactions energy: -137.224 where: short stacking energy: -108.027 Base-Backbone interact. energy: -1.903 local terms energy: -168.785902 where: bonds (distance) C4'-P energy: -49.710 bonds (distance) P-C4' energy: -52.118 flat angles C4'-P-C4' energy: -47.645 flat angles P-C4'-P energy: -23.121 tors. eta vs tors. theta energy: 3.807 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: 7 Temperature: 1.350000 Total energy: -264.743799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.743799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.743799 (E_RNA) where: Base-Base interactions energy: -106.285 where: short stacking energy: -90.523 Base-Backbone interact. energy: -0.946 local terms energy: -157.513349 where: bonds (distance) C4'-P energy: -47.567 bonds (distance) P-C4' energy: -58.537 flat angles C4'-P-C4' energy: -23.199 flat angles P-C4'-P energy: -31.572 tors. eta vs tors. theta energy: 3.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -839.489219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.489219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.489219 (E_RNA) where: Base-Base interactions energy: -535.294 where: short stacking energy: -284.833 Base-Backbone interact. energy: -1.479 local terms energy: -302.715737 where: bonds (distance) C4'-P energy: -50.437 bonds (distance) P-C4' energy: -57.196 flat angles C4'-P-C4' energy: -72.131 flat angles P-C4'-P energy: -45.949 tors. eta vs tors. theta energy: -77.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -734.840277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.840277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.840277 (E_RNA) where: Base-Base interactions energy: -440.794 where: short stacking energy: -239.009 Base-Backbone interact. energy: -0.914 local terms energy: -293.132180 where: bonds (distance) C4'-P energy: -65.364 bonds (distance) P-C4' energy: -63.653 flat angles C4'-P-C4' energy: -64.284 flat angles P-C4'-P energy: -44.662 tors. eta vs tors. theta energy: -55.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -750.577497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.577497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.577497 (E_RNA) where: Base-Base interactions energy: -469.945 where: short stacking energy: -228.483 Base-Backbone interact. energy: 0.813 local terms energy: -281.445533 where: bonds (distance) C4'-P energy: -57.898 bonds (distance) P-C4' energy: -62.441 flat angles C4'-P-C4' energy: -65.995 flat angles P-C4'-P energy: -46.587 tors. eta vs tors. theta energy: -48.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -685.869540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.869540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.869540 (E_RNA) where: Base-Base interactions energy: -413.214 where: short stacking energy: -215.786 Base-Backbone interact. energy: -0.691 local terms energy: -271.964471 where: bonds (distance) C4'-P energy: -60.391 bonds (distance) P-C4' energy: -67.616 flat angles C4'-P-C4' energy: -55.393 flat angles P-C4'-P energy: -46.662 tors. eta vs tors. theta energy: -41.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -539.342472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.342472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.342472 (E_RNA) where: Base-Base interactions energy: -282.576 where: short stacking energy: -161.906 Base-Backbone interact. energy: -1.766 local terms energy: -255.000342 where: bonds (distance) C4'-P energy: -57.180 bonds (distance) P-C4' energy: -61.276 flat angles C4'-P-C4' energy: -57.601 flat angles P-C4'-P energy: -42.138 tors. eta vs tors. theta energy: -36.805 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: 9 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -541.389783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.389783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.389783 (E_RNA) where: Base-Base interactions energy: -327.003 where: short stacking energy: -189.358 Base-Backbone interact. energy: 1.089 local terms energy: -215.476196 where: bonds (distance) C4'-P energy: -59.711 bonds (distance) P-C4' energy: -56.882 flat angles C4'-P-C4' energy: -45.342 flat angles P-C4'-P energy: -23.487 tors. eta vs tors. theta energy: -30.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -608.087061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.087061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.087061 (E_RNA) where: Base-Base interactions energy: -387.376 where: short stacking energy: -175.150 Base-Backbone interact. energy: -1.903 local terms energy: -218.807564 where: bonds (distance) C4'-P energy: -51.752 bonds (distance) P-C4' energy: -49.946 flat angles C4'-P-C4' energy: -52.144 flat angles P-C4'-P energy: -28.019 tors. eta vs tors. theta energy: -36.947 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: 5 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -444.942556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.942556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.942556 (E_RNA) where: Base-Base interactions energy: -219.003 where: short stacking energy: -140.686 Base-Backbone interact. energy: -0.941 local terms energy: -224.998262 where: bonds (distance) C4'-P energy: -58.592 bonds (distance) P-C4' energy: -60.347 flat angles C4'-P-C4' energy: -50.820 flat angles P-C4'-P energy: -42.718 tors. eta vs tors. theta energy: -12.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -320.829724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.829724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.829724 (E_RNA) where: Base-Base interactions energy: -133.046 where: short stacking energy: -89.746 Base-Backbone interact. energy: -3.180 local terms energy: -184.604543 where: bonds (distance) C4'-P energy: -59.270 bonds (distance) P-C4' energy: -57.411 flat angles C4'-P-C4' energy: -38.971 flat angles P-C4'-P energy: -29.193 tors. eta vs tors. theta energy: 0.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -305.632765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.632765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.632765 (E_RNA) where: Base-Base interactions energy: -143.000 where: short stacking energy: -84.083 Base-Backbone interact. energy: 5.131 local terms energy: -167.763635 where: bonds (distance) C4'-P energy: -56.197 bonds (distance) P-C4' energy: -50.532 flat angles C4'-P-C4' energy: -46.149 flat angles P-C4'-P energy: -21.811 tors. eta vs tors. theta energy: 6.925 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: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -853.410779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.410779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.410779 (E_RNA) where: Base-Base interactions energy: -539.837 where: short stacking energy: -269.980 Base-Backbone interact. energy: -1.373 local terms energy: -312.200194 where: bonds (distance) C4'-P energy: -67.195 bonds (distance) P-C4' energy: -67.302 flat angles C4'-P-C4' energy: -70.697 flat angles P-C4'-P energy: -38.126 tors. eta vs tors. theta energy: -68.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -764.907742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.907742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.907742 (E_RNA) where: Base-Base interactions energy: -492.713 where: short stacking energy: -254.966 Base-Backbone interact. energy: -1.070 local terms energy: -271.124915 where: bonds (distance) C4'-P energy: -55.129 bonds (distance) P-C4' energy: -60.864 flat angles C4'-P-C4' energy: -63.536 flat angles P-C4'-P energy: -41.785 tors. eta vs tors. theta energy: -49.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -764.112195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.112195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.112195 (E_RNA) where: Base-Base interactions energy: -477.889 where: short stacking energy: -234.120 Base-Backbone interact. energy: 0.382 local terms energy: -286.604762 where: bonds (distance) C4'-P energy: -61.878 bonds (distance) P-C4' energy: -63.710 flat angles C4'-P-C4' energy: -64.205 flat angles P-C4'-P energy: -42.957 tors. eta vs tors. theta energy: -53.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -737.981666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.981666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.981666 (E_RNA) where: Base-Base interactions energy: -466.249 where: short stacking energy: -234.266 Base-Backbone interact. energy: -2.544 local terms energy: -269.188297 where: bonds (distance) C4'-P energy: -62.941 bonds (distance) P-C4' energy: -58.403 flat angles C4'-P-C4' energy: -60.897 flat angles P-C4'-P energy: -33.175 tors. eta vs tors. theta energy: -53.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -550.490540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.490540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.490540 (E_RNA) where: Base-Base interactions energy: -306.244 where: short stacking energy: -175.773 Base-Backbone interact. energy: -1.173 local terms energy: -243.073373 where: bonds (distance) C4'-P energy: -59.587 bonds (distance) P-C4' energy: -53.474 flat angles C4'-P-C4' energy: -60.385 flat angles P-C4'-P energy: -38.468 tors. eta vs tors. theta energy: -31.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -633.608847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.608847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.608847 (E_RNA) where: Base-Base interactions energy: -386.976 where: short stacking energy: -196.358 Base-Backbone interact. energy: -0.480 local terms energy: -246.152795 where: bonds (distance) C4'-P energy: -65.818 bonds (distance) P-C4' energy: -50.901 flat angles C4'-P-C4' energy: -54.937 flat angles P-C4'-P energy: -40.846 tors. eta vs tors. theta energy: -33.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -564.726105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.726105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.726105 (E_RNA) where: Base-Base interactions energy: -322.264 where: short stacking energy: -165.629 Base-Backbone interact. energy: -2.380 local terms energy: -240.081954 where: bonds (distance) C4'-P energy: -59.970 bonds (distance) P-C4' energy: -54.434 flat angles C4'-P-C4' energy: -58.386 flat angles P-C4'-P energy: -32.064 tors. eta vs tors. theta energy: -35.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -447.732407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.732407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.732407 (E_RNA) where: Base-Base interactions energy: -247.303 where: short stacking energy: -138.683 Base-Backbone interact. energy: 2.305 local terms energy: -202.734391 where: bonds (distance) C4'-P energy: -52.979 bonds (distance) P-C4' energy: -56.550 flat angles C4'-P-C4' energy: -52.571 flat angles P-C4'-P energy: -27.076 tors. eta vs tors. theta energy: -13.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -298.245050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.245050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.245050 (E_RNA) where: Base-Base interactions energy: -117.988 where: short stacking energy: -88.217 Base-Backbone interact. energy: 1.685 local terms energy: -181.941616 where: bonds (distance) C4'-P energy: -46.827 bonds (distance) P-C4' energy: -60.211 flat angles C4'-P-C4' energy: -54.370 flat angles P-C4'-P energy: -34.556 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: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -302.030594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.030594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.030594 (E_RNA) where: Base-Base interactions energy: -126.030 where: short stacking energy: -98.669 Base-Backbone interact. energy: 2.148 local terms energy: -178.149158 where: bonds (distance) C4'-P energy: -43.328 bonds (distance) P-C4' energy: -58.239 flat angles C4'-P-C4' energy: -45.956 flat angles P-C4'-P energy: -34.872 tors. eta vs tors. theta energy: 4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -851.361358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.361358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.361358 (E_RNA) where: Base-Base interactions energy: -550.153 where: short stacking energy: -240.042 Base-Backbone interact. energy: -0.469 local terms energy: -300.738928 where: bonds (distance) C4'-P energy: -56.245 bonds (distance) P-C4' energy: -71.289 flat angles C4'-P-C4' energy: -73.324 flat angles P-C4'-P energy: -44.727 tors. eta vs tors. theta energy: -55.154 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: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -831.142585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.142585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.142585 (E_RNA) where: Base-Base interactions energy: -519.894 where: short stacking energy: -271.713 Base-Backbone interact. energy: -1.723 local terms energy: -309.526114 where: bonds (distance) C4'-P energy: -67.897 bonds (distance) P-C4' energy: -59.887 flat angles C4'-P-C4' energy: -67.442 flat angles P-C4'-P energy: -41.013 tors. eta vs tors. theta energy: -73.287 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: 7 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -829.811419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.811419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.811419 (E_RNA) where: Base-Base interactions energy: -553.242 where: short stacking energy: -245.325 Base-Backbone interact. energy: -1.201 local terms energy: -275.367902 where: bonds (distance) C4'-P energy: -62.466 bonds (distance) P-C4' energy: -63.095 flat angles C4'-P-C4' energy: -59.612 flat angles P-C4'-P energy: -39.618 tors. eta vs tors. theta energy: -50.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -699.617510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.617510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.617510 (E_RNA) where: Base-Base interactions energy: -460.772 where: short stacking energy: -197.377 Base-Backbone interact. energy: -2.723 local terms energy: -236.122372 where: bonds (distance) C4'-P energy: -50.163 bonds (distance) P-C4' energy: -49.902 flat angles C4'-P-C4' energy: -61.194 flat angles P-C4'-P energy: -36.589 tors. eta vs tors. theta energy: -38.274 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: 5, replica: 6 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -674.665205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.665205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.665205 (E_RNA) where: Base-Base interactions energy: -431.124 where: short stacking energy: -203.799 Base-Backbone interact. energy: -0.624 local terms energy: -242.917987 where: bonds (distance) C4'-P energy: -50.347 bonds (distance) P-C4' energy: -57.287 flat angles C4'-P-C4' energy: -48.273 flat angles P-C4'-P energy: -42.959 tors. eta vs tors. theta energy: -44.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -553.032670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.032670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.032670 (E_RNA) where: Base-Base interactions energy: -310.055 where: short stacking energy: -173.102 Base-Backbone interact. energy: 0.894 local terms energy: -243.871963 where: bonds (distance) C4'-P energy: -57.681 bonds (distance) P-C4' energy: -64.516 flat angles C4'-P-C4' energy: -63.955 flat angles P-C4'-P energy: -39.675 tors. eta vs tors. theta energy: -18.044 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: 7, replica: 9 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -579.292791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.292791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.292791 (E_RNA) where: Base-Base interactions energy: -337.976 where: short stacking energy: -181.471 Base-Backbone interact. energy: -1.503 local terms energy: -239.813076 where: bonds (distance) C4'-P energy: -49.932 bonds (distance) P-C4' energy: -59.862 flat angles C4'-P-C4' energy: -53.427 flat angles P-C4'-P energy: -37.098 tors. eta vs tors. theta energy: -39.494 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: 5 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -449.901879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.901879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.901879 (E_RNA) where: Base-Base interactions energy: -232.245 where: short stacking energy: -132.340 Base-Backbone interact. energy: -1.627 local terms energy: -216.029574 where: bonds (distance) C4'-P energy: -55.603 bonds (distance) P-C4' energy: -64.456 flat angles C4'-P-C4' energy: -46.849 flat angles P-C4'-P energy: -33.334 tors. eta vs tors. theta energy: -15.787 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: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -297.874234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.874234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.874234 (E_RNA) where: Base-Base interactions energy: -123.526 where: short stacking energy: -96.747 Base-Backbone interact. energy: -0.167 local terms energy: -174.180873 where: bonds (distance) C4'-P energy: -49.106 bonds (distance) P-C4' energy: -59.293 flat angles C4'-P-C4' energy: -55.214 flat angles P-C4'-P energy: -24.619 tors. eta vs tors. theta energy: 14.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -269.473815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.473815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.473815 (E_RNA) where: Base-Base interactions energy: -90.673 where: short stacking energy: -86.575 Base-Backbone interact. energy: -0.156 local terms energy: -178.644878 where: bonds (distance) C4'-P energy: -52.478 bonds (distance) P-C4' energy: -52.391 flat angles C4'-P-C4' energy: -58.484 flat angles P-C4'-P energy: -25.753 tors. eta vs tors. theta energy: 10.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -848.552062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.552062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.552062 (E_RNA) where: Base-Base interactions energy: -538.321 where: short stacking energy: -262.093 Base-Backbone interact. energy: -1.947 local terms energy: -308.283989 where: bonds (distance) C4'-P energy: -61.699 bonds (distance) P-C4' energy: -57.884 flat angles C4'-P-C4' energy: -76.790 flat angles P-C4'-P energy: -47.808 tors. eta vs tors. theta energy: -64.103 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: 7 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -849.547029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.547029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.547029 (E_RNA) where: Base-Base interactions energy: -559.934 where: short stacking energy: -260.945 Base-Backbone interact. energy: -0.070 local terms energy: -289.542381 where: bonds (distance) C4'-P energy: -65.583 bonds (distance) P-C4' energy: -55.449 flat angles C4'-P-C4' energy: -71.575 flat angles P-C4'-P energy: -38.620 tors. eta vs tors. theta energy: -58.315 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: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -779.182727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.182727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.182727 (E_RNA) where: Base-Base interactions energy: -474.067 where: short stacking energy: -243.765 Base-Backbone interact. energy: -1.410 local terms energy: -303.705999 where: bonds (distance) C4'-P energy: -68.548 bonds (distance) P-C4' energy: -71.466 flat angles C4'-P-C4' energy: -69.383 flat angles P-C4'-P energy: -37.869 tors. eta vs tors. theta energy: -56.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -702.833204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.833204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.833204 (E_RNA) where: Base-Base interactions energy: -436.304 where: short stacking energy: -208.051 Base-Backbone interact. energy: -2.218 local terms energy: -264.311276 where: bonds (distance) C4'-P energy: -55.635 bonds (distance) P-C4' energy: -52.556 flat angles C4'-P-C4' energy: -66.572 flat angles P-C4'-P energy: -40.847 tors. eta vs tors. theta energy: -48.702 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: 6 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -699.793524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.793524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.793524 (E_RNA) where: Base-Base interactions energy: -428.598 where: short stacking energy: -211.693 Base-Backbone interact. energy: -2.007 local terms energy: -269.188288 where: bonds (distance) C4'-P energy: -55.643 bonds (distance) P-C4' energy: -56.093 flat angles C4'-P-C4' energy: -57.553 flat angles P-C4'-P energy: -44.293 tors. eta vs tors. theta energy: -55.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -635.841972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.841972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.841972 (E_RNA) where: Base-Base interactions energy: -385.035 where: short stacking energy: -191.843 Base-Backbone interact. energy: -0.457 local terms energy: -250.350662 where: bonds (distance) C4'-P energy: -56.200 bonds (distance) P-C4' energy: -64.118 flat angles C4'-P-C4' energy: -63.343 flat angles P-C4'-P energy: -25.161 tors. eta vs tors. theta energy: -41.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -481.197443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.197443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.197443 (E_RNA) where: Base-Base interactions energy: -248.236 where: short stacking energy: -141.121 Base-Backbone interact. energy: 1.154 local terms energy: -234.116077 where: bonds (distance) C4'-P energy: -61.094 bonds (distance) P-C4' energy: -60.785 flat angles C4'-P-C4' energy: -47.431 flat angles P-C4'-P energy: -41.175 tors. eta vs tors. theta energy: -23.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -472.458811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.458811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.458811 (E_RNA) where: Base-Base interactions energy: -267.116 where: short stacking energy: -137.815 Base-Backbone interact. energy: -0.069 local terms energy: -205.274429 where: bonds (distance) C4'-P energy: -53.617 bonds (distance) P-C4' energy: -57.577 flat angles C4'-P-C4' energy: -57.301 flat angles P-C4'-P energy: -26.771 tors. eta vs tors. theta energy: -10.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -301.301960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.301960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.301960 (E_RNA) where: Base-Base interactions energy: -115.622 where: short stacking energy: -92.565 Base-Backbone interact. energy: -2.341 local terms energy: -183.339570 where: bonds (distance) C4'-P energy: -55.500 bonds (distance) P-C4' energy: -54.800 flat angles C4'-P-C4' energy: -38.208 flat angles P-C4'-P energy: -36.610 tors. eta vs tors. theta energy: 1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -292.047061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.047061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.047061 (E_RNA) where: Base-Base interactions energy: -123.221 where: short stacking energy: -101.084 Base-Backbone interact. energy: 0.441 local terms energy: -169.267721 where: bonds (distance) C4'-P energy: -57.167 bonds (distance) P-C4' energy: -47.651 flat angles C4'-P-C4' energy: -38.324 flat angles P-C4'-P energy: -25.764 tors. eta vs tors. theta energy: -0.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -863.111736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.111736 (E_RNA) where: Base-Base interactions energy: -559.946 where: short stacking energy: -267.196 Base-Backbone interact. energy: -0.545 local terms energy: -302.619843 where: bonds (distance) C4'-P energy: -67.688 bonds (distance) P-C4' energy: -64.313 flat angles C4'-P-C4' energy: -77.676 flat angles P-C4'-P energy: -38.360 tors. eta vs tors. theta energy: -54.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -889.398610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.398610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.398610 (E_RNA) where: Base-Base interactions energy: -592.271 where: short stacking energy: -272.910 Base-Backbone interact. energy: -0.142 local terms energy: -296.985189 where: bonds (distance) C4'-P energy: -60.319 bonds (distance) P-C4' energy: -61.184 flat angles C4'-P-C4' energy: -66.287 flat angles P-C4'-P energy: -39.591 tors. eta vs tors. theta energy: -69.603 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: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -781.463853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.463853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.463853 (E_RNA) where: Base-Base interactions energy: -492.598 where: short stacking energy: -251.184 Base-Backbone interact. energy: 2.028 local terms energy: -290.893734 where: bonds (distance) C4'-P energy: -59.474 bonds (distance) P-C4' energy: -60.881 flat angles C4'-P-C4' energy: -67.444 flat angles P-C4'-P energy: -37.430 tors. eta vs tors. theta energy: -65.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -762.531749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.531749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.531749 (E_RNA) where: Base-Base interactions energy: -500.439 where: short stacking energy: -245.241 Base-Backbone interact. energy: -1.958 local terms energy: -260.133920 where: bonds (distance) C4'-P energy: -58.240 bonds (distance) P-C4' energy: -61.203 flat angles C4'-P-C4' energy: -55.188 flat angles P-C4'-P energy: -37.459 tors. eta vs tors. theta energy: -48.044 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: 9 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -652.902232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.902232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.902232 (E_RNA) where: Base-Base interactions energy: -401.354 where: short stacking energy: -195.825 Base-Backbone interact. energy: -1.032 local terms energy: -250.516093 where: bonds (distance) C4'-P energy: -47.308 bonds (distance) P-C4' energy: -60.862 flat angles C4'-P-C4' energy: -70.612 flat angles P-C4'-P energy: -40.226 tors. eta vs tors. theta energy: -31.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -645.980429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.980429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.980429 (E_RNA) where: Base-Base interactions energy: -395.976 where: short stacking energy: -199.788 Base-Backbone interact. energy: -1.610 local terms energy: -248.394749 where: bonds (distance) C4'-P energy: -58.580 bonds (distance) P-C4' energy: -46.528 flat angles C4'-P-C4' energy: -57.039 flat angles P-C4'-P energy: -45.275 tors. eta vs tors. theta energy: -40.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -541.674567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.674567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.674567 (E_RNA) where: Base-Base interactions energy: -320.338 where: short stacking energy: -151.033 Base-Backbone interact. energy: 3.198 local terms energy: -224.535020 where: bonds (distance) C4'-P energy: -39.388 bonds (distance) P-C4' energy: -63.628 flat angles C4'-P-C4' energy: -64.461 flat angles P-C4'-P energy: -31.751 tors. eta vs tors. theta energy: -25.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -390.157015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.157015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.157015 (E_RNA) where: Base-Base interactions energy: -176.124 where: short stacking energy: -99.114 Base-Backbone interact. energy: -0.784 local terms energy: -213.249368 where: bonds (distance) C4'-P energy: -49.854 bonds (distance) P-C4' energy: -70.026 flat angles C4'-P-C4' energy: -65.725 flat angles P-C4'-P energy: -23.465 tors. eta vs tors. theta energy: -4.180 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: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -286.965850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.965850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.965850 (E_RNA) where: Base-Base interactions energy: -100.261 where: short stacking energy: -78.820 Base-Backbone interact. energy: 2.439 local terms energy: -189.144330 where: bonds (distance) C4'-P energy: -48.622 bonds (distance) P-C4' energy: -55.845 flat angles C4'-P-C4' energy: -50.044 flat angles P-C4'-P energy: -35.365 tors. eta vs tors. theta energy: 0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -274.451634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.451634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.451634 (E_RNA) where: Base-Base interactions energy: -93.840 where: short stacking energy: -88.575 Base-Backbone interact. energy: -0.934 local terms energy: -179.677989 where: bonds (distance) C4'-P energy: -39.635 bonds (distance) P-C4' energy: -59.472 flat angles C4'-P-C4' energy: -47.396 flat angles P-C4'-P energy: -30.687 tors. eta vs tors. theta energy: -2.487 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: 1, replica: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -890.185241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.185241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.185241 (E_RNA) where: Base-Base interactions energy: -580.420 where: short stacking energy: -261.875 Base-Backbone interact. energy: -1.558 local terms energy: -308.207755 where: bonds (distance) C4'-P energy: -65.227 bonds (distance) P-C4' energy: -68.792 flat angles C4'-P-C4' energy: -72.737 flat angles P-C4'-P energy: -38.057 tors. eta vs tors. theta energy: -63.396 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: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -863.652027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.652027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.652027 (E_RNA) where: Base-Base interactions energy: -557.692 where: short stacking energy: -254.590 Base-Backbone interact. energy: 2.478 local terms energy: -308.438555 where: bonds (distance) C4'-P energy: -63.979 bonds (distance) P-C4' energy: -65.540 flat angles C4'-P-C4' energy: -72.333 flat angles P-C4'-P energy: -42.440 tors. eta vs tors. theta energy: -64.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -781.763479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.763479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.763479 (E_RNA) where: Base-Base interactions energy: -486.233 where: short stacking energy: -251.495 Base-Backbone interact. energy: 0.993 local terms energy: -296.523160 where: bonds (distance) C4'-P energy: -58.468 bonds (distance) P-C4' energy: -57.544 flat angles C4'-P-C4' energy: -69.046 flat angles P-C4'-P energy: -42.535 tors. eta vs tors. theta energy: -68.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -751.780941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.780941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.780941 (E_RNA) where: Base-Base interactions energy: -471.994 where: short stacking energy: -202.275 Base-Backbone interact. energy: 1.791 local terms energy: -281.577997 where: bonds (distance) C4'-P energy: -64.566 bonds (distance) P-C4' energy: -57.620 flat angles C4'-P-C4' energy: -64.277 flat angles P-C4'-P energy: -40.376 tors. eta vs tors. theta energy: -54.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -654.102915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.102915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.102915 (E_RNA) where: Base-Base interactions energy: -421.731 where: short stacking energy: -205.614 Base-Backbone interact. energy: -0.458 local terms energy: -231.913709 where: bonds (distance) C4'-P energy: -57.526 bonds (distance) P-C4' energy: -36.178 flat angles C4'-P-C4' energy: -55.877 flat angles P-C4'-P energy: -40.246 tors. eta vs tors. theta energy: -42.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -650.239127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.239127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.239127 (E_RNA) where: Base-Base interactions energy: -398.903 where: short stacking energy: -205.450 Base-Backbone interact. energy: -0.782 local terms energy: -250.554641 where: bonds (distance) C4'-P energy: -57.266 bonds (distance) P-C4' energy: -65.422 flat angles C4'-P-C4' energy: -50.628 flat angles P-C4'-P energy: -33.342 tors. eta vs tors. theta energy: -43.896 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: 5 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -559.386110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.386110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.386110 (E_RNA) where: Base-Base interactions energy: -340.046 where: short stacking energy: -158.601 Base-Backbone interact. energy: 0.052 local terms energy: -219.392045 where: bonds (distance) C4'-P energy: -50.924 bonds (distance) P-C4' energy: -44.376 flat angles C4'-P-C4' energy: -58.706 flat angles P-C4'-P energy: -41.158 tors. eta vs tors. theta energy: -24.228 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: 2 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -412.806956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.806956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.806956 (E_RNA) where: Base-Base interactions energy: -210.927 where: short stacking energy: -99.351 Base-Backbone interact. energy: -3.391 local terms energy: -198.489708 where: bonds (distance) C4'-P energy: -52.242 bonds (distance) P-C4' energy: -60.559 flat angles C4'-P-C4' energy: -37.717 flat angles P-C4'-P energy: -43.900 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: 9, replica: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -301.317314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.317314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.317314 (E_RNA) where: Base-Base interactions energy: -110.759 where: short stacking energy: -85.762 Base-Backbone interact. energy: -1.334 local terms energy: -189.224429 where: bonds (distance) C4'-P energy: -58.176 bonds (distance) P-C4' energy: -59.527 flat angles C4'-P-C4' energy: -47.095 flat angles P-C4'-P energy: -27.642 tors. eta vs tors. theta energy: 3.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -305.644137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.644137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.644137 (E_RNA) where: Base-Base interactions energy: -106.102 where: short stacking energy: -90.527 Base-Backbone interact. energy: -0.572 local terms energy: -198.970221 where: bonds (distance) C4'-P energy: -53.568 bonds (distance) P-C4' energy: -56.046 flat angles C4'-P-C4' energy: -43.648 flat angles P-C4'-P energy: -29.886 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: 1, replica: 7 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -906.362907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.362907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.362907 (E_RNA) where: Base-Base interactions energy: -604.673 where: short stacking energy: -260.311 Base-Backbone interact. energy: -1.538 local terms energy: -300.152130 where: bonds (distance) C4'-P energy: -62.916 bonds (distance) P-C4' energy: -63.217 flat angles C4'-P-C4' energy: -62.993 flat angles P-C4'-P energy: -48.079 tors. eta vs tors. theta energy: -62.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -893.073856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.073856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.073856 (E_RNA) where: Base-Base interactions energy: -600.576 where: short stacking energy: -257.896 Base-Backbone interact. energy: -1.062 local terms energy: -291.435178 where: bonds (distance) C4'-P energy: -51.849 bonds (distance) P-C4' energy: -66.994 flat angles C4'-P-C4' energy: -65.673 flat angles P-C4'-P energy: -48.274 tors. eta vs tors. theta energy: -58.645 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: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -819.077365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.077365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.077365 (E_RNA) where: Base-Base interactions energy: -530.996 where: short stacking energy: -243.235 Base-Backbone interact. energy: -0.851 local terms energy: -287.229583 where: bonds (distance) C4'-P energy: -56.818 bonds (distance) P-C4' energy: -53.247 flat angles C4'-P-C4' energy: -64.060 flat angles P-C4'-P energy: -44.527 tors. eta vs tors. theta energy: -68.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -747.968728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.968728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.968728 (E_RNA) where: Base-Base interactions energy: -479.655 where: short stacking energy: -203.044 Base-Backbone interact. energy: 1.868 local terms energy: -270.181226 where: bonds (distance) C4'-P energy: -53.217 bonds (distance) P-C4' energy: -58.628 flat angles C4'-P-C4' energy: -66.635 flat angles P-C4'-P energy: -49.276 tors. eta vs tors. theta energy: -42.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -725.535057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.535057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.535057 (E_RNA) where: Base-Base interactions energy: -457.208 where: short stacking energy: -243.478 Base-Backbone interact. energy: -0.411 local terms energy: -267.916541 where: bonds (distance) C4'-P energy: -53.704 bonds (distance) P-C4' energy: -52.534 flat angles C4'-P-C4' energy: -63.781 flat angles P-C4'-P energy: -42.539 tors. eta vs tors. theta energy: -55.359 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: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -645.900648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.900648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.900648 (E_RNA) where: Base-Base interactions energy: -389.452 where: short stacking energy: -208.055 Base-Backbone interact. energy: -0.509 local terms energy: -255.939937 where: bonds (distance) C4'-P energy: -48.697 bonds (distance) P-C4' energy: -61.037 flat angles C4'-P-C4' energy: -58.992 flat angles P-C4'-P energy: -41.710 tors. eta vs tors. theta energy: -45.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -610.794620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.794620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.794620 (E_RNA) where: Base-Base interactions energy: -391.538 where: short stacking energy: -179.926 Base-Backbone interact. energy: 2.894 local terms energy: -222.150648 where: bonds (distance) C4'-P energy: -58.437 bonds (distance) P-C4' energy: -48.609 flat angles C4'-P-C4' energy: -55.958 flat angles P-C4'-P energy: -32.406 tors. eta vs tors. theta energy: -26.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -420.644568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.644568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.644568 (E_RNA) where: Base-Base interactions energy: -191.870 where: short stacking energy: -127.955 Base-Backbone interact. energy: -0.779 local terms energy: -227.995681 where: bonds (distance) C4'-P energy: -60.829 bonds (distance) P-C4' energy: -59.518 flat angles C4'-P-C4' energy: -63.953 flat angles P-C4'-P energy: -35.849 tors. eta vs tors. theta energy: -7.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -335.173786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.173786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.173786 (E_RNA) where: Base-Base interactions energy: -136.286 where: short stacking energy: -99.733 Base-Backbone interact. energy: 0.366 local terms energy: -199.253976 where: bonds (distance) C4'-P energy: -50.767 bonds (distance) P-C4' energy: -61.608 flat angles C4'-P-C4' energy: -51.498 flat angles P-C4'-P energy: -30.907 tors. eta vs tors. theta energy: -4.475 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: 14 Temperature: 1.350000 Total energy: -267.844435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.844435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.844435 (E_RNA) where: Base-Base interactions energy: -93.076 where: short stacking energy: -82.679 Base-Backbone interact. energy: -1.657 local terms energy: -173.111359 where: bonds (distance) C4'-P energy: -52.119 bonds (distance) P-C4' energy: -63.519 flat angles C4'-P-C4' energy: -41.833 flat angles P-C4'-P energy: -21.201 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: 1, replica: 7 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -904.412866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.412866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.412866 (E_RNA) where: Base-Base interactions energy: -585.352 where: short stacking energy: -263.327 Base-Backbone interact. energy: -4.227 local terms energy: -314.834398 where: bonds (distance) C4'-P energy: -62.019 bonds (distance) P-C4' energy: -68.143 flat angles C4'-P-C4' energy: -72.447 flat angles P-C4'-P energy: -52.795 tors. eta vs tors. theta energy: -59.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -889.975199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.975199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.975199 (E_RNA) where: Base-Base interactions energy: -576.919 where: short stacking energy: -288.714 Base-Backbone interact. energy: -0.743 local terms energy: -312.313251 where: bonds (distance) C4'-P energy: -66.373 bonds (distance) P-C4' energy: -70.676 flat angles C4'-P-C4' energy: -65.339 flat angles P-C4'-P energy: -38.294 tors. eta vs tors. theta energy: -71.632 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: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -853.126127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.126127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.126127 (E_RNA) where: Base-Base interactions energy: -550.517 where: short stacking energy: -237.143 Base-Backbone interact. energy: -1.782 local terms energy: -300.826606 where: bonds (distance) C4'-P energy: -61.430 bonds (distance) P-C4' energy: -59.399 flat angles C4'-P-C4' energy: -75.401 flat angles P-C4'-P energy: -33.038 tors. eta vs tors. theta energy: -71.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -773.457298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.457298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.457298 (E_RNA) where: Base-Base interactions energy: -507.187 where: short stacking energy: -227.893 Base-Backbone interact. energy: 0.784 local terms energy: -267.053686 where: bonds (distance) C4'-P energy: -49.579 bonds (distance) P-C4' energy: -61.920 flat angles C4'-P-C4' energy: -60.685 flat angles P-C4'-P energy: -37.354 tors. eta vs tors. theta energy: -57.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -750.065388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.065388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.065388 (E_RNA) where: Base-Base interactions energy: -466.544 where: short stacking energy: -229.025 Base-Backbone interact. energy: -3.813 local terms energy: -279.708780 where: bonds (distance) C4'-P energy: -58.676 bonds (distance) P-C4' energy: -63.282 flat angles C4'-P-C4' energy: -66.249 flat angles P-C4'-P energy: -29.525 tors. eta vs tors. theta energy: -61.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -652.628378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.628378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.628378 (E_RNA) where: Base-Base interactions energy: -412.174 where: short stacking energy: -203.720 Base-Backbone interact. energy: -0.977 local terms energy: -239.476754 where: bonds (distance) C4'-P energy: -56.837 bonds (distance) P-C4' energy: -52.736 flat angles C4'-P-C4' energy: -55.636 flat angles P-C4'-P energy: -39.704 tors. eta vs tors. theta energy: -34.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -612.313736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.313736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.313736 (E_RNA) where: Base-Base interactions energy: -385.399 where: short stacking energy: -180.071 Base-Backbone interact. energy: -0.094 local terms energy: -226.820789 where: bonds (distance) C4'-P energy: -54.684 bonds (distance) P-C4' energy: -56.076 flat angles C4'-P-C4' energy: -56.490 flat angles P-C4'-P energy: -32.453 tors. eta vs tors. theta energy: -27.118 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: 2 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -442.757576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.757576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.757576 (E_RNA) where: Base-Base interactions energy: -242.752 where: short stacking energy: -129.063 Base-Backbone interact. energy: -0.883 local terms energy: -199.122397 where: bonds (distance) C4'-P energy: -54.775 bonds (distance) P-C4' energy: -58.251 flat angles C4'-P-C4' energy: -49.480 flat angles P-C4'-P energy: -30.540 tors. eta vs tors. theta energy: -6.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -338.313358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.313358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.313358 (E_RNA) where: Base-Base interactions energy: -164.789 where: short stacking energy: -102.026 Base-Backbone interact. energy: 3.294 local terms energy: -176.818173 where: bonds (distance) C4'-P energy: -56.290 bonds (distance) P-C4' energy: -42.867 flat angles C4'-P-C4' energy: -46.039 flat angles P-C4'-P energy: -29.422 tors. eta vs tors. theta energy: -2.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -291.703998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.703998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.703998 (E_RNA) where: Base-Base interactions energy: -115.593 where: short stacking energy: -103.154 Base-Backbone interact. energy: -0.269 local terms energy: -175.841343 where: bonds (distance) C4'-P energy: -53.231 bonds (distance) P-C4' energy: -56.350 flat angles C4'-P-C4' energy: -39.772 flat angles P-C4'-P energy: -27.091 tors. eta vs tors. theta energy: 0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -898.739382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.739382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.739382 (E_RNA) where: Base-Base interactions energy: -582.038 where: short stacking energy: -272.159 Base-Backbone interact. energy: -2.074 local terms energy: -314.627307 where: bonds (distance) C4'-P energy: -67.924 bonds (distance) P-C4' energy: -69.047 flat angles C4'-P-C4' energy: -69.446 flat angles P-C4'-P energy: -39.017 tors. eta vs tors. theta energy: -69.193 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: 7 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -851.633636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.633636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.633636 (E_RNA) where: Base-Base interactions energy: -577.782 where: short stacking energy: -257.343 Base-Backbone interact. energy: -1.343 local terms energy: -272.507690 where: bonds (distance) C4'-P energy: -55.133 bonds (distance) P-C4' energy: -55.445 flat angles C4'-P-C4' energy: -65.662 flat angles P-C4'-P energy: -48.833 tors. eta vs tors. theta energy: -47.435 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: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -824.526843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.526843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.526843 (E_RNA) where: Base-Base interactions energy: -528.541 where: short stacking energy: -234.527 Base-Backbone interact. energy: -1.211 local terms energy: -294.775144 where: bonds (distance) C4'-P energy: -54.484 bonds (distance) P-C4' energy: -66.218 flat angles C4'-P-C4' energy: -74.084 flat angles P-C4'-P energy: -33.853 tors. eta vs tors. theta energy: -66.137 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: 4 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -744.598491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.598491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.598491 (E_RNA) where: Base-Base interactions energy: -477.163 where: short stacking energy: -230.367 Base-Backbone interact. energy: -1.114 local terms energy: -266.320685 where: bonds (distance) C4'-P energy: -54.248 bonds (distance) P-C4' energy: -63.669 flat angles C4'-P-C4' energy: -62.372 flat angles P-C4'-P energy: -40.440 tors. eta vs tors. theta energy: -45.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -685.003889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.003889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.003889 (E_RNA) where: Base-Base interactions energy: -412.581 where: short stacking energy: -206.785 Base-Backbone interact. energy: -1.468 local terms energy: -270.955283 where: bonds (distance) C4'-P energy: -48.631 bonds (distance) P-C4' energy: -67.873 flat angles C4'-P-C4' energy: -67.011 flat angles P-C4'-P energy: -39.962 tors. eta vs tors. theta energy: -47.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -682.390407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.390407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.390407 (E_RNA) where: Base-Base interactions energy: -446.127 where: short stacking energy: -246.926 Base-Backbone interact. energy: 1.588 local terms energy: -237.850780 where: bonds (distance) C4'-P energy: -39.336 bonds (distance) P-C4' energy: -53.550 flat angles C4'-P-C4' energy: -61.334 flat angles P-C4'-P energy: -36.828 tors. eta vs tors. theta energy: -46.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -583.719152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.719152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.719152 (E_RNA) where: Base-Base interactions energy: -356.578 where: short stacking energy: -172.494 Base-Backbone interact. energy: -0.980 local terms energy: -226.160952 where: bonds (distance) C4'-P energy: -57.130 bonds (distance) P-C4' energy: -51.098 flat angles C4'-P-C4' energy: -57.120 flat angles P-C4'-P energy: -28.442 tors. eta vs tors. theta energy: -32.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -486.092831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.092831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.092831 (E_RNA) where: Base-Base interactions energy: -275.537 where: short stacking energy: -143.560 Base-Backbone interact. energy: 1.595 local terms energy: -212.150453 where: bonds (distance) C4'-P energy: -37.560 bonds (distance) P-C4' energy: -54.432 flat angles C4'-P-C4' energy: -61.611 flat angles P-C4'-P energy: -46.059 tors. eta vs tors. theta energy: -12.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -311.245412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.245412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.245412 (E_RNA) where: Base-Base interactions energy: -112.735 where: short stacking energy: -96.000 Base-Backbone interact. energy: 2.972 local terms energy: -201.482541 where: bonds (distance) C4'-P energy: -50.793 bonds (distance) P-C4' energy: -55.457 flat angles C4'-P-C4' energy: -57.018 flat angles P-C4'-P energy: -25.289 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: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -272.782751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.782751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.782751 (E_RNA) where: Base-Base interactions energy: -115.077 where: short stacking energy: -93.242 Base-Backbone interact. energy: 1.173 local terms energy: -158.878348 where: bonds (distance) C4'-P energy: -36.151 bonds (distance) P-C4' energy: -60.536 flat angles C4'-P-C4' energy: -45.348 flat angles P-C4'-P energy: -20.678 tors. eta vs tors. theta energy: 3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -915.614713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.614713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.614713 (E_RNA) where: Base-Base interactions energy: -588.966 where: short stacking energy: -291.911 Base-Backbone interact. energy: -1.115 local terms energy: -325.533534 where: bonds (distance) C4'-P energy: -65.302 bonds (distance) P-C4' energy: -69.605 flat angles C4'-P-C4' energy: -75.079 flat angles P-C4'-P energy: -33.813 tors. eta vs tors. theta energy: -81.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -843.569675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.569675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.569675 (E_RNA) where: Base-Base interactions energy: -567.953 where: short stacking energy: -247.374 Base-Backbone interact. energy: -0.689 local terms energy: -274.927299 where: bonds (distance) C4'-P energy: -68.049 bonds (distance) P-C4' energy: -56.971 flat angles C4'-P-C4' energy: -58.733 flat angles P-C4'-P energy: -43.627 tors. eta vs tors. theta energy: -47.547 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: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -813.531946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.531946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.531946 (E_RNA) where: Base-Base interactions energy: -526.504 where: short stacking energy: -255.601 Base-Backbone interact. energy: -2.808 local terms energy: -284.219886 where: bonds (distance) C4'-P energy: -59.768 bonds (distance) P-C4' energy: -56.299 flat angles C4'-P-C4' energy: -60.919 flat angles P-C4'-P energy: -35.640 tors. eta vs tors. theta energy: -71.594 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: 5 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -782.428343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.428343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.428343 (E_RNA) where: Base-Base interactions energy: -490.370 where: short stacking energy: -243.908 Base-Backbone interact. energy: -1.093 local terms energy: -290.965742 where: bonds (distance) C4'-P energy: -53.785 bonds (distance) P-C4' energy: -60.381 flat angles C4'-P-C4' energy: -68.985 flat angles P-C4'-P energy: -43.641 tors. eta vs tors. theta energy: -64.174 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: 4 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -721.908727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.908727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.908727 (E_RNA) where: Base-Base interactions energy: -452.230 where: short stacking energy: -222.835 Base-Backbone interact. energy: -0.227 local terms energy: -269.452342 where: bonds (distance) C4'-P energy: -62.622 bonds (distance) P-C4' energy: -55.084 flat angles C4'-P-C4' energy: -56.219 flat angles P-C4'-P energy: -40.712 tors. eta vs tors. theta energy: -54.815 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: 9 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -681.163822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.163822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.163822 (E_RNA) where: Base-Base interactions energy: -435.721 where: short stacking energy: -221.546 Base-Backbone interact. energy: -0.324 local terms energy: -245.118761 where: bonds (distance) C4'-P energy: -60.730 bonds (distance) P-C4' energy: -58.921 flat angles C4'-P-C4' energy: -46.788 flat angles P-C4'-P energy: -30.231 tors. eta vs tors. theta energy: -48.449 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: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -595.182284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.182284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.182284 (E_RNA) where: Base-Base interactions energy: -353.109 where: short stacking energy: -185.865 Base-Backbone interact. energy: -1.075 local terms energy: -240.998179 where: bonds (distance) C4'-P energy: -49.182 bonds (distance) P-C4' energy: -55.732 flat angles C4'-P-C4' energy: -68.402 flat angles P-C4'-P energy: -34.144 tors. eta vs tors. theta energy: -33.538 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: 2 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -521.840535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.840535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.840535 (E_RNA) where: Base-Base interactions energy: -296.879 where: short stacking energy: -147.567 Base-Backbone interact. energy: -0.872 local terms energy: -224.090432 where: bonds (distance) C4'-P energy: -53.730 bonds (distance) P-C4' energy: -52.658 flat angles C4'-P-C4' energy: -56.808 flat angles P-C4'-P energy: -34.276 tors. eta vs tors. theta energy: -26.618 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: 8 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -310.128510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.128510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.128510 (E_RNA) where: Base-Base interactions energy: -118.945 where: short stacking energy: -94.700 Base-Backbone interact. energy: -1.275 local terms energy: -189.908433 where: bonds (distance) C4'-P energy: -62.784 bonds (distance) P-C4' energy: -57.215 flat angles C4'-P-C4' energy: -39.430 flat angles P-C4'-P energy: -36.655 tors. eta vs tors. theta energy: 6.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -306.248680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.248680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.248680 (E_RNA) where: Base-Base interactions energy: -127.371 where: short stacking energy: -85.132 Base-Backbone interact. energy: 2.526 local terms energy: -181.403108 where: bonds (distance) C4'-P energy: -47.442 bonds (distance) P-C4' energy: -51.458 flat angles C4'-P-C4' energy: -61.471 flat angles P-C4'-P energy: -31.076 tors. eta vs tors. theta energy: 10.045 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: 1, replica: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -912.714684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.714684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.714684 (E_RNA) where: Base-Base interactions energy: -592.859 where: short stacking energy: -286.556 Base-Backbone interact. energy: -2.475 local terms energy: -317.380608 where: bonds (distance) C4'-P energy: -67.980 bonds (distance) P-C4' energy: -58.170 flat angles C4'-P-C4' energy: -69.271 flat angles P-C4'-P energy: -38.759 tors. eta vs tors. theta energy: -83.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -874.330362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.330362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.330362 (E_RNA) where: Base-Base interactions energy: -575.994 where: short stacking energy: -249.384 Base-Backbone interact. energy: -0.432 local terms energy: -297.904296 where: bonds (distance) C4'-P energy: -63.859 bonds (distance) P-C4' energy: -69.299 flat angles C4'-P-C4' energy: -68.633 flat angles P-C4'-P energy: -41.660 tors. eta vs tors. theta energy: -54.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -785.684219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.684219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.684219 (E_RNA) where: Base-Base interactions energy: -478.265 where: short stacking energy: -233.009 Base-Backbone interact. energy: -1.447 local terms energy: -305.972228 where: bonds (distance) C4'-P energy: -54.060 bonds (distance) P-C4' energy: -74.148 flat angles C4'-P-C4' energy: -66.452 flat angles P-C4'-P energy: -51.969 tors. eta vs tors. theta energy: -59.343 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: 18 Temperature: 1.050000 Total energy: -783.077344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.077344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.077344 (E_RNA) where: Base-Base interactions energy: -507.137 where: short stacking energy: -240.574 Base-Backbone interact. energy: -1.455 local terms energy: -274.484915 where: bonds (distance) C4'-P energy: -61.272 bonds (distance) P-C4' energy: -63.875 flat angles C4'-P-C4' energy: -63.585 flat angles P-C4'-P energy: -29.614 tors. eta vs tors. theta energy: -56.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -690.357494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.357494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.357494 (E_RNA) where: Base-Base interactions energy: -414.232 where: short stacking energy: -212.661 Base-Backbone interact. energy: 0.146 local terms energy: -276.271450 where: bonds (distance) C4'-P energy: -57.369 bonds (distance) P-C4' energy: -65.447 flat angles C4'-P-C4' energy: -65.613 flat angles P-C4'-P energy: -42.718 tors. eta vs tors. theta energy: -45.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -673.367583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.367583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.367583 (E_RNA) where: Base-Base interactions energy: -444.663 where: short stacking energy: -176.947 Base-Backbone interact. energy: 0.984 local terms energy: -229.688914 where: bonds (distance) C4'-P energy: -47.009 bonds (distance) P-C4' energy: -52.295 flat angles C4'-P-C4' energy: -56.119 flat angles P-C4'-P energy: -35.548 tors. eta vs tors. theta energy: -38.719 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: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -606.478666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.478666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.478666 (E_RNA) where: Base-Base interactions energy: -371.466 where: short stacking energy: -175.569 Base-Backbone interact. energy: -0.642 local terms energy: -234.370935 where: bonds (distance) C4'-P energy: -52.715 bonds (distance) P-C4' energy: -64.405 flat angles C4'-P-C4' energy: -52.675 flat angles P-C4'-P energy: -32.397 tors. eta vs tors. theta energy: -32.178 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: 2 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -447.388117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.388117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.388117 (E_RNA) where: Base-Base interactions energy: -235.769 where: short stacking energy: -149.484 Base-Backbone interact. energy: 0.211 local terms energy: -211.829260 where: bonds (distance) C4'-P energy: -56.175 bonds (distance) P-C4' energy: -52.199 flat angles C4'-P-C4' energy: -49.560 flat angles P-C4'-P energy: -32.698 tors. eta vs tors. theta energy: -21.197 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: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -381.370963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.370963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.370963 (E_RNA) where: Base-Base interactions energy: -184.336 where: short stacking energy: -97.500 Base-Backbone interact. energy: -1.553 local terms energy: -195.481640 where: bonds (distance) C4'-P energy: -49.739 bonds (distance) P-C4' energy: -59.703 flat angles C4'-P-C4' energy: -45.860 flat angles P-C4'-P energy: -41.950 tors. eta vs tors. theta energy: 1.770 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: 8 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -289.586508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.586508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.586508 (E_RNA) where: Base-Base interactions energy: -98.132 where: short stacking energy: -67.506 Base-Backbone interact. energy: -1.304 local terms energy: -190.150641 where: bonds (distance) C4'-P energy: -51.644 bonds (distance) P-C4' energy: -63.738 flat angles C4'-P-C4' energy: -44.396 flat angles P-C4'-P energy: -31.940 tors. eta vs tors. theta energy: 1.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -920.266199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.266199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.266199 (E_RNA) where: Base-Base interactions energy: -583.444 where: short stacking energy: -299.681 Base-Backbone interact. energy: -1.396 local terms energy: -335.426159 where: bonds (distance) C4'-P energy: -64.255 bonds (distance) P-C4' energy: -69.120 flat angles C4'-P-C4' energy: -72.669 flat angles P-C4'-P energy: -38.423 tors. eta vs tors. theta energy: -90.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -865.147348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.147348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.147348 (E_RNA) where: Base-Base interactions energy: -583.118 where: short stacking energy: -258.887 Base-Backbone interact. energy: 1.890 local terms energy: -283.919899 where: bonds (distance) C4'-P energy: -67.940 bonds (distance) P-C4' energy: -61.337 flat angles C4'-P-C4' energy: -65.619 flat angles P-C4'-P energy: -25.055 tors. eta vs tors. theta energy: -63.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -812.714842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.714842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.714842 (E_RNA) where: Base-Base interactions energy: -530.135 where: short stacking energy: -266.028 Base-Backbone interact. energy: 0.164 local terms energy: -282.744059 where: bonds (distance) C4'-P energy: -59.185 bonds (distance) P-C4' energy: -59.445 flat angles C4'-P-C4' energy: -69.975 flat angles P-C4'-P energy: -38.327 tors. eta vs tors. theta energy: -55.812 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: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -784.951401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.951401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.951401 (E_RNA) where: Base-Base interactions energy: -499.753 where: short stacking energy: -238.087 Base-Backbone interact. energy: -1.605 local terms energy: -283.593927 where: bonds (distance) C4'-P energy: -61.665 bonds (distance) P-C4' energy: -67.269 flat angles C4'-P-C4' energy: -66.421 flat angles P-C4'-P energy: -35.085 tors. eta vs tors. theta energy: -53.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -741.029865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.029865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.029865 (E_RNA) where: Base-Base interactions energy: -461.246 where: short stacking energy: -219.997 Base-Backbone interact. energy: 1.947 local terms energy: -281.730568 where: bonds (distance) C4'-P energy: -60.512 bonds (distance) P-C4' energy: -69.249 flat angles C4'-P-C4' energy: -64.017 flat angles P-C4'-P energy: -35.934 tors. eta vs tors. theta energy: -52.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -685.539957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.539957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.539957 (E_RNA) where: Base-Base interactions energy: -434.402 where: short stacking energy: -193.800 Base-Backbone interact. energy: -2.050 local terms energy: -249.088158 where: bonds (distance) C4'-P energy: -53.009 bonds (distance) P-C4' energy: -55.213 flat angles C4'-P-C4' energy: -60.379 flat angles P-C4'-P energy: -37.994 tors. eta vs tors. theta energy: -42.492 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: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -632.112397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.112397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.112397 (E_RNA) where: Base-Base interactions energy: -388.831 where: short stacking energy: -206.060 Base-Backbone interact. energy: -0.475 local terms energy: -242.806167 where: bonds (distance) C4'-P energy: -37.730 bonds (distance) P-C4' energy: -58.536 flat angles C4'-P-C4' energy: -56.969 flat angles P-C4'-P energy: -44.029 tors. eta vs tors. theta energy: -45.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -506.496872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.496872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.496872 (E_RNA) where: Base-Base interactions energy: -294.060 where: short stacking energy: -157.924 Base-Backbone interact. energy: 0.938 local terms energy: -213.375340 where: bonds (distance) C4'-P energy: -53.835 bonds (distance) P-C4' energy: -53.287 flat angles C4'-P-C4' energy: -45.007 flat angles P-C4'-P energy: -26.762 tors. eta vs tors. theta energy: -34.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -360.487126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.487126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.487126 (E_RNA) where: Base-Base interactions energy: -186.279 where: short stacking energy: -100.711 Base-Backbone interact. energy: 2.888 local terms energy: -177.096459 where: bonds (distance) C4'-P energy: -50.018 bonds (distance) P-C4' energy: -53.759 flat angles C4'-P-C4' energy: -42.565 flat angles P-C4'-P energy: -26.684 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: 10, replica: 8 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -293.114850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.114850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.114850 (E_RNA) where: Base-Base interactions energy: -102.438 where: short stacking energy: -95.874 Base-Backbone interact. energy: 2.442 local terms energy: -193.118345 where: bonds (distance) C4'-P energy: -56.758 bonds (distance) P-C4' energy: -53.730 flat angles C4'-P-C4' energy: -45.318 flat angles P-C4'-P energy: -40.442 tors. eta vs tors. theta energy: 3.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -930.690705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.690705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.690705 (E_RNA) where: Base-Base interactions energy: -606.650 where: short stacking energy: -284.935 Base-Backbone interact. energy: -2.210 local terms energy: -321.830258 where: bonds (distance) C4'-P energy: -65.349 bonds (distance) P-C4' energy: -61.708 flat angles C4'-P-C4' energy: -70.479 flat angles P-C4'-P energy: -48.942 tors. eta vs tors. theta energy: -75.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -870.836215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.836215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.836215 (E_RNA) where: Base-Base interactions energy: -566.504 where: short stacking energy: -260.360 Base-Backbone interact. energy: -0.945 local terms energy: -303.387322 where: bonds (distance) C4'-P energy: -65.046 bonds (distance) P-C4' energy: -59.705 flat angles C4'-P-C4' energy: -68.841 flat angles P-C4'-P energy: -41.507 tors. eta vs tors. theta energy: -68.288 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: 1 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -851.886030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.886030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.886030 (E_RNA) where: Base-Base interactions energy: -547.448 where: short stacking energy: -259.409 Base-Backbone interact. energy: -1.262 local terms energy: -303.175780 where: bonds (distance) C4'-P energy: -58.064 bonds (distance) P-C4' energy: -69.849 flat angles C4'-P-C4' energy: -66.613 flat angles P-C4'-P energy: -42.055 tors. eta vs tors. theta energy: -66.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -786.636743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.636743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.636743 (E_RNA) where: Base-Base interactions energy: -484.069 where: short stacking energy: -253.392 Base-Backbone interact. energy: 0.537 local terms energy: -303.104227 where: bonds (distance) C4'-P energy: -62.331 bonds (distance) P-C4' energy: -64.835 flat angles C4'-P-C4' energy: -68.736 flat angles P-C4'-P energy: -37.497 tors. eta vs tors. theta energy: -69.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -737.613644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.613644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.613644 (E_RNA) where: Base-Base interactions energy: -464.502 where: short stacking energy: -223.998 Base-Backbone interact. energy: -1.899 local terms energy: -271.212767 where: bonds (distance) C4'-P energy: -60.491 bonds (distance) P-C4' energy: -55.803 flat angles C4'-P-C4' energy: -72.096 flat angles P-C4'-P energy: -35.426 tors. eta vs tors. theta energy: -47.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -762.661470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.661470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.661470 (E_RNA) where: Base-Base interactions energy: -484.006 where: short stacking energy: -239.244 Base-Backbone interact. energy: -1.729 local terms energy: -276.926070 where: bonds (distance) C4'-P energy: -59.395 bonds (distance) P-C4' energy: -61.584 flat angles C4'-P-C4' energy: -57.574 flat angles P-C4'-P energy: -42.897 tors. eta vs tors. theta energy: -55.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -627.098556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.098556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.098556 (E_RNA) where: Base-Base interactions energy: -376.341 where: short stacking energy: -189.991 Base-Backbone interact. energy: -0.996 local terms energy: -249.761677 where: bonds (distance) C4'-P energy: -52.019 bonds (distance) P-C4' energy: -59.149 flat angles C4'-P-C4' energy: -61.991 flat angles P-C4'-P energy: -31.445 tors. eta vs tors. theta energy: -45.158 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: 2 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -556.909829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.909829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.909829 (E_RNA) where: Base-Base interactions energy: -314.110 where: short stacking energy: -164.563 Base-Backbone interact. energy: -0.142 local terms energy: -242.657539 where: bonds (distance) C4'-P energy: -60.199 bonds (distance) P-C4' energy: -51.244 flat angles C4'-P-C4' energy: -66.418 flat angles P-C4'-P energy: -36.112 tors. eta vs tors. theta energy: -28.684 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: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -361.863223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.863223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.863223 (E_RNA) where: Base-Base interactions energy: -176.834 where: short stacking energy: -109.955 Base-Backbone interact. energy: 1.786 local terms energy: -186.815953 where: bonds (distance) C4'-P energy: -66.026 bonds (distance) P-C4' energy: -64.394 flat angles C4'-P-C4' energy: -34.112 flat angles P-C4'-P energy: -21.798 tors. eta vs tors. theta energy: -0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -264.524430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.524430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.524430 (E_RNA) where: Base-Base interactions energy: -97.760 where: short stacking energy: -71.403 Base-Backbone interact. energy: 2.614 local terms energy: -169.377706 where: bonds (distance) C4'-P energy: -52.543 bonds (distance) P-C4' energy: -48.566 flat angles C4'-P-C4' energy: -40.927 flat angles P-C4'-P energy: -40.631 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: 1, replica: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -957.708277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.708277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.708277 (E_RNA) where: Base-Base interactions energy: -620.224 where: short stacking energy: -267.755 Base-Backbone interact. energy: -2.487 local terms energy: -334.997093 where: bonds (distance) C4'-P energy: -64.831 bonds (distance) P-C4' energy: -62.995 flat angles C4'-P-C4' energy: -67.090 flat angles P-C4'-P energy: -54.571 tors. eta vs tors. theta energy: -85.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -907.126045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.126045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.126045 (E_RNA) where: Base-Base interactions energy: -586.745 where: short stacking energy: -269.184 Base-Backbone interact. energy: 0.650 local terms energy: -321.031130 where: bonds (distance) C4'-P energy: -63.661 bonds (distance) P-C4' energy: -70.459 flat angles C4'-P-C4' energy: -65.523 flat angles P-C4'-P energy: -49.366 tors. eta vs tors. theta energy: -72.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -850.612916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.612916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.612916 (E_RNA) where: Base-Base interactions energy: -573.779 where: short stacking energy: -247.591 Base-Backbone interact. energy: 3.356 local terms energy: -280.190509 where: bonds (distance) C4'-P energy: -67.608 bonds (distance) P-C4' energy: -52.957 flat angles C4'-P-C4' energy: -66.736 flat angles P-C4'-P energy: -37.060 tors. eta vs tors. theta energy: -55.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -841.514450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.514450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.514450 (E_RNA) where: Base-Base interactions energy: -543.166 where: short stacking energy: -279.428 Base-Backbone interact. energy: -1.728 local terms energy: -296.620934 where: bonds (distance) C4'-P energy: -60.604 bonds (distance) P-C4' energy: -60.196 flat angles C4'-P-C4' energy: -63.794 flat angles P-C4'-P energy: -32.390 tors. eta vs tors. theta energy: -79.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -736.618971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.618971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.618971 (E_RNA) where: Base-Base interactions energy: -464.731 where: short stacking energy: -230.225 Base-Backbone interact. energy: -1.150 local terms energy: -270.738098 where: bonds (distance) C4'-P energy: -60.597 bonds (distance) P-C4' energy: -60.138 flat angles C4'-P-C4' energy: -61.257 flat angles P-C4'-P energy: -38.278 tors. eta vs tors. theta energy: -50.468 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: 6, replica: 9 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -734.735213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.735213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.735213 (E_RNA) where: Base-Base interactions energy: -469.633 where: short stacking energy: -222.067 Base-Backbone interact. energy: -0.984 local terms energy: -264.118598 where: bonds (distance) C4'-P energy: -53.168 bonds (distance) P-C4' energy: -60.292 flat angles C4'-P-C4' energy: -64.758 flat angles P-C4'-P energy: -39.653 tors. eta vs tors. theta energy: -46.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -660.682468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.682468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.682468 (E_RNA) where: Base-Base interactions energy: -440.888 where: short stacking energy: -182.175 Base-Backbone interact. energy: -0.791 local terms energy: -219.003603 where: bonds (distance) C4'-P energy: -60.066 bonds (distance) P-C4' energy: -47.876 flat angles C4'-P-C4' energy: -47.710 flat angles P-C4'-P energy: -23.058 tors. eta vs tors. theta energy: -40.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -570.973159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.973159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.973159 (E_RNA) where: Base-Base interactions energy: -328.720 where: short stacking energy: -181.896 Base-Backbone interact. energy: -0.927 local terms energy: -241.326157 where: bonds (distance) C4'-P energy: -49.924 bonds (distance) P-C4' energy: -55.115 flat angles C4'-P-C4' energy: -63.912 flat angles P-C4'-P energy: -37.043 tors. eta vs tors. theta energy: -35.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -367.197085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.197085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.197085 (E_RNA) where: Base-Base interactions energy: -187.240 where: short stacking energy: -127.236 Base-Backbone interact. energy: 0.210 local terms energy: -180.166267 where: bonds (distance) C4'-P energy: -58.755 bonds (distance) P-C4' energy: -59.176 flat angles C4'-P-C4' energy: -29.605 flat angles P-C4'-P energy: -24.468 tors. eta vs tors. theta energy: -8.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -271.364972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.364972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.364972 (E_RNA) where: Base-Base interactions energy: -97.629 where: short stacking energy: -85.685 Base-Backbone interact. energy: 0.342 local terms energy: -174.078243 where: bonds (distance) C4'-P energy: -53.428 bonds (distance) P-C4' energy: -50.882 flat angles C4'-P-C4' energy: -51.346 flat angles P-C4'-P energy: -27.096 tors. eta vs tors. theta energy: 8.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -943.759469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.759469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.759469 (E_RNA) where: Base-Base interactions energy: -628.487 where: short stacking energy: -289.476 Base-Backbone interact. energy: -2.188 local terms energy: -313.084257 where: bonds (distance) C4'-P energy: -56.482 bonds (distance) P-C4' energy: -59.195 flat angles C4'-P-C4' energy: -78.284 flat angles P-C4'-P energy: -49.710 tors. eta vs tors. theta energy: -69.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -943.179088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.179088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.179088 (E_RNA) where: Base-Base interactions energy: -615.115 where: short stacking energy: -272.534 Base-Backbone interact. energy: -0.091 local terms energy: -327.972830 where: bonds (distance) C4'-P energy: -62.014 bonds (distance) P-C4' energy: -71.434 flat angles C4'-P-C4' energy: -75.194 flat angles P-C4'-P energy: -42.856 tors. eta vs tors. theta energy: -76.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -889.316242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.316242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.316242 (E_RNA) where: Base-Base interactions energy: -567.806 where: short stacking energy: -292.807 Base-Backbone interact. energy: 0.096 local terms energy: -321.606975 where: bonds (distance) C4'-P energy: -68.737 bonds (distance) P-C4' energy: -58.492 flat angles C4'-P-C4' energy: -71.488 flat angles P-C4'-P energy: -42.463 tors. eta vs tors. theta energy: -80.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -798.825172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.825172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.825172 (E_RNA) where: Base-Base interactions energy: -538.358 where: short stacking energy: -260.629 Base-Backbone interact. energy: 4.154 local terms energy: -264.621143 where: bonds (distance) C4'-P energy: -52.234 bonds (distance) P-C4' energy: -65.909 flat angles C4'-P-C4' energy: -64.295 flat angles P-C4'-P energy: -34.572 tors. eta vs tors. theta energy: -47.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -761.669279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.669279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.669279 (E_RNA) where: Base-Base interactions energy: -484.615 where: short stacking energy: -228.805 Base-Backbone interact. energy: -2.389 local terms energy: -274.664920 where: bonds (distance) C4'-P energy: -61.834 bonds (distance) P-C4' energy: -57.405 flat angles C4'-P-C4' energy: -60.362 flat angles P-C4'-P energy: -35.819 tors. eta vs tors. theta energy: -59.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -652.062487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.062487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.062487 (E_RNA) where: Base-Base interactions energy: -378.829 where: short stacking energy: -188.873 Base-Backbone interact. energy: -0.332 local terms energy: -272.901244 where: bonds (distance) C4'-P energy: -63.350 bonds (distance) P-C4' energy: -63.115 flat angles C4'-P-C4' energy: -61.807 flat angles P-C4'-P energy: -32.784 tors. eta vs tors. theta energy: -51.845 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: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -679.088491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.088491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.088491 (E_RNA) where: Base-Base interactions energy: -428.409 where: short stacking energy: -188.074 Base-Backbone interact. energy: -0.921 local terms energy: -249.758687 where: bonds (distance) C4'-P energy: -47.148 bonds (distance) P-C4' energy: -67.280 flat angles C4'-P-C4' energy: -51.955 flat angles P-C4'-P energy: -41.505 tors. eta vs tors. theta energy: -41.871 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: 2 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -562.396054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.396054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.396054 (E_RNA) where: Base-Base interactions energy: -325.769 where: short stacking energy: -170.240 Base-Backbone interact. energy: -3.056 local terms energy: -233.571373 where: bonds (distance) C4'-P energy: -59.031 bonds (distance) P-C4' energy: -58.987 flat angles C4'-P-C4' energy: -52.907 flat angles P-C4'-P energy: -31.297 tors. eta vs tors. theta energy: -31.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -368.636082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.636082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.636082 (E_RNA) where: Base-Base interactions energy: -182.526 where: short stacking energy: -119.754 Base-Backbone interact. energy: 0.496 local terms energy: -186.606099 where: bonds (distance) C4'-P energy: -48.185 bonds (distance) P-C4' energy: -54.912 flat angles C4'-P-C4' energy: -49.723 flat angles P-C4'-P energy: -31.714 tors. eta vs tors. theta energy: -2.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -275.891046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.891046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.891046 (E_RNA) where: Base-Base interactions energy: -97.255 where: short stacking energy: -88.897 Base-Backbone interact. energy: -1.387 local terms energy: -177.248897 where: bonds (distance) C4'-P energy: -50.063 bonds (distance) P-C4' energy: -54.398 flat angles C4'-P-C4' energy: -48.214 flat angles P-C4'-P energy: -25.277 tors. eta vs tors. theta energy: 0.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -936.175287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.175287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.175287 (E_RNA) where: Base-Base interactions energy: -633.940 where: short stacking energy: -279.972 Base-Backbone interact. energy: -0.747 local terms energy: -301.488510 where: bonds (distance) C4'-P energy: -51.391 bonds (distance) P-C4' energy: -62.891 flat angles C4'-P-C4' energy: -67.240 flat angles P-C4'-P energy: -48.632 tors. eta vs tors. theta energy: -71.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -972.014431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.014431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.014431 (E_RNA) where: Base-Base interactions energy: -638.944 where: short stacking energy: -286.120 Base-Backbone interact. energy: -0.446 local terms energy: -332.624186 where: bonds (distance) C4'-P energy: -67.797 bonds (distance) P-C4' energy: -63.495 flat angles C4'-P-C4' energy: -67.639 flat angles P-C4'-P energy: -51.585 tors. eta vs tors. theta energy: -82.109 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: 5 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -881.572449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.572449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.572449 (E_RNA) where: Base-Base interactions energy: -574.029 where: short stacking energy: -301.740 Base-Backbone interact. energy: -2.426 local terms energy: -305.117496 where: bonds (distance) C4'-P energy: -54.786 bonds (distance) P-C4' energy: -57.002 flat angles C4'-P-C4' energy: -67.931 flat angles P-C4'-P energy: -49.483 tors. eta vs tors. theta energy: -75.915 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: 4, replica: 7 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -786.361673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.361673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.361673 (E_RNA) where: Base-Base interactions energy: -509.997 where: short stacking energy: -226.941 Base-Backbone interact. energy: -0.442 local terms energy: -275.923366 where: bonds (distance) C4'-P energy: -57.895 bonds (distance) P-C4' energy: -64.097 flat angles C4'-P-C4' energy: -59.035 flat angles P-C4'-P energy: -38.368 tors. eta vs tors. theta energy: -56.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -805.816954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.816954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.816954 (E_RNA) where: Base-Base interactions energy: -525.965 where: short stacking energy: -259.777 Base-Backbone interact. energy: 0.285 local terms energy: -280.137526 where: bonds (distance) C4'-P energy: -57.592 bonds (distance) P-C4' energy: -51.161 flat angles C4'-P-C4' energy: -66.895 flat angles P-C4'-P energy: -40.375 tors. eta vs tors. theta energy: -64.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -645.674258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.674258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.674258 (E_RNA) where: Base-Base interactions energy: -390.416 where: short stacking energy: -202.202 Base-Backbone interact. energy: -1.253 local terms energy: -254.005250 where: bonds (distance) C4'-P energy: -58.321 bonds (distance) P-C4' energy: -56.473 flat angles C4'-P-C4' energy: -55.418 flat angles P-C4'-P energy: -37.938 tors. eta vs tors. theta energy: -45.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -641.762634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.762634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.762634 (E_RNA) where: Base-Base interactions energy: -418.686 where: short stacking energy: -172.019 Base-Backbone interact. energy: -3.546 local terms energy: -219.531291 where: bonds (distance) C4'-P energy: -59.959 bonds (distance) P-C4' energy: -44.529 flat angles C4'-P-C4' energy: -57.167 flat angles P-C4'-P energy: -34.206 tors. eta vs tors. theta energy: -23.669 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: 2 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -578.182142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.182142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.182142 (E_RNA) where: Base-Base interactions energy: -344.780 where: short stacking energy: -177.008 Base-Backbone interact. energy: -0.210 local terms energy: -233.191770 where: bonds (distance) C4'-P energy: -53.901 bonds (distance) P-C4' energy: -56.713 flat angles C4'-P-C4' energy: -53.735 flat angles P-C4'-P energy: -34.115 tors. eta vs tors. theta energy: -34.727 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: 10 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -414.567603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.567603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.567603 (E_RNA) where: Base-Base interactions energy: -209.435 where: short stacking energy: -128.796 Base-Backbone interact. energy: 2.695 local terms energy: -207.828213 where: bonds (distance) C4'-P energy: -54.805 bonds (distance) P-C4' energy: -62.984 flat angles C4'-P-C4' energy: -44.211 flat angles P-C4'-P energy: -30.882 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: 10, replica: 8 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -288.963334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.963334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.963334 (E_RNA) where: Base-Base interactions energy: -119.763 where: short stacking energy: -78.614 Base-Backbone interact. energy: 0.507 local terms energy: -169.706754 where: bonds (distance) C4'-P energy: -52.839 bonds (distance) P-C4' energy: -49.331 flat angles C4'-P-C4' energy: -34.090 flat angles P-C4'-P energy: -34.427 tors. eta vs tors. theta energy: 0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -983.515639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.515639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.515639 (E_RNA) where: Base-Base interactions energy: -651.364 where: short stacking energy: -276.674 Base-Backbone interact. energy: -3.471 local terms energy: -328.680755 where: bonds (distance) C4'-P energy: -70.298 bonds (distance) P-C4' energy: -64.845 flat angles C4'-P-C4' energy: -70.383 flat angles P-C4'-P energy: -40.388 tors. eta vs tors. theta energy: -82.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -929.344442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.344442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.344442 (E_RNA) where: Base-Base interactions energy: -598.265 where: short stacking energy: -282.699 Base-Backbone interact. energy: -0.406 local terms energy: -330.673428 where: bonds (distance) C4'-P energy: -69.332 bonds (distance) P-C4' energy: -63.435 flat angles C4'-P-C4' energy: -73.631 flat angles P-C4'-P energy: -54.795 tors. eta vs tors. theta energy: -69.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -870.784334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.784334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.784334 (E_RNA) where: Base-Base interactions energy: -553.206 where: short stacking energy: -278.972 Base-Backbone interact. energy: -1.591 local terms energy: -315.986992 where: bonds (distance) C4'-P energy: -68.059 bonds (distance) P-C4' energy: -63.809 flat angles C4'-P-C4' energy: -76.256 flat angles P-C4'-P energy: -37.161 tors. eta vs tors. theta energy: -70.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -791.092190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.092190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.092190 (E_RNA) where: Base-Base interactions energy: -544.135 where: short stacking energy: -247.230 Base-Backbone interact. energy: 5.440 local terms energy: -252.397498 where: bonds (distance) C4'-P energy: -49.357 bonds (distance) P-C4' energy: -59.929 flat angles C4'-P-C4' energy: -58.877 flat angles P-C4'-P energy: -37.248 tors. eta vs tors. theta energy: -46.987 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: 9 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -782.023300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.023300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.023300 (E_RNA) where: Base-Base interactions energy: -500.839 where: short stacking energy: -221.592 Base-Backbone interact. energy: 0.277 local terms energy: -281.461125 where: bonds (distance) C4'-P energy: -66.003 bonds (distance) P-C4' energy: -54.564 flat angles C4'-P-C4' energy: -58.775 flat angles P-C4'-P energy: -47.489 tors. eta vs tors. theta energy: -54.630 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: 6, replica: 4 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -654.315077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.315077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.315077 (E_RNA) where: Base-Base interactions energy: -420.374 where: short stacking energy: -198.327 Base-Backbone interact. energy: -0.659 local terms energy: -233.282562 where: bonds (distance) C4'-P energy: -35.166 bonds (distance) P-C4' energy: -71.211 flat angles C4'-P-C4' energy: -51.457 flat angles P-C4'-P energy: -37.695 tors. eta vs tors. theta energy: -37.754 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: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -659.095733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.095733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.095733 (E_RNA) where: Base-Base interactions energy: -422.198 where: short stacking energy: -180.567 Base-Backbone interact. energy: 0.180 local terms energy: -237.077934 where: bonds (distance) C4'-P energy: -47.633 bonds (distance) P-C4' energy: -63.008 flat angles C4'-P-C4' energy: -53.910 flat angles P-C4'-P energy: -27.262 tors. eta vs tors. theta energy: -45.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -578.287986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.287986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.287986 (E_RNA) where: Base-Base interactions energy: -345.759 where: short stacking energy: -174.458 Base-Backbone interact. energy: 0.690 local terms energy: -233.219024 where: bonds (distance) C4'-P energy: -53.731 bonds (distance) P-C4' energy: -54.349 flat angles C4'-P-C4' energy: -60.019 flat angles P-C4'-P energy: -38.092 tors. eta vs tors. theta energy: -27.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -384.721576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.721576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.721576 (E_RNA) where: Base-Base interactions energy: -193.217 where: short stacking energy: -112.121 Base-Backbone interact. energy: 2.303 local terms energy: -193.806753 where: bonds (distance) C4'-P energy: -52.709 bonds (distance) P-C4' energy: -58.265 flat angles C4'-P-C4' energy: -53.261 flat angles P-C4'-P energy: -20.069 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: 10, replica: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -290.193398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.193398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.193398 (E_RNA) where: Base-Base interactions energy: -114.314 where: short stacking energy: -99.719 Base-Backbone interact. energy: -1.688 local terms energy: -174.191135 where: bonds (distance) C4'-P energy: -59.020 bonds (distance) P-C4' energy: -63.124 flat angles C4'-P-C4' energy: -30.095 flat angles P-C4'-P energy: -21.306 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: 1, replica: 1 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -980.826842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.826842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.826842 (E_RNA) where: Base-Base interactions energy: -656.304 where: short stacking energy: -288.607 Base-Backbone interact. energy: -2.516 local terms energy: -322.006967 where: bonds (distance) C4'-P energy: -61.665 bonds (distance) P-C4' energy: -63.892 flat angles C4'-P-C4' energy: -70.938 flat angles P-C4'-P energy: -38.199 tors. eta vs tors. theta energy: -87.313 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: 3 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -921.617916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.617916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.617916 (E_RNA) where: Base-Base interactions energy: -615.004 where: short stacking energy: -271.041 Base-Backbone interact. energy: -1.373 local terms energy: -305.240744 where: bonds (distance) C4'-P energy: -57.662 bonds (distance) P-C4' energy: -65.023 flat angles C4'-P-C4' energy: -66.671 flat angles P-C4'-P energy: -44.430 tors. eta vs tors. theta energy: -71.455 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: 3, replica: 5 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -924.271898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.271898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.271898 (E_RNA) where: Base-Base interactions energy: -601.961 where: short stacking energy: -274.274 Base-Backbone interact. energy: -0.189 local terms energy: -322.121840 where: bonds (distance) C4'-P energy: -61.054 bonds (distance) P-C4' energy: -73.339 flat angles C4'-P-C4' energy: -70.393 flat angles P-C4'-P energy: -53.729 tors. eta vs tors. theta energy: -63.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -780.908451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.908451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.908451 (E_RNA) where: Base-Base interactions energy: -507.202 where: short stacking energy: -251.658 Base-Backbone interact. energy: -0.864 local terms energy: -272.842676 where: bonds (distance) C4'-P energy: -61.374 bonds (distance) P-C4' energy: -56.649 flat angles C4'-P-C4' energy: -51.425 flat angles P-C4'-P energy: -49.210 tors. eta vs tors. theta energy: -54.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -788.836244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.836244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.836244 (E_RNA) where: Base-Base interactions energy: -499.762 where: short stacking energy: -221.274 Base-Backbone interact. energy: -1.543 local terms energy: -287.531518 where: bonds (distance) C4'-P energy: -66.930 bonds (distance) P-C4' energy: -66.989 flat angles C4'-P-C4' energy: -60.899 flat angles P-C4'-P energy: -43.721 tors. eta vs tors. theta energy: -48.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -707.132326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.132326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.132326 (E_RNA) where: Base-Base interactions energy: -444.966 where: short stacking energy: -190.564 Base-Backbone interact. energy: 0.886 local terms energy: -263.051845 where: bonds (distance) C4'-P energy: -71.610 bonds (distance) P-C4' energy: -59.212 flat angles C4'-P-C4' energy: -46.160 flat angles P-C4'-P energy: -43.180 tors. eta vs tors. theta energy: -42.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -629.525562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.525562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.525562 (E_RNA) where: Base-Base interactions energy: -396.320 where: short stacking energy: -196.714 Base-Backbone interact. energy: -0.686 local terms energy: -232.520469 where: bonds (distance) C4'-P energy: -45.262 bonds (distance) P-C4' energy: -56.642 flat angles C4'-P-C4' energy: -52.651 flat angles P-C4'-P energy: -38.734 tors. eta vs tors. theta energy: -39.231 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: 2 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -618.670247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.670247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.670247 (E_RNA) where: Base-Base interactions energy: -394.745 where: short stacking energy: -200.329 Base-Backbone interact. energy: 3.019 local terms energy: -226.943484 where: bonds (distance) C4'-P energy: -43.408 bonds (distance) P-C4' energy: -50.573 flat angles C4'-P-C4' energy: -56.217 flat angles P-C4'-P energy: -37.913 tors. eta vs tors. theta energy: -38.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -392.983527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.983527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.983527 (E_RNA) where: Base-Base interactions energy: -182.114 where: short stacking energy: -110.944 Base-Backbone interact. energy: -0.551 local terms energy: -210.318429 where: bonds (distance) C4'-P energy: -60.395 bonds (distance) P-C4' energy: -56.357 flat angles C4'-P-C4' energy: -38.235 flat angles P-C4'-P energy: -33.009 tors. eta vs tors. theta energy: -22.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -295.571214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.571214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.571214 (E_RNA) where: Base-Base interactions energy: -114.760 where: short stacking energy: -76.575 Base-Backbone interact. energy: -0.451 local terms energy: -180.359543 where: bonds (distance) C4'-P energy: -58.147 bonds (distance) P-C4' energy: -56.973 flat angles C4'-P-C4' energy: -35.105 flat angles P-C4'-P energy: -32.763 tors. eta vs tors. theta energy: 2.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -968.658593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.658593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.658593 (E_RNA) where: Base-Base interactions energy: -662.909 where: short stacking energy: -295.816 Base-Backbone interact. energy: -2.480 local terms energy: -303.268953 where: bonds (distance) C4'-P energy: -58.404 bonds (distance) P-C4' energy: -62.739 flat angles C4'-P-C4' energy: -64.113 flat angles P-C4'-P energy: -39.534 tors. eta vs tors. theta energy: -78.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -920.006085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.006085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.006085 (E_RNA) where: Base-Base interactions energy: -612.979 where: short stacking energy: -281.723 Base-Backbone interact. energy: -1.360 local terms energy: -305.666455 where: bonds (distance) C4'-P energy: -67.923 bonds (distance) P-C4' energy: -56.220 flat angles C4'-P-C4' energy: -66.887 flat angles P-C4'-P energy: -38.590 tors. eta vs tors. theta energy: -76.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -932.518662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.518662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.518662 (E_RNA) where: Base-Base interactions energy: -639.181 where: short stacking energy: -281.656 Base-Backbone interact. energy: -1.086 local terms energy: -292.252223 where: bonds (distance) C4'-P energy: -50.409 bonds (distance) P-C4' energy: -54.046 flat angles C4'-P-C4' energy: -67.215 flat angles P-C4'-P energy: -53.891 tors. eta vs tors. theta energy: -66.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -805.930922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.930922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.930922 (E_RNA) where: Base-Base interactions energy: -520.385 where: short stacking energy: -236.755 Base-Backbone interact. energy: -1.942 local terms energy: -283.604374 where: bonds (distance) C4'-P energy: -60.822 bonds (distance) P-C4' energy: -66.359 flat angles C4'-P-C4' energy: -56.039 flat angles P-C4'-P energy: -39.153 tors. eta vs tors. theta energy: -61.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -792.530246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.530246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.530246 (E_RNA) where: Base-Base interactions energy: -539.072 where: short stacking energy: -240.962 Base-Backbone interact. energy: 0.224 local terms energy: -253.681304 where: bonds (distance) C4'-P energy: -51.454 bonds (distance) P-C4' energy: -55.288 flat angles C4'-P-C4' energy: -67.651 flat angles P-C4'-P energy: -25.644 tors. eta vs tors. theta energy: -53.643 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: 6 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -691.779103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.779103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.779103 (E_RNA) where: Base-Base interactions energy: -421.591 where: short stacking energy: -211.795 Base-Backbone interact. energy: -1.385 local terms energy: -268.802566 where: bonds (distance) C4'-P energy: -51.199 bonds (distance) P-C4' energy: -62.080 flat angles C4'-P-C4' energy: -64.457 flat angles P-C4'-P energy: -45.180 tors. eta vs tors. theta energy: -45.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -640.696895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.696895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.696895 (E_RNA) where: Base-Base interactions energy: -413.061 where: short stacking energy: -190.780 Base-Backbone interact. energy: -1.115 local terms energy: -226.520508 where: bonds (distance) C4'-P energy: -53.599 bonds (distance) P-C4' energy: -52.462 flat angles C4'-P-C4' energy: -57.125 flat angles P-C4'-P energy: -35.396 tors. eta vs tors. theta energy: -27.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -555.880985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.880985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.880985 (E_RNA) where: Base-Base interactions energy: -329.199 where: short stacking energy: -160.263 Base-Backbone interact. energy: 1.102 local terms energy: -227.783934 where: bonds (distance) C4'-P energy: -50.871 bonds (distance) P-C4' energy: -67.610 flat angles C4'-P-C4' energy: -46.746 flat angles P-C4'-P energy: -39.952 tors. eta vs tors. theta energy: -22.605 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: 9, replica: 10 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -435.093544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.093544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.093544 (E_RNA) where: Base-Base interactions energy: -239.510 where: short stacking energy: -121.612 Base-Backbone interact. energy: -1.683 local terms energy: -193.900849 where: bonds (distance) C4'-P energy: -58.318 bonds (distance) P-C4' energy: -70.995 flat angles C4'-P-C4' energy: -52.941 flat angles P-C4'-P energy: -15.063 tors. eta vs tors. theta energy: 3.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -280.899112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.899112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.899112 (E_RNA) where: Base-Base interactions energy: -106.818 where: short stacking energy: -80.331 Base-Backbone interact. energy: -0.679 local terms energy: -173.401947 where: bonds (distance) C4'-P energy: -51.868 bonds (distance) P-C4' energy: -62.816 flat angles C4'-P-C4' energy: -38.687 flat angles P-C4'-P energy: -24.995 tors. eta vs tors. theta energy: 4.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -967.072251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.072251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.072251 (E_RNA) where: Base-Base interactions energy: -617.421 where: short stacking energy: -278.267 Base-Backbone interact. energy: -0.985 local terms energy: -348.666879 where: bonds (distance) C4'-P energy: -68.592 bonds (distance) P-C4' energy: -72.063 flat angles C4'-P-C4' energy: -79.808 flat angles P-C4'-P energy: -50.268 tors. eta vs tors. theta energy: -77.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -981.268078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.268078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.268078 (E_RNA) where: Base-Base interactions energy: -654.919 where: short stacking energy: -311.811 Base-Backbone interact. energy: -0.418 local terms energy: -325.931625 where: bonds (distance) C4'-P energy: -61.635 bonds (distance) P-C4' energy: -64.208 flat angles C4'-P-C4' energy: -66.322 flat angles P-C4'-P energy: -51.836 tors. eta vs tors. theta energy: -81.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -895.572097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.572097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.572097 (E_RNA) where: Base-Base interactions energy: -593.729 where: short stacking energy: -273.600 Base-Backbone interact. energy: -2.234 local terms energy: -299.609972 where: bonds (distance) C4'-P energy: -60.558 bonds (distance) P-C4' energy: -59.984 flat angles C4'-P-C4' energy: -66.468 flat angles P-C4'-P energy: -41.077 tors. eta vs tors. theta energy: -71.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -841.857184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.857184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.857184 (E_RNA) where: Base-Base interactions energy: -556.821 where: short stacking energy: -252.824 Base-Backbone interact. energy: -1.217 local terms energy: -283.818467 where: bonds (distance) C4'-P energy: -58.791 bonds (distance) P-C4' energy: -54.928 flat angles C4'-P-C4' energy: -54.427 flat angles P-C4'-P energy: -48.930 tors. eta vs tors. theta energy: -66.742 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: 5, replica: 7 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -759.759957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.759957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.759957 (E_RNA) where: Base-Base interactions energy: -484.429 where: short stacking energy: -224.141 Base-Backbone interact. energy: 5.790 local terms energy: -281.121122 where: bonds (distance) C4'-P energy: -59.681 bonds (distance) P-C4' energy: -65.785 flat angles C4'-P-C4' energy: -62.559 flat angles P-C4'-P energy: -38.082 tors. eta vs tors. theta energy: -55.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -732.025115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.025115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.025115 (E_RNA) where: Base-Base interactions energy: -452.229 where: short stacking energy: -215.598 Base-Backbone interact. energy: 2.282 local terms energy: -282.078532 where: bonds (distance) C4'-P energy: -53.962 bonds (distance) P-C4' energy: -72.559 flat angles C4'-P-C4' energy: -58.675 flat angles P-C4'-P energy: -40.848 tors. eta vs tors. theta energy: -56.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -643.800440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.800440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.800440 (E_RNA) where: Base-Base interactions energy: -407.866 where: short stacking energy: -201.664 Base-Backbone interact. energy: -1.543 local terms energy: -234.391753 where: bonds (distance) C4'-P energy: -44.236 bonds (distance) P-C4' energy: -51.350 flat angles C4'-P-C4' energy: -53.508 flat angles P-C4'-P energy: -40.052 tors. eta vs tors. theta energy: -45.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -552.582663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.582663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.582663 (E_RNA) where: Base-Base interactions energy: -325.869 where: short stacking energy: -176.077 Base-Backbone interact. energy: -1.360 local terms energy: -225.353362 where: bonds (distance) C4'-P energy: -49.432 bonds (distance) P-C4' energy: -53.482 flat angles C4'-P-C4' energy: -53.889 flat angles P-C4'-P energy: -39.902 tors. eta vs tors. theta energy: -28.649 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: 27 Temperature: 1.300000 Total energy: -444.915251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.915251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.915251 (E_RNA) where: Base-Base interactions energy: -243.399 where: short stacking energy: -118.610 Base-Backbone interact. energy: -0.939 local terms energy: -200.577501 where: bonds (distance) C4'-P energy: -56.317 bonds (distance) P-C4' energy: -64.771 flat angles C4'-P-C4' energy: -36.364 flat angles P-C4'-P energy: -35.119 tors. eta vs tors. theta energy: -8.006 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: 10, replica: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -321.506543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.506543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.506543 (E_RNA) where: Base-Base interactions energy: -169.396 where: short stacking energy: -97.655 Base-Backbone interact. energy: 1.367 local terms energy: -153.476884 where: bonds (distance) C4'-P energy: -32.894 bonds (distance) P-C4' energy: -59.282 flat angles C4'-P-C4' energy: -45.799 flat angles P-C4'-P energy: -19.859 tors. eta vs tors. theta energy: 4.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1007.314842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.314842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.314842 (E_RNA) where: Base-Base interactions energy: -689.998 where: short stacking energy: -313.521 Base-Backbone interact. energy: -1.594 local terms energy: -315.722713 where: bonds (distance) C4'-P energy: -61.709 bonds (distance) P-C4' energy: -59.638 flat angles C4'-P-C4' energy: -62.149 flat angles P-C4'-P energy: -47.521 tors. eta vs tors. theta energy: -84.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -922.285826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.285826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.285826 (E_RNA) where: Base-Base interactions energy: -594.991 where: short stacking energy: -263.138 Base-Backbone interact. energy: -0.045 local terms energy: -327.249712 where: bonds (distance) C4'-P energy: -65.651 bonds (distance) P-C4' energy: -66.912 flat angles C4'-P-C4' energy: -74.055 flat angles P-C4'-P energy: -43.124 tors. eta vs tors. theta energy: -77.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -890.041565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.041565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.041565 (E_RNA) where: Base-Base interactions energy: -579.883 where: short stacking energy: -272.144 Base-Backbone interact. energy: -2.646 local terms energy: -307.513041 where: bonds (distance) C4'-P energy: -56.119 bonds (distance) P-C4' energy: -63.135 flat angles C4'-P-C4' energy: -74.219 flat angles P-C4'-P energy: -40.919 tors. eta vs tors. theta energy: -73.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -858.720164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.720164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.720164 (E_RNA) where: Base-Base interactions energy: -563.956 where: short stacking energy: -246.839 Base-Backbone interact. energy: -0.137 local terms energy: -294.627075 where: bonds (distance) C4'-P energy: -62.834 bonds (distance) P-C4' energy: -61.654 flat angles C4'-P-C4' energy: -64.475 flat angles P-C4'-P energy: -44.222 tors. eta vs tors. theta energy: -61.442 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: 28 Temperature: 1.100000 Total energy: -746.976827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.976827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.976827 (E_RNA) where: Base-Base interactions energy: -466.249 where: short stacking energy: -213.055 Base-Backbone interact. energy: -1.580 local terms energy: -279.147351 where: bonds (distance) C4'-P energy: -67.076 bonds (distance) P-C4' energy: -57.943 flat angles C4'-P-C4' energy: -59.464 flat angles P-C4'-P energy: -39.454 tors. eta vs tors. theta energy: -55.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -721.025503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.025503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.025503 (E_RNA) where: Base-Base interactions energy: -471.853 where: short stacking energy: -227.581 Base-Backbone interact. energy: -1.115 local terms energy: -248.057304 where: bonds (distance) C4'-P energy: -47.351 bonds (distance) P-C4' energy: -50.852 flat angles C4'-P-C4' energy: -58.163 flat angles P-C4'-P energy: -43.325 tors. eta vs tors. theta energy: -48.366 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: 2 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -654.376974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.376974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.376974 (E_RNA) where: Base-Base interactions energy: -410.164 where: short stacking energy: -216.445 Base-Backbone interact. energy: -1.072 local terms energy: -243.141236 where: bonds (distance) C4'-P energy: -44.307 bonds (distance) P-C4' energy: -47.928 flat angles C4'-P-C4' energy: -62.933 flat angles P-C4'-P energy: -34.730 tors. eta vs tors. theta energy: -53.243 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: 4 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -540.195924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.195924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.195924 (E_RNA) where: Base-Base interactions energy: -326.886 where: short stacking energy: -152.268 Base-Backbone interact. energy: 0.207 local terms energy: -213.517786 where: bonds (distance) C4'-P energy: -57.374 bonds (distance) P-C4' energy: -54.212 flat angles C4'-P-C4' energy: -53.089 flat angles P-C4'-P energy: -30.612 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: 9, replica: 10 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -463.373937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.373937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.373937 (E_RNA) where: Base-Base interactions energy: -249.384 where: short stacking energy: -130.575 Base-Backbone interact. energy: 1.915 local terms energy: -215.905445 where: bonds (distance) C4'-P energy: -51.369 bonds (distance) P-C4' energy: -58.419 flat angles C4'-P-C4' energy: -57.746 flat angles P-C4'-P energy: -32.677 tors. eta vs tors. theta energy: -15.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -381.321010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.321010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.321010 (E_RNA) where: Base-Base interactions energy: -215.451 where: short stacking energy: -104.041 Base-Backbone interact. energy: 2.116 local terms energy: -167.986750 where: bonds (distance) C4'-P energy: -41.952 bonds (distance) P-C4' energy: -54.881 flat angles C4'-P-C4' energy: -39.156 flat angles P-C4'-P energy: -33.531 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: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1024.037957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.037957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.037957 (E_RNA) where: Base-Base interactions energy: -677.175 where: short stacking energy: -295.515 Base-Backbone interact. energy: -0.105 local terms energy: -346.758345 where: bonds (distance) C4'-P energy: -65.968 bonds (distance) P-C4' energy: -68.494 flat angles C4'-P-C4' energy: -76.287 flat angles P-C4'-P energy: -45.269 tors. eta vs tors. theta energy: -90.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -920.314367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.314367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.314367 (E_RNA) where: Base-Base interactions energy: -606.826 where: short stacking energy: -269.620 Base-Backbone interact. energy: -1.106 local terms energy: -312.381605 where: bonds (distance) C4'-P energy: -60.320 bonds (distance) P-C4' energy: -69.494 flat angles C4'-P-C4' energy: -67.437 flat angles P-C4'-P energy: -47.614 tors. eta vs tors. theta energy: -67.516 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: 3, replica: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -950.317553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.317553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.317553 (E_RNA) where: Base-Base interactions energy: -632.251 where: short stacking energy: -271.903 Base-Backbone interact. energy: -0.992 local terms energy: -317.075426 where: bonds (distance) C4'-P energy: -63.520 bonds (distance) P-C4' energy: -60.480 flat angles C4'-P-C4' energy: -73.856 flat angles P-C4'-P energy: -43.714 tors. eta vs tors. theta energy: -75.505 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: 4, replica: 9 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -825.132943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.132943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.132943 (E_RNA) where: Base-Base interactions energy: -519.789 where: short stacking energy: -245.207 Base-Backbone interact. energy: 2.336 local terms energy: -307.680226 where: bonds (distance) C4'-P energy: -58.539 bonds (distance) P-C4' energy: -64.973 flat angles C4'-P-C4' energy: -70.631 flat angles P-C4'-P energy: -43.631 tors. eta vs tors. theta energy: -69.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -727.089072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.089072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.089072 (E_RNA) where: Base-Base interactions energy: -465.551 where: short stacking energy: -220.417 Base-Backbone interact. energy: 0.401 local terms energy: -261.938945 where: bonds (distance) C4'-P energy: -49.174 bonds (distance) P-C4' energy: -59.550 flat angles C4'-P-C4' energy: -61.819 flat angles P-C4'-P energy: -44.714 tors. eta vs tors. theta energy: -46.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -737.871136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.871136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.871136 (E_RNA) where: Base-Base interactions energy: -458.140 where: short stacking energy: -219.316 Base-Backbone interact. energy: -1.540 local terms energy: -278.191498 where: bonds (distance) C4'-P energy: -58.864 bonds (distance) P-C4' energy: -55.090 flat angles C4'-P-C4' energy: -67.267 flat angles P-C4'-P energy: -46.221 tors. eta vs tors. theta energy: -50.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -672.610384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.610384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.610384 (E_RNA) where: Base-Base interactions energy: -407.195 where: short stacking energy: -220.767 Base-Backbone interact. energy: -3.069 local terms energy: -262.346940 where: bonds (distance) C4'-P energy: -53.347 bonds (distance) P-C4' energy: -55.924 flat angles C4'-P-C4' energy: -59.504 flat angles P-C4'-P energy: -44.576 tors. eta vs tors. theta energy: -48.996 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: 8, replica: 4 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -542.652856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.652856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.652856 (E_RNA) where: Base-Base interactions energy: -331.113 where: short stacking energy: -181.436 Base-Backbone interact. energy: 0.434 local terms energy: -211.973837 where: bonds (distance) C4'-P energy: -43.952 bonds (distance) P-C4' energy: -62.542 flat angles C4'-P-C4' energy: -55.700 flat angles P-C4'-P energy: -22.791 tors. eta vs tors. theta energy: -26.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -456.617945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.617945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.617945 (E_RNA) where: Base-Base interactions energy: -257.025 where: short stacking energy: -115.919 Base-Backbone interact. energy: -0.422 local terms energy: -199.170563 where: bonds (distance) C4'-P energy: -49.129 bonds (distance) P-C4' energy: -61.021 flat angles C4'-P-C4' energy: -50.427 flat angles P-C4'-P energy: -21.467 tors. eta vs tors. theta energy: -17.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -346.308164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.308164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.308164 (E_RNA) where: Base-Base interactions energy: -156.656 where: short stacking energy: -95.675 Base-Backbone interact. energy: 0.710 local terms energy: -190.361711 where: bonds (distance) C4'-P energy: -49.715 bonds (distance) P-C4' energy: -60.511 flat angles C4'-P-C4' energy: -50.825 flat angles P-C4'-P energy: -32.557 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: 1, replica: 5 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1057.918597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.918597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.918597 (E_RNA) where: Base-Base interactions energy: -719.035 where: short stacking energy: -330.366 Base-Backbone interact. energy: -1.405 local terms energy: -337.478796 where: bonds (distance) C4'-P energy: -68.681 bonds (distance) P-C4' energy: -62.242 flat angles C4'-P-C4' energy: -73.078 flat angles P-C4'-P energy: -48.814 tors. eta vs tors. theta energy: -84.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -957.080037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.080037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.080037 (E_RNA) where: Base-Base interactions energy: -653.988 where: short stacking energy: -285.819 Base-Backbone interact. energy: -1.267 local terms energy: -301.824422 where: bonds (distance) C4'-P energy: -62.232 bonds (distance) P-C4' energy: -60.351 flat angles C4'-P-C4' energy: -68.064 flat angles P-C4'-P energy: -36.234 tors. eta vs tors. theta energy: -74.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -936.059735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.059735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.059735 (E_RNA) where: Base-Base interactions energy: -621.064 where: short stacking energy: -281.261 Base-Backbone interact. energy: -1.223 local terms energy: -313.772704 where: bonds (distance) C4'-P energy: -63.648 bonds (distance) P-C4' energy: -67.118 flat angles C4'-P-C4' energy: -69.464 flat angles P-C4'-P energy: -40.205 tors. eta vs tors. theta energy: -73.337 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: 9 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -850.101201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.101201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.101201 (E_RNA) where: Base-Base interactions energy: -551.400 where: short stacking energy: -259.546 Base-Backbone interact. energy: -0.364 local terms energy: -298.337015 where: bonds (distance) C4'-P energy: -61.619 bonds (distance) P-C4' energy: -66.900 flat angles C4'-P-C4' energy: -65.407 flat angles P-C4'-P energy: -30.315 tors. eta vs tors. theta energy: -74.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -711.548736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.548736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.548736 (E_RNA) where: Base-Base interactions energy: -453.738 where: short stacking energy: -211.488 Base-Backbone interact. energy: -1.474 local terms energy: -256.336584 where: bonds (distance) C4'-P energy: -57.423 bonds (distance) P-C4' energy: -49.282 flat angles C4'-P-C4' energy: -58.384 flat angles P-C4'-P energy: -46.360 tors. eta vs tors. theta energy: -44.888 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: 6 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -730.359055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.359055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.359055 (E_RNA) where: Base-Base interactions energy: -453.489 where: short stacking energy: -210.865 Base-Backbone interact. energy: -1.675 local terms energy: -275.195355 where: bonds (distance) C4'-P energy: -49.503 bonds (distance) P-C4' energy: -69.264 flat angles C4'-P-C4' energy: -58.296 flat angles P-C4'-P energy: -44.137 tors. eta vs tors. theta energy: -53.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -658.601488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.601488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.601488 (E_RNA) where: Base-Base interactions energy: -408.233 where: short stacking energy: -190.244 Base-Backbone interact. energy: -0.740 local terms energy: -249.628046 where: bonds (distance) C4'-P energy: -60.866 bonds (distance) P-C4' energy: -52.129 flat angles C4'-P-C4' energy: -65.774 flat angles P-C4'-P energy: -38.252 tors. eta vs tors. theta energy: -32.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -495.431986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.431986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.431986 (E_RNA) where: Base-Base interactions energy: -293.220 where: short stacking energy: -142.787 Base-Backbone interact. energy: 4.445 local terms energy: -206.656874 where: bonds (distance) C4'-P energy: -55.010 bonds (distance) P-C4' energy: -49.016 flat angles C4'-P-C4' energy: -51.499 flat angles P-C4'-P energy: -32.931 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: 9, replica: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -434.222204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.222204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.222204 (E_RNA) where: Base-Base interactions energy: -230.808 where: short stacking energy: -109.575 Base-Backbone interact. energy: -0.276 local terms energy: -203.137683 where: bonds (distance) C4'-P energy: -44.459 bonds (distance) P-C4' energy: -63.218 flat angles C4'-P-C4' energy: -47.138 flat angles P-C4'-P energy: -36.154 tors. eta vs tors. theta energy: -12.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -408.000061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.000061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.000061 (E_RNA) where: Base-Base interactions energy: -199.935 where: short stacking energy: -112.657 Base-Backbone interact. energy: -0.901 local terms energy: -207.163838 where: bonds (distance) C4'-P energy: -55.844 bonds (distance) P-C4' energy: -56.419 flat angles C4'-P-C4' energy: -47.402 flat angles P-C4'-P energy: -35.436 tors. eta vs tors. theta energy: -12.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1056.039599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.039599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.039599 (E_RNA) where: Base-Base interactions energy: -706.039 where: short stacking energy: -309.427 Base-Backbone interact. energy: -0.979 local terms energy: -349.021910 where: bonds (distance) C4'-P energy: -77.264 bonds (distance) P-C4' energy: -64.377 flat angles C4'-P-C4' energy: -68.299 flat angles P-C4'-P energy: -54.239 tors. eta vs tors. theta energy: -84.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -943.062614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.062614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.062614 (E_RNA) where: Base-Base interactions energy: -634.142 where: short stacking energy: -276.457 Base-Backbone interact. energy: -3.637 local terms energy: -305.283674 where: bonds (distance) C4'-P energy: -62.536 bonds (distance) P-C4' energy: -56.574 flat angles C4'-P-C4' energy: -65.497 flat angles P-C4'-P energy: -44.664 tors. eta vs tors. theta energy: -76.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -910.302944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.302944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.302944 (E_RNA) where: Base-Base interactions energy: -621.966 where: short stacking energy: -267.860 Base-Backbone interact. energy: -1.181 local terms energy: -287.156103 where: bonds (distance) C4'-P energy: -53.664 bonds (distance) P-C4' energy: -54.056 flat angles C4'-P-C4' energy: -56.876 flat angles P-C4'-P energy: -42.094 tors. eta vs tors. theta energy: -80.465 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: 4, replica: 9 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -840.380127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.380127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.380127 (E_RNA) where: Base-Base interactions energy: -539.941 where: short stacking energy: -238.352 Base-Backbone interact. energy: -0.425 local terms energy: -300.014904 where: bonds (distance) C4'-P energy: -64.828 bonds (distance) P-C4' energy: -68.808 flat angles C4'-P-C4' energy: -62.067 flat angles P-C4'-P energy: -49.333 tors. eta vs tors. theta energy: -54.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -701.357780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.357780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.357780 (E_RNA) where: Base-Base interactions energy: -435.705 where: short stacking energy: -189.574 Base-Backbone interact. energy: 1.379 local terms energy: -267.032041 where: bonds (distance) C4'-P energy: -73.324 bonds (distance) P-C4' energy: -62.118 flat angles C4'-P-C4' energy: -55.423 flat angles P-C4'-P energy: -47.169 tors. eta vs tors. theta energy: -28.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -743.690561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.690561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.690561 (E_RNA) where: Base-Base interactions energy: -469.565 where: short stacking energy: -223.145 Base-Backbone interact. energy: -1.695 local terms energy: -272.430387 where: bonds (distance) C4'-P energy: -61.546 bonds (distance) P-C4' energy: -54.974 flat angles C4'-P-C4' energy: -64.626 flat angles P-C4'-P energy: -35.023 tors. eta vs tors. theta energy: -56.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -639.222882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.222882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.222882 (E_RNA) where: Base-Base interactions energy: -395.874 where: short stacking energy: -195.076 Base-Backbone interact. energy: -1.733 local terms energy: -241.615694 where: bonds (distance) C4'-P energy: -48.062 bonds (distance) P-C4' energy: -62.289 flat angles C4'-P-C4' energy: -57.177 flat angles P-C4'-P energy: -36.128 tors. eta vs tors. theta energy: -37.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -475.251946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.251946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.251946 (E_RNA) where: Base-Base interactions energy: -264.204 where: short stacking energy: -154.311 Base-Backbone interact. energy: -0.111 local terms energy: -210.937627 where: bonds (distance) C4'-P energy: -62.990 bonds (distance) P-C4' energy: -53.190 flat angles C4'-P-C4' energy: -55.042 flat angles P-C4'-P energy: -22.553 tors. eta vs tors. theta energy: -17.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -509.620642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.620642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.620642 (E_RNA) where: Base-Base interactions energy: -294.963 where: short stacking energy: -157.081 Base-Backbone interact. energy: -1.602 local terms energy: -213.056423 where: bonds (distance) C4'-P energy: -52.714 bonds (distance) P-C4' energy: -52.543 flat angles C4'-P-C4' energy: -34.722 flat angles P-C4'-P energy: -39.318 tors. eta vs tors. theta energy: -33.760 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: 8 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -429.752616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.752616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.752616 (E_RNA) where: Base-Base interactions energy: -227.622 where: short stacking energy: -117.612 Base-Backbone interact. energy: 1.521 local terms energy: -203.651209 where: bonds (distance) C4'-P energy: -58.717 bonds (distance) P-C4' energy: -62.508 flat angles C4'-P-C4' energy: -47.570 flat angles P-C4'-P energy: -17.281 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: 1, replica: 5 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1054.928544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.928544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.928544 (E_RNA) where: Base-Base interactions energy: -721.124 where: short stacking energy: -314.174 Base-Backbone interact. energy: -0.076 local terms energy: -333.728832 where: bonds (distance) C4'-P energy: -61.730 bonds (distance) P-C4' energy: -67.463 flat angles C4'-P-C4' energy: -70.222 flat angles P-C4'-P energy: -53.613 tors. eta vs tors. theta energy: -80.701 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: 3 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -989.971340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.971340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.971340 (E_RNA) where: Base-Base interactions energy: -656.785 where: short stacking energy: -289.124 Base-Backbone interact. energy: -2.863 local terms energy: -330.323323 where: bonds (distance) C4'-P energy: -63.597 bonds (distance) P-C4' energy: -74.731 flat angles C4'-P-C4' energy: -72.975 flat angles P-C4'-P energy: -40.416 tors. eta vs tors. theta energy: -78.605 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: 3, replica: 1 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -916.874535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.874535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.874535 (E_RNA) where: Base-Base interactions energy: -598.310 where: short stacking energy: -287.671 Base-Backbone interact. energy: -1.297 local terms energy: -317.267769 where: bonds (distance) C4'-P energy: -62.219 bonds (distance) P-C4' energy: -61.038 flat angles C4'-P-C4' energy: -70.705 flat angles P-C4'-P energy: -44.752 tors. eta vs tors. theta energy: -78.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -828.398136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.398136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.398136 (E_RNA) where: Base-Base interactions energy: -551.014 where: short stacking energy: -245.638 Base-Backbone interact. energy: -2.643 local terms energy: -274.740442 where: bonds (distance) C4'-P energy: -61.238 bonds (distance) P-C4' energy: -64.757 flat angles C4'-P-C4' energy: -63.138 flat angles P-C4'-P energy: -33.501 tors. eta vs tors. theta energy: -52.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -704.716026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.716026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.716026 (E_RNA) where: Base-Base interactions energy: -446.592 where: short stacking energy: -184.579 Base-Backbone interact. energy: -0.863 local terms energy: -257.260667 where: bonds (distance) C4'-P energy: -58.117 bonds (distance) P-C4' energy: -56.480 flat angles C4'-P-C4' energy: -63.019 flat angles P-C4'-P energy: -42.784 tors. eta vs tors. theta energy: -36.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -744.375687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.375687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.375687 (E_RNA) where: Base-Base interactions energy: -470.732 where: short stacking energy: -241.865 Base-Backbone interact. energy: -1.628 local terms energy: -272.015542 where: bonds (distance) C4'-P energy: -53.695 bonds (distance) P-C4' energy: -51.570 flat angles C4'-P-C4' energy: -66.795 flat angles P-C4'-P energy: -40.951 tors. eta vs tors. theta energy: -59.005 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: 2 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -635.877427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.877427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.877427 (E_RNA) where: Base-Base interactions energy: -407.595 where: short stacking energy: -194.880 Base-Backbone interact. energy: -2.405 local terms energy: -225.877406 where: bonds (distance) C4'-P energy: -51.449 bonds (distance) P-C4' energy: -48.719 flat angles C4'-P-C4' energy: -60.761 flat angles P-C4'-P energy: -31.900 tors. eta vs tors. theta energy: -33.048 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: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -494.085921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.085921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.085921 (E_RNA) where: Base-Base interactions energy: -284.192 where: short stacking energy: -155.550 Base-Backbone interact. energy: -0.718 local terms energy: -209.175133 where: bonds (distance) C4'-P energy: -54.400 bonds (distance) P-C4' energy: -55.374 flat angles C4'-P-C4' energy: -64.128 flat angles P-C4'-P energy: -20.669 tors. eta vs tors. theta energy: -14.605 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: 9, replica: 4 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -478.168553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.168553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.168553 (E_RNA) where: Base-Base interactions energy: -261.370 where: short stacking energy: -133.855 Base-Backbone interact. energy: 2.140 local terms energy: -218.938439 where: bonds (distance) C4'-P energy: -55.087 bonds (distance) P-C4' energy: -50.986 flat angles C4'-P-C4' energy: -53.850 flat angles P-C4'-P energy: -40.839 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: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -372.527072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.527072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.527072 (E_RNA) where: Base-Base interactions energy: -189.873 where: short stacking energy: -115.189 Base-Backbone interact. energy: -0.254 local terms energy: -182.399914 where: bonds (distance) C4'-P energy: -43.066 bonds (distance) P-C4' energy: -55.625 flat angles C4'-P-C4' energy: -54.373 flat angles P-C4'-P energy: -16.292 tors. eta vs tors. theta energy: -13.045 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: 1, replica: 5 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1046.443482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.443482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.443482 (E_RNA) where: Base-Base interactions energy: -707.818 where: short stacking energy: -320.948 Base-Backbone interact. energy: -0.540 local terms energy: -338.085437 where: bonds (distance) C4'-P energy: -47.633 bonds (distance) P-C4' energy: -62.097 flat angles C4'-P-C4' energy: -83.133 flat angles P-C4'-P energy: -53.403 tors. eta vs tors. theta energy: -91.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -981.085439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.085439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.085439 (E_RNA) where: Base-Base interactions energy: -647.543 where: short stacking energy: -277.774 Base-Backbone interact. energy: -1.145 local terms energy: -332.396654 where: bonds (distance) C4'-P energy: -69.854 bonds (distance) P-C4' energy: -67.598 flat angles C4'-P-C4' energy: -73.983 flat angles P-C4'-P energy: -47.194 tors. eta vs tors. theta energy: -73.768 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: 1 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -894.506010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.506010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.506010 (E_RNA) where: Base-Base interactions energy: -575.323 where: short stacking energy: -270.804 Base-Backbone interact. energy: -3.210 local terms energy: -315.972548 where: bonds (distance) C4'-P energy: -59.036 bonds (distance) P-C4' energy: -73.016 flat angles C4'-P-C4' energy: -61.006 flat angles P-C4'-P energy: -45.002 tors. eta vs tors. theta energy: -77.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -877.099623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.099623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.099623 (E_RNA) where: Base-Base interactions energy: -568.906 where: short stacking energy: -242.795 Base-Backbone interact. energy: 0.159 local terms energy: -308.352860 where: bonds (distance) C4'-P energy: -65.394 bonds (distance) P-C4' energy: -68.855 flat angles C4'-P-C4' energy: -59.917 flat angles P-C4'-P energy: -51.062 tors. eta vs tors. theta energy: -63.126 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: 7 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -697.296761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.296761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.296761 (E_RNA) where: Base-Base interactions energy: -446.269 where: short stacking energy: -207.877 Base-Backbone interact. energy: 0.534 local terms energy: -251.562065 where: bonds (distance) C4'-P energy: -57.009 bonds (distance) P-C4' energy: -64.616 flat angles C4'-P-C4' energy: -51.832 flat angles P-C4'-P energy: -31.357 tors. eta vs tors. theta energy: -46.748 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: 6, replica: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -768.160902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.160902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.160902 (E_RNA) where: Base-Base interactions energy: -492.928 where: short stacking energy: -241.577 Base-Backbone interact. energy: -0.630 local terms energy: -274.603463 where: bonds (distance) C4'-P energy: -49.119 bonds (distance) P-C4' energy: -65.150 flat angles C4'-P-C4' energy: -54.209 flat angles P-C4'-P energy: -42.283 tors. eta vs tors. theta energy: -63.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -643.739228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.739228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.739228 (E_RNA) where: Base-Base interactions energy: -381.745 where: short stacking energy: -195.936 Base-Backbone interact. energy: 0.607 local terms energy: -262.601511 where: bonds (distance) C4'-P energy: -61.631 bonds (distance) P-C4' energy: -63.263 flat angles C4'-P-C4' energy: -63.028 flat angles P-C4'-P energy: -32.054 tors. eta vs tors. theta energy: -42.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -447.807848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.807848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.807848 (E_RNA) where: Base-Base interactions energy: -239.785 where: short stacking energy: -142.888 Base-Backbone interact. energy: -1.574 local terms energy: -206.448409 where: bonds (distance) C4'-P energy: -43.242 bonds (distance) P-C4' energy: -73.997 flat angles C4'-P-C4' energy: -46.649 flat angles P-C4'-P energy: -37.239 tors. eta vs tors. theta energy: -5.322 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: 10 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -411.700987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.700987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.700987 (E_RNA) where: Base-Base interactions energy: -221.783 where: short stacking energy: -104.755 Base-Backbone interact. energy: 0.500 local terms energy: -190.417913 where: bonds (distance) C4'-P energy: -63.354 bonds (distance) P-C4' energy: -54.419 flat angles C4'-P-C4' energy: -44.214 flat angles P-C4'-P energy: -39.279 tors. eta vs tors. theta energy: 10.848 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: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -367.226798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.226798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.226798 (E_RNA) where: Base-Base interactions energy: -175.276 where: short stacking energy: -111.904 Base-Backbone interact. energy: -1.912 local terms energy: -190.038842 where: bonds (distance) C4'-P energy: -46.776 bonds (distance) P-C4' energy: -64.370 flat angles C4'-P-C4' energy: -43.476 flat angles P-C4'-P energy: -31.211 tors. eta vs tors. theta energy: -4.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1061.715112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.715112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.715112 (E_RNA) where: Base-Base interactions energy: -731.929 where: short stacking energy: -322.268 Base-Backbone interact. energy: 1.825 local terms energy: -331.610394 where: bonds (distance) C4'-P energy: -60.791 bonds (distance) P-C4' energy: -69.593 flat angles C4'-P-C4' energy: -70.826 flat angles P-C4'-P energy: -50.034 tors. eta vs tors. theta energy: -80.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -978.748049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.748049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.748049 (E_RNA) where: Base-Base interactions energy: -659.122 where: short stacking energy: -305.284 Base-Backbone interact. energy: -0.979 local terms energy: -318.647048 where: bonds (distance) C4'-P energy: -59.400 bonds (distance) P-C4' energy: -65.558 flat angles C4'-P-C4' energy: -68.874 flat angles P-C4'-P energy: -41.898 tors. eta vs tors. theta energy: -82.918 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: 1 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -931.481684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.481684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.481684 (E_RNA) where: Base-Base interactions energy: -619.866 where: short stacking energy: -285.533 Base-Backbone interact. energy: -1.061 local terms energy: -310.554837 where: bonds (distance) C4'-P energy: -64.271 bonds (distance) P-C4' energy: -66.044 flat angles C4'-P-C4' energy: -64.242 flat angles P-C4'-P energy: -40.694 tors. eta vs tors. theta energy: -75.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -848.887291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.887291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.887291 (E_RNA) where: Base-Base interactions energy: -574.394 where: short stacking energy: -267.765 Base-Backbone interact. energy: 1.889 local terms energy: -276.382512 where: bonds (distance) C4'-P energy: -47.077 bonds (distance) P-C4' energy: -66.956 flat angles C4'-P-C4' energy: -63.140 flat angles P-C4'-P energy: -38.059 tors. eta vs tors. theta energy: -61.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -798.881016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.881016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.881016 (E_RNA) where: Base-Base interactions energy: -514.353 where: short stacking energy: -232.722 Base-Backbone interact. energy: -1.829 local terms energy: -282.698762 where: bonds (distance) C4'-P energy: -59.881 bonds (distance) P-C4' energy: -65.699 flat angles C4'-P-C4' energy: -59.895 flat angles P-C4'-P energy: -40.836 tors. eta vs tors. theta energy: -56.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -716.184793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.184793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.184793 (E_RNA) where: Base-Base interactions energy: -457.860 where: short stacking energy: -227.657 Base-Backbone interact. energy: 3.239 local terms energy: -261.564249 where: bonds (distance) C4'-P energy: -54.292 bonds (distance) P-C4' energy: -60.371 flat angles C4'-P-C4' energy: -56.860 flat angles P-C4'-P energy: -34.633 tors. eta vs tors. theta energy: -55.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -642.806581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.806581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.806581 (E_RNA) where: Base-Base interactions energy: -381.164 where: short stacking energy: -203.036 Base-Backbone interact. energy: 0.575 local terms energy: -262.217238 where: bonds (distance) C4'-P energy: -52.037 bonds (distance) P-C4' energy: -54.166 flat angles C4'-P-C4' energy: -56.646 flat angles P-C4'-P energy: -49.546 tors. eta vs tors. theta energy: -49.821 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: 34 Temperature: 1.250000 Total energy: -378.239377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.239377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.239377 (E_RNA) where: Base-Base interactions energy: -170.630 where: short stacking energy: -119.457 Base-Backbone interact. energy: -1.864 local terms energy: -205.745610 where: bonds (distance) C4'-P energy: -62.623 bonds (distance) P-C4' energy: -60.018 flat angles C4'-P-C4' energy: -54.864 flat angles P-C4'-P energy: -27.157 tors. eta vs tors. theta energy: -1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -404.948824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.948824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.948824 (E_RNA) where: Base-Base interactions energy: -220.451 where: short stacking energy: -119.656 Base-Backbone interact. energy: -1.104 local terms energy: -183.393905 where: bonds (distance) C4'-P energy: -43.737 bonds (distance) P-C4' energy: -63.068 flat angles C4'-P-C4' energy: -44.128 flat angles P-C4'-P energy: -25.498 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: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -397.934130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.934130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.934130 (E_RNA) where: Base-Base interactions energy: -223.562 where: short stacking energy: -111.451 Base-Backbone interact. energy: 0.042 local terms energy: -174.413684 where: bonds (distance) C4'-P energy: -47.965 bonds (distance) P-C4' energy: -51.539 flat angles C4'-P-C4' energy: -46.721 flat angles P-C4'-P energy: -30.286 tors. eta vs tors. theta energy: 2.098 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: 35 Temperature: 0.900000 Total energy: -1056.649594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.649594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.649594 (E_RNA) where: Base-Base interactions energy: -734.847 where: short stacking energy: -319.260 Base-Backbone interact. energy: -1.192 local terms energy: -320.610410 where: bonds (distance) C4'-P energy: -55.870 bonds (distance) P-C4' energy: -61.500 flat angles C4'-P-C4' energy: -80.714 flat angles P-C4'-P energy: -36.486 tors. eta vs tors. theta energy: -86.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -968.736466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.736466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.736466 (E_RNA) where: Base-Base interactions energy: -637.351 where: short stacking energy: -271.899 Base-Backbone interact. energy: 0.709 local terms energy: -332.094172 where: bonds (distance) C4'-P energy: -69.504 bonds (distance) P-C4' energy: -58.184 flat angles C4'-P-C4' energy: -74.602 flat angles P-C4'-P energy: -53.416 tors. eta vs tors. theta energy: -76.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -895.374345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.374345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.374345 (E_RNA) where: Base-Base interactions energy: -599.341 where: short stacking energy: -251.943 Base-Backbone interact. energy: -2.739 local terms energy: -293.294723 where: bonds (distance) C4'-P energy: -69.595 bonds (distance) P-C4' energy: -57.172 flat angles C4'-P-C4' energy: -59.406 flat angles P-C4'-P energy: -45.377 tors. eta vs tors. theta energy: -61.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -857.889144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.889144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.889144 (E_RNA) where: Base-Base interactions energy: -566.740 where: short stacking energy: -260.977 Base-Backbone interact. energy: -1.901 local terms energy: -289.248067 where: bonds (distance) C4'-P energy: -61.674 bonds (distance) P-C4' energy: -63.218 flat angles C4'-P-C4' energy: -72.645 flat angles P-C4'-P energy: -33.671 tors. eta vs tors. theta energy: -58.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -780.983709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.983709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.983709 (E_RNA) where: Base-Base interactions energy: -493.936 where: short stacking energy: -216.229 Base-Backbone interact. energy: -3.776 local terms energy: -283.272339 where: bonds (distance) C4'-P energy: -54.945 bonds (distance) P-C4' energy: -51.437 flat angles C4'-P-C4' energy: -66.213 flat angles P-C4'-P energy: -45.257 tors. eta vs tors. theta energy: -65.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -706.576518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.576518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.576518 (E_RNA) where: Base-Base interactions energy: -456.392 where: short stacking energy: -209.128 Base-Backbone interact. energy: -1.514 local terms energy: -248.670663 where: bonds (distance) C4'-P energy: -55.491 bonds (distance) P-C4' energy: -66.552 flat angles C4'-P-C4' energy: -53.150 flat angles P-C4'-P energy: -34.308 tors. eta vs tors. theta energy: -39.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -635.369120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.369120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.369120 (E_RNA) where: Base-Base interactions energy: -376.184 where: short stacking energy: -189.727 Base-Backbone interact. energy: -0.583 local terms energy: -258.601698 where: bonds (distance) C4'-P energy: -55.307 bonds (distance) P-C4' energy: -59.007 flat angles C4'-P-C4' energy: -56.934 flat angles P-C4'-P energy: -50.470 tors. eta vs tors. theta energy: -36.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -472.854549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.854549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.854549 (E_RNA) where: Base-Base interactions energy: -274.050 where: short stacking energy: -150.991 Base-Backbone interact. energy: -1.534 local terms energy: -197.270274 where: bonds (distance) C4'-P energy: -55.556 bonds (distance) P-C4' energy: -47.734 flat angles C4'-P-C4' energy: -39.748 flat angles P-C4'-P energy: -30.275 tors. eta vs tors. theta energy: -23.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -307.427054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.427054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.427054 (E_RNA) where: Base-Base interactions energy: -127.870 where: short stacking energy: -96.848 Base-Backbone interact. energy: -0.175 local terms energy: -179.381160 where: bonds (distance) C4'-P energy: -51.642 bonds (distance) P-C4' energy: -67.256 flat angles C4'-P-C4' energy: -43.987 flat angles P-C4'-P energy: -22.427 tors. eta vs tors. theta energy: 5.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -403.726587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.726587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.726587 (E_RNA) where: Base-Base interactions energy: -195.336 where: short stacking energy: -104.996 Base-Backbone interact. energy: -1.490 local terms energy: -206.900297 where: bonds (distance) C4'-P energy: -52.461 bonds (distance) P-C4' energy: -72.151 flat angles C4'-P-C4' energy: -40.223 flat angles P-C4'-P energy: -28.694 tors. eta vs tors. theta energy: -13.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1056.085228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.085228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.085228 (E_RNA) where: Base-Base interactions energy: -726.322 where: short stacking energy: -308.667 Base-Backbone interact. energy: -1.142 local terms energy: -328.621426 where: bonds (distance) C4'-P energy: -60.789 bonds (distance) P-C4' energy: -68.826 flat angles C4'-P-C4' energy: -71.891 flat angles P-C4'-P energy: -44.348 tors. eta vs tors. theta energy: -82.768 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: 3 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -980.478628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.478628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.478628 (E_RNA) where: Base-Base interactions energy: -655.193 where: short stacking energy: -295.890 Base-Backbone interact. energy: -1.745 local terms energy: -323.540461 where: bonds (distance) C4'-P energy: -59.245 bonds (distance) P-C4' energy: -66.210 flat angles C4'-P-C4' energy: -65.029 flat angles P-C4'-P energy: -51.593 tors. eta vs tors. theta energy: -81.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -898.374842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.374842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.374842 (E_RNA) where: Base-Base interactions energy: -584.445 where: short stacking energy: -285.886 Base-Backbone interact. energy: -1.462 local terms energy: -312.468193 where: bonds (distance) C4'-P energy: -61.224 bonds (distance) P-C4' energy: -63.780 flat angles C4'-P-C4' energy: -69.911 flat angles P-C4'-P energy: -41.293 tors. eta vs tors. theta energy: -76.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -850.564938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.564938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.564938 (E_RNA) where: Base-Base interactions energy: -572.494 where: short stacking energy: -229.144 Base-Backbone interact. energy: -0.595 local terms energy: -277.476638 where: bonds (distance) C4'-P energy: -59.128 bonds (distance) P-C4' energy: -67.171 flat angles C4'-P-C4' energy: -63.464 flat angles P-C4'-P energy: -34.584 tors. eta vs tors. theta energy: -53.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -791.130993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.130993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.130993 (E_RNA) where: Base-Base interactions energy: -537.241 where: short stacking energy: -246.869 Base-Backbone interact. energy: -1.368 local terms energy: -252.521378 where: bonds (distance) C4'-P energy: -62.722 bonds (distance) P-C4' energy: -52.811 flat angles C4'-P-C4' energy: -62.814 flat angles P-C4'-P energy: -19.106 tors. eta vs tors. theta energy: -55.069 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: 6, replica: 7 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -719.168825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.168825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.168825 (E_RNA) where: Base-Base interactions energy: -444.809 where: short stacking energy: -221.595 Base-Backbone interact. energy: -2.330 local terms energy: -272.030026 where: bonds (distance) C4'-P energy: -51.213 bonds (distance) P-C4' energy: -53.688 flat angles C4'-P-C4' energy: -66.693 flat angles P-C4'-P energy: -41.340 tors. eta vs tors. theta energy: -59.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -649.917183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.917183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.917183 (E_RNA) where: Base-Base interactions energy: -401.398 where: short stacking energy: -204.951 Base-Backbone interact. energy: -0.389 local terms energy: -248.130611 where: bonds (distance) C4'-P energy: -59.198 bonds (distance) P-C4' energy: -60.082 flat angles C4'-P-C4' energy: -54.647 flat angles P-C4'-P energy: -31.719 tors. eta vs tors. theta energy: -42.484 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: 8 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -418.973904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.973904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.973904 (E_RNA) where: Base-Base interactions energy: -220.686 where: short stacking energy: -124.762 Base-Backbone interact. energy: 0.865 local terms energy: -199.152663 where: bonds (distance) C4'-P energy: -54.013 bonds (distance) P-C4' energy: -54.992 flat angles C4'-P-C4' energy: -47.973 flat angles P-C4'-P energy: -36.719 tors. eta vs tors. theta energy: -5.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -404.590161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.590161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.590161 (E_RNA) where: Base-Base interactions energy: -208.264 where: short stacking energy: -117.766 Base-Backbone interact. energy: -0.064 local terms energy: -196.261640 where: bonds (distance) C4'-P energy: -50.832 bonds (distance) P-C4' energy: -54.121 flat angles C4'-P-C4' energy: -50.671 flat angles P-C4'-P energy: -32.866 tors. eta vs tors. theta energy: -7.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -291.782144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.782144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.782144 (E_RNA) where: Base-Base interactions energy: -109.475 where: short stacking energy: -79.772 Base-Backbone interact. energy: 0.843 local terms energy: -183.150603 where: bonds (distance) C4'-P energy: -52.000 bonds (distance) P-C4' energy: -57.708 flat angles C4'-P-C4' energy: -48.593 flat angles P-C4'-P energy: -40.331 tors. eta vs tors. theta energy: 15.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1064.092579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.092579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.092579 (E_RNA) where: Base-Base interactions energy: -726.833 where: short stacking energy: -320.722 Base-Backbone interact. energy: -0.675 local terms energy: -336.584598 where: bonds (distance) C4'-P energy: -59.819 bonds (distance) P-C4' energy: -67.009 flat angles C4'-P-C4' energy: -75.391 flat angles P-C4'-P energy: -47.989 tors. eta vs tors. theta energy: -86.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -992.545084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.545084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.545084 (E_RNA) where: Base-Base interactions energy: -666.851 where: short stacking energy: -293.954 Base-Backbone interact. energy: -3.379 local terms energy: -322.314542 where: bonds (distance) C4'-P energy: -62.508 bonds (distance) P-C4' energy: -58.051 flat angles C4'-P-C4' energy: -73.291 flat angles P-C4'-P energy: -45.615 tors. eta vs tors. theta energy: -82.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -897.717848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.717848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.717848 (E_RNA) where: Base-Base interactions energy: -596.496 where: short stacking energy: -256.328 Base-Backbone interact. energy: -0.796 local terms energy: -300.425823 where: bonds (distance) C4'-P energy: -63.127 bonds (distance) P-C4' energy: -52.848 flat angles C4'-P-C4' energy: -63.613 flat angles P-C4'-P energy: -49.326 tors. eta vs tors. theta energy: -71.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -869.865290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.865290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.865290 (E_RNA) where: Base-Base interactions energy: -576.735 where: short stacking energy: -246.492 Base-Backbone interact. energy: -1.560 local terms energy: -291.570330 where: bonds (distance) C4'-P energy: -64.653 bonds (distance) P-C4' energy: -60.937 flat angles C4'-P-C4' energy: -68.339 flat angles P-C4'-P energy: -37.307 tors. eta vs tors. theta energy: -60.335 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: 37 Temperature: 1.100000 Total energy: -809.085946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.085946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.085946 (E_RNA) where: Base-Base interactions energy: -527.504 where: short stacking energy: -267.413 Base-Backbone interact. energy: -0.481 local terms energy: -281.101016 where: bonds (distance) C4'-P energy: -55.804 bonds (distance) P-C4' energy: -53.623 flat angles C4'-P-C4' energy: -65.151 flat angles P-C4'-P energy: -44.997 tors. eta vs tors. theta energy: -61.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -708.866839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.866839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.866839 (E_RNA) where: Base-Base interactions energy: -430.347 where: short stacking energy: -224.619 Base-Backbone interact. energy: -0.019 local terms energy: -278.501159 where: bonds (distance) C4'-P energy: -57.463 bonds (distance) P-C4' energy: -61.644 flat angles C4'-P-C4' energy: -64.977 flat angles P-C4'-P energy: -42.092 tors. eta vs tors. theta energy: -52.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -626.639959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.639959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.639959 (E_RNA) where: Base-Base interactions energy: -394.960 where: short stacking energy: -190.457 Base-Backbone interact. energy: 0.073 local terms energy: -231.753239 where: bonds (distance) C4'-P energy: -46.036 bonds (distance) P-C4' energy: -60.187 flat angles C4'-P-C4' energy: -55.360 flat angles P-C4'-P energy: -31.008 tors. eta vs tors. theta energy: -39.162 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: 37 Temperature: 1.250000 Total energy: -451.106721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.106721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.106721 (E_RNA) where: Base-Base interactions energy: -227.107 where: short stacking energy: -138.299 Base-Backbone interact. energy: 0.209 local terms energy: -224.209251 where: bonds (distance) C4'-P energy: -60.025 bonds (distance) P-C4' energy: -55.675 flat angles C4'-P-C4' energy: -50.508 flat angles P-C4'-P energy: -31.828 tors. eta vs tors. theta energy: -26.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -447.074253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.074253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.074253 (E_RNA) where: Base-Base interactions energy: -250.957 where: short stacking energy: -113.933 Base-Backbone interact. energy: -0.859 local terms energy: -195.258402 where: bonds (distance) C4'-P energy: -52.422 bonds (distance) P-C4' energy: -64.623 flat angles C4'-P-C4' energy: -43.445 flat angles P-C4'-P energy: -30.155 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: 10, replica: 4 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -287.922150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.922150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.922150 (E_RNA) where: Base-Base interactions energy: -119.681 where: short stacking energy: -85.477 Base-Backbone interact. energy: 1.689 local terms energy: -169.930391 where: bonds (distance) C4'-P energy: -46.602 bonds (distance) P-C4' energy: -60.315 flat angles C4'-P-C4' energy: -40.380 flat angles P-C4'-P energy: -27.125 tors. eta vs tors. theta energy: 4.491 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: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1038.366304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.366304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.366304 (E_RNA) where: Base-Base interactions energy: -682.559 where: short stacking energy: -308.267 Base-Backbone interact. energy: -0.919 local terms energy: -354.888122 where: bonds (distance) C4'-P energy: -57.626 bonds (distance) P-C4' energy: -73.496 flat angles C4'-P-C4' energy: -74.769 flat angles P-C4'-P energy: -55.673 tors. eta vs tors. theta energy: -93.325 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: 5 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1040.482617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.482617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.482617 (E_RNA) where: Base-Base interactions energy: -698.487 where: short stacking energy: -316.213 Base-Backbone interact. energy: -1.767 local terms energy: -340.228173 where: bonds (distance) C4'-P energy: -65.412 bonds (distance) P-C4' energy: -68.596 flat angles C4'-P-C4' energy: -67.516 flat angles P-C4'-P energy: -53.277 tors. eta vs tors. theta energy: -85.427 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: 1 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -917.496699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.496699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.496699 (E_RNA) where: Base-Base interactions energy: -588.523 where: short stacking energy: -284.207 Base-Backbone interact. energy: -2.182 local terms energy: -326.791509 where: bonds (distance) C4'-P energy: -67.397 bonds (distance) P-C4' energy: -61.324 flat angles C4'-P-C4' energy: -65.743 flat angles P-C4'-P energy: -50.676 tors. eta vs tors. theta energy: -81.651 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: 9 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -849.562546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.562546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.562546 (E_RNA) where: Base-Base interactions energy: -571.860 where: short stacking energy: -265.031 Base-Backbone interact. energy: -1.172 local terms energy: -276.530776 where: bonds (distance) C4'-P energy: -53.013 bonds (distance) P-C4' energy: -58.175 flat angles C4'-P-C4' energy: -59.965 flat angles P-C4'-P energy: -42.476 tors. eta vs tors. theta energy: -62.902 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: 6 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -818.740444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.740444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.740444 (E_RNA) where: Base-Base interactions energy: -517.082 where: short stacking energy: -243.560 Base-Backbone interact. energy: -1.344 local terms energy: -300.314202 where: bonds (distance) C4'-P energy: -60.866 bonds (distance) P-C4' energy: -51.445 flat angles C4'-P-C4' energy: -67.335 flat angles P-C4'-P energy: -52.180 tors. eta vs tors. theta energy: -68.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -712.825998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.825998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.825998 (E_RNA) where: Base-Base interactions energy: -449.923 where: short stacking energy: -226.423 Base-Backbone interact. energy: 0.842 local terms energy: -263.745311 where: bonds (distance) C4'-P energy: -57.934 bonds (distance) P-C4' energy: -61.512 flat angles C4'-P-C4' energy: -55.176 flat angles P-C4'-P energy: -35.084 tors. eta vs tors. theta energy: -54.038 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: 7 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -628.822891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.822891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.822891 (E_RNA) where: Base-Base interactions energy: -403.106 where: short stacking energy: -188.046 Base-Backbone interact. energy: -1.961 local terms energy: -223.756349 where: bonds (distance) C4'-P energy: -51.677 bonds (distance) P-C4' energy: -48.135 flat angles C4'-P-C4' energy: -59.564 flat angles P-C4'-P energy: -38.383 tors. eta vs tors. theta energy: -25.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -450.683462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.683462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.683462 (E_RNA) where: Base-Base interactions energy: -218.951 where: short stacking energy: -140.144 Base-Backbone interact. energy: -0.072 local terms energy: -231.660067 where: bonds (distance) C4'-P energy: -49.121 bonds (distance) P-C4' energy: -67.793 flat angles C4'-P-C4' energy: -50.321 flat angles P-C4'-P energy: -38.065 tors. eta vs tors. theta energy: -26.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -476.800396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.800396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.800396 (E_RNA) where: Base-Base interactions energy: -278.680 where: short stacking energy: -138.910 Base-Backbone interact. energy: -1.356 local terms energy: -196.764788 where: bonds (distance) C4'-P energy: -48.263 bonds (distance) P-C4' energy: -52.372 flat angles C4'-P-C4' energy: -49.953 flat angles P-C4'-P energy: -31.239 tors. eta vs tors. theta energy: -14.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -310.851488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.851488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.851488 (E_RNA) where: Base-Base interactions energy: -116.423 where: short stacking energy: -85.955 Base-Backbone interact. energy: -0.955 local terms energy: -193.473643 where: bonds (distance) C4'-P energy: -51.423 bonds (distance) P-C4' energy: -63.994 flat angles C4'-P-C4' energy: -58.406 flat angles P-C4'-P energy: -30.253 tors. eta vs tors. theta energy: 10.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1030.189287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.189287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.189287 (E_RNA) where: Base-Base interactions energy: -690.745 where: short stacking energy: -300.957 Base-Backbone interact. energy: -1.809 local terms energy: -337.635043 where: bonds (distance) C4'-P energy: -68.458 bonds (distance) P-C4' energy: -69.139 flat angles C4'-P-C4' energy: -65.410 flat angles P-C4'-P energy: -53.730 tors. eta vs tors. theta energy: -80.899 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: 5 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1048.065867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.065867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.065867 (E_RNA) where: Base-Base interactions energy: -702.319 where: short stacking energy: -315.426 Base-Backbone interact. energy: -0.598 local terms energy: -345.148897 where: bonds (distance) C4'-P energy: -61.463 bonds (distance) P-C4' energy: -70.882 flat angles C4'-P-C4' energy: -76.030 flat angles P-C4'-P energy: -51.252 tors. eta vs tors. theta energy: -85.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -923.616103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.616103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.616103 (E_RNA) where: Base-Base interactions energy: -613.141 where: short stacking energy: -289.127 Base-Backbone interact. energy: -0.963 local terms energy: -309.512579 where: bonds (distance) C4'-P energy: -61.776 bonds (distance) P-C4' energy: -62.430 flat angles C4'-P-C4' energy: -70.720 flat angles P-C4'-P energy: -38.655 tors. eta vs tors. theta energy: -75.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -849.213021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.213021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.213021 (E_RNA) where: Base-Base interactions energy: -546.676 where: short stacking energy: -280.085 Base-Backbone interact. energy: -0.442 local terms energy: -302.094704 where: bonds (distance) C4'-P energy: -72.151 bonds (distance) P-C4' energy: -57.903 flat angles C4'-P-C4' energy: -64.501 flat angles P-C4'-P energy: -42.269 tors. eta vs tors. theta energy: -65.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -806.490185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.490185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.490185 (E_RNA) where: Base-Base interactions energy: -530.830 where: short stacking energy: -246.200 Base-Backbone interact. energy: -1.142 local terms energy: -274.517997 where: bonds (distance) C4'-P energy: -64.794 bonds (distance) P-C4' energy: -52.858 flat angles C4'-P-C4' energy: -62.568 flat angles P-C4'-P energy: -30.322 tors. eta vs tors. theta energy: -63.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -700.464719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.464719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.464719 (E_RNA) where: Base-Base interactions energy: -437.485 where: short stacking energy: -229.594 Base-Backbone interact. energy: 0.862 local terms energy: -263.841527 where: bonds (distance) C4'-P energy: -55.206 bonds (distance) P-C4' energy: -62.036 flat angles C4'-P-C4' energy: -61.676 flat angles P-C4'-P energy: -34.681 tors. eta vs tors. theta energy: -50.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -626.363653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.363653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.363653 (E_RNA) where: Base-Base interactions energy: -395.189 where: short stacking energy: -211.578 Base-Backbone interact. energy: 1.175 local terms energy: -232.350314 where: bonds (distance) C4'-P energy: -56.491 bonds (distance) P-C4' energy: -41.203 flat angles C4'-P-C4' energy: -54.277 flat angles P-C4'-P energy: -38.741 tors. eta vs tors. theta energy: -41.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -545.640462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.640462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.640462 (E_RNA) where: Base-Base interactions energy: -318.315 where: short stacking energy: -154.294 Base-Backbone interact. energy: -0.386 local terms energy: -226.938950 where: bonds (distance) C4'-P energy: -50.985 bonds (distance) P-C4' energy: -58.381 flat angles C4'-P-C4' energy: -55.912 flat angles P-C4'-P energy: -25.431 tors. eta vs tors. theta energy: -36.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -428.463528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.463528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.463528 (E_RNA) where: Base-Base interactions energy: -229.405 where: short stacking energy: -122.816 Base-Backbone interact. energy: 2.982 local terms energy: -202.040730 where: bonds (distance) C4'-P energy: -56.656 bonds (distance) P-C4' energy: -61.807 flat angles C4'-P-C4' energy: -44.546 flat angles P-C4'-P energy: -31.355 tors. eta vs tors. theta energy: -7.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -326.121017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.121017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.121017 (E_RNA) where: Base-Base interactions energy: -136.220 where: short stacking energy: -120.950 Base-Backbone interact. energy: 3.031 local terms energy: -192.931625 where: bonds (distance) C4'-P energy: -58.586 bonds (distance) P-C4' energy: -48.496 flat angles C4'-P-C4' energy: -54.775 flat angles P-C4'-P energy: -32.493 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: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1019.584247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.584247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.584247 (E_RNA) where: Base-Base interactions energy: -692.998 where: short stacking energy: -298.007 Base-Backbone interact. energy: -2.430 local terms energy: -324.155740 where: bonds (distance) C4'-P energy: -62.142 bonds (distance) P-C4' energy: -71.270 flat angles C4'-P-C4' energy: -72.860 flat angles P-C4'-P energy: -36.875 tors. eta vs tors. theta energy: -81.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1042.923005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.923005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.923005 (E_RNA) where: Base-Base interactions energy: -712.619 where: short stacking energy: -330.781 Base-Backbone interact. energy: -0.454 local terms energy: -329.849995 where: bonds (distance) C4'-P energy: -60.821 bonds (distance) P-C4' energy: -62.695 flat angles C4'-P-C4' energy: -70.878 flat angles P-C4'-P energy: -43.895 tors. eta vs tors. theta energy: -91.561 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: 3, replica: 6 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -889.356181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.356181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.356181 (E_RNA) where: Base-Base interactions energy: -573.910 where: short stacking energy: -259.151 Base-Backbone interact. energy: -1.220 local terms energy: -314.226283 where: bonds (distance) C4'-P energy: -56.022 bonds (distance) P-C4' energy: -71.186 flat angles C4'-P-C4' energy: -61.991 flat angles P-C4'-P energy: -47.586 tors. eta vs tors. theta energy: -77.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -897.298622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.298622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.298622 (E_RNA) where: Base-Base interactions energy: -603.427 where: short stacking energy: -274.804 Base-Backbone interact. energy: -1.736 local terms energy: -292.135679 where: bonds (distance) C4'-P energy: -61.320 bonds (distance) P-C4' energy: -65.037 flat angles C4'-P-C4' energy: -59.052 flat angles P-C4'-P energy: -41.890 tors. eta vs tors. theta energy: -64.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -751.010807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.010807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.010807 (E_RNA) where: Base-Base interactions energy: -489.194 where: short stacking energy: -226.527 Base-Backbone interact. energy: -0.611 local terms energy: -261.205806 where: bonds (distance) C4'-P energy: -39.377 bonds (distance) P-C4' energy: -57.311 flat angles C4'-P-C4' energy: -60.201 flat angles P-C4'-P energy: -50.152 tors. eta vs tors. theta energy: -54.165 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: 6, replica: 2 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -712.881924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.881924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.881924 (E_RNA) where: Base-Base interactions energy: -444.024 where: short stacking energy: -214.058 Base-Backbone interact. energy: -1.921 local terms energy: -266.936521 where: bonds (distance) C4'-P energy: -60.373 bonds (distance) P-C4' energy: -55.125 flat angles C4'-P-C4' energy: -59.213 flat angles P-C4'-P energy: -46.964 tors. eta vs tors. theta energy: -45.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -621.268038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.268038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.268038 (E_RNA) where: Base-Base interactions energy: -388.388 where: short stacking energy: -166.490 Base-Backbone interact. energy: 0.537 local terms energy: -233.416943 where: bonds (distance) C4'-P energy: -64.529 bonds (distance) P-C4' energy: -49.997 flat angles C4'-P-C4' energy: -60.692 flat angles P-C4'-P energy: -26.978 tors. eta vs tors. theta energy: -31.221 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: 8, replica: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -486.692003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.692003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.692003 (E_RNA) where: Base-Base interactions energy: -264.134 where: short stacking energy: -142.292 Base-Backbone interact. energy: -1.681 local terms energy: -220.876661 where: bonds (distance) C4'-P energy: -49.284 bonds (distance) P-C4' energy: -62.196 flat angles C4'-P-C4' energy: -57.292 flat angles P-C4'-P energy: -34.020 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: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -414.815294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.815294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.815294 (E_RNA) where: Base-Base interactions energy: -202.352 where: short stacking energy: -122.972 Base-Backbone interact. energy: -0.408 local terms energy: -212.055871 where: bonds (distance) C4'-P energy: -44.294 bonds (distance) P-C4' energy: -58.516 flat angles C4'-P-C4' energy: -60.553 flat angles P-C4'-P energy: -38.535 tors. eta vs tors. theta energy: -10.159 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: 40 Temperature: 1.350000 Total energy: -293.956193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.956193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.956193 (E_RNA) where: Base-Base interactions energy: -119.409 where: short stacking energy: -92.036 Base-Backbone interact. energy: 0.586 local terms energy: -175.133269 where: bonds (distance) C4'-P energy: -42.998 bonds (distance) P-C4' energy: -61.224 flat angles C4'-P-C4' energy: -46.164 flat angles P-C4'-P energy: -25.864 tors. eta vs tors. theta energy: 1.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1029.721706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.721706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.721706 (E_RNA) where: Base-Base interactions energy: -701.357 where: short stacking energy: -293.377 Base-Backbone interact. energy: -2.441 local terms energy: -325.923902 where: bonds (distance) C4'-P energy: -61.967 bonds (distance) P-C4' energy: -66.751 flat angles C4'-P-C4' energy: -66.407 flat angles P-C4'-P energy: -48.907 tors. eta vs tors. theta energy: -81.892 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: 5 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1040.102876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.102876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.102876 (E_RNA) where: Base-Base interactions energy: -711.941 where: short stacking energy: -328.574 Base-Backbone interact. energy: 0.009 local terms energy: -328.171314 where: bonds (distance) C4'-P energy: -61.816 bonds (distance) P-C4' energy: -56.627 flat angles C4'-P-C4' energy: -74.809 flat angles P-C4'-P energy: -47.128 tors. eta vs tors. theta energy: -87.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -863.586361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.586361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.586361 (E_RNA) where: Base-Base interactions energy: -562.971 where: short stacking energy: -257.045 Base-Backbone interact. energy: -0.275 local terms energy: -300.340181 where: bonds (distance) C4'-P energy: -61.059 bonds (distance) P-C4' energy: -63.379 flat angles C4'-P-C4' energy: -65.334 flat angles P-C4'-P energy: -45.291 tors. eta vs tors. theta energy: -65.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -881.128874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.128874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.128874 (E_RNA) where: Base-Base interactions energy: -593.957 where: short stacking energy: -249.909 Base-Backbone interact. energy: -1.556 local terms energy: -285.615913 where: bonds (distance) C4'-P energy: -61.531 bonds (distance) P-C4' energy: -55.279 flat angles C4'-P-C4' energy: -61.636 flat angles P-C4'-P energy: -41.579 tors. eta vs tors. theta energy: -65.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -775.416233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.416233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.416233 (E_RNA) where: Base-Base interactions energy: -484.707 where: short stacking energy: -229.769 Base-Backbone interact. energy: -2.886 local terms energy: -287.823102 where: bonds (distance) C4'-P energy: -62.387 bonds (distance) P-C4' energy: -65.965 flat angles C4'-P-C4' energy: -59.660 flat angles P-C4'-P energy: -38.666 tors. eta vs tors. theta energy: -61.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -649.540513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.540513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.540513 (E_RNA) where: Base-Base interactions energy: -411.303 where: short stacking energy: -194.134 Base-Backbone interact. energy: 0.770 local terms energy: -239.006739 where: bonds (distance) C4'-P energy: -46.982 bonds (distance) P-C4' energy: -62.197 flat angles C4'-P-C4' energy: -59.149 flat angles P-C4'-P energy: -36.512 tors. eta vs tors. theta energy: -34.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -656.899594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.899594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.899594 (E_RNA) where: Base-Base interactions energy: -421.296 where: short stacking energy: -207.158 Base-Backbone interact. energy: -0.093 local terms energy: -235.511062 where: bonds (distance) C4'-P energy: -51.731 bonds (distance) P-C4' energy: -54.892 flat angles C4'-P-C4' energy: -53.385 flat angles P-C4'-P energy: -31.497 tors. eta vs tors. theta energy: -44.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -498.627539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.627539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.627539 (E_RNA) where: Base-Base interactions energy: -278.150 where: short stacking energy: -132.900 Base-Backbone interact. energy: -0.254 local terms energy: -220.223494 where: bonds (distance) C4'-P energy: -59.685 bonds (distance) P-C4' energy: -56.716 flat angles C4'-P-C4' energy: -50.721 flat angles P-C4'-P energy: -43.103 tors. eta vs tors. theta energy: -9.998 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: 9, replica: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -402.998780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.998780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.998780 (E_RNA) where: Base-Base interactions energy: -191.544 where: short stacking energy: -121.658 Base-Backbone interact. energy: 3.161 local terms energy: -214.615989 where: bonds (distance) C4'-P energy: -51.923 bonds (distance) P-C4' energy: -58.550 flat angles C4'-P-C4' energy: -55.041 flat angles P-C4'-P energy: -32.760 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: 10, replica: 4 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -284.046921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.046921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.046921 (E_RNA) where: Base-Base interactions energy: -118.419 where: short stacking energy: -99.851 Base-Backbone interact. energy: -0.258 local terms energy: -165.369867 where: bonds (distance) C4'-P energy: -51.974 bonds (distance) P-C4' energy: -45.722 flat angles C4'-P-C4' energy: -38.449 flat angles P-C4'-P energy: -27.642 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1062.353607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.353607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.353607 (E_RNA) where: Base-Base interactions energy: -726.395 where: short stacking energy: -334.432 Base-Backbone interact. energy: 0.445 local terms energy: -336.403491 where: bonds (distance) C4'-P energy: -65.307 bonds (distance) P-C4' energy: -64.136 flat angles C4'-P-C4' energy: -73.758 flat angles P-C4'-P energy: -38.743 tors. eta vs tors. theta energy: -94.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -980.206084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.206084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.206084 (E_RNA) where: Base-Base interactions energy: -660.544 where: short stacking energy: -293.507 Base-Backbone interact. energy: -1.370 local terms energy: -318.292211 where: bonds (distance) C4'-P energy: -64.239 bonds (distance) P-C4' energy: -57.131 flat angles C4'-P-C4' energy: -69.594 flat angles P-C4'-P energy: -46.413 tors. eta vs tors. theta energy: -80.916 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: 42 Temperature: 1.000000 Total energy: -930.462606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.462606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.462606 (E_RNA) where: Base-Base interactions energy: -622.154 where: short stacking energy: -291.084 Base-Backbone interact. energy: -1.647 local terms energy: -306.661159 where: bonds (distance) C4'-P energy: -64.127 bonds (distance) P-C4' energy: -62.372 flat angles C4'-P-C4' energy: -66.091 flat angles P-C4'-P energy: -33.366 tors. eta vs tors. theta energy: -80.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -865.001516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.001516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.001516 (E_RNA) where: Base-Base interactions energy: -551.056 where: short stacking energy: -256.715 Base-Backbone interact. energy: -0.722 local terms energy: -313.223910 where: bonds (distance) C4'-P energy: -67.518 bonds (distance) P-C4' energy: -55.931 flat angles C4'-P-C4' energy: -65.959 flat angles P-C4'-P energy: -42.876 tors. eta vs tors. theta energy: -80.939 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: 9 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -837.228657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.228657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.228657 (E_RNA) where: Base-Base interactions energy: -537.244 where: short stacking energy: -229.488 Base-Backbone interact. energy: -0.100 local terms energy: -299.884675 where: bonds (distance) C4'-P energy: -66.248 bonds (distance) P-C4' energy: -69.258 flat angles C4'-P-C4' energy: -66.923 flat angles P-C4'-P energy: -39.450 tors. eta vs tors. theta energy: -58.006 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: 7 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -659.808141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.808141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.808141 (E_RNA) where: Base-Base interactions energy: -416.920 where: short stacking energy: -220.359 Base-Backbone interact. energy: -1.506 local terms energy: -241.382582 where: bonds (distance) C4'-P energy: -53.450 bonds (distance) P-C4' energy: -58.330 flat angles C4'-P-C4' energy: -51.496 flat angles P-C4'-P energy: -30.515 tors. eta vs tors. theta energy: -47.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -686.301060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.301060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.301060 (E_RNA) where: Base-Base interactions energy: -459.038 where: short stacking energy: -205.324 Base-Backbone interact. energy: -0.611 local terms energy: -226.652535 where: bonds (distance) C4'-P energy: -52.047 bonds (distance) P-C4' energy: -42.428 flat angles C4'-P-C4' energy: -47.604 flat angles P-C4'-P energy: -37.345 tors. eta vs tors. theta energy: -47.228 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: 42 Temperature: 1.250000 Total energy: -509.306955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.306955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.306955 (E_RNA) where: Base-Base interactions energy: -278.539 where: short stacking energy: -154.177 Base-Backbone interact. energy: 0.421 local terms energy: -231.188922 where: bonds (distance) C4'-P energy: -63.110 bonds (distance) P-C4' energy: -53.034 flat angles C4'-P-C4' energy: -59.497 flat angles P-C4'-P energy: -38.623 tors. eta vs tors. theta energy: -16.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -401.872474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.872474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.872474 (E_RNA) where: Base-Base interactions energy: -217.695 where: short stacking energy: -123.595 Base-Backbone interact. energy: 1.836 local terms energy: -186.013921 where: bonds (distance) C4'-P energy: -63.411 bonds (distance) P-C4' energy: -43.061 flat angles C4'-P-C4' energy: -59.178 flat angles P-C4'-P energy: -11.031 tors. eta vs tors. theta energy: -9.332 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: 42 Temperature: 1.350000 Total energy: -295.017026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.017026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.017026 (E_RNA) where: Base-Base interactions energy: -101.532 where: short stacking energy: -94.626 Base-Backbone interact. energy: 0.495 local terms energy: -193.980636 where: bonds (distance) C4'-P energy: -51.423 bonds (distance) P-C4' energy: -55.920 flat angles C4'-P-C4' energy: -49.181 flat angles P-C4'-P energy: -38.736 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: 1, replica: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1059.467204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.467204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.467204 (E_RNA) where: Base-Base interactions energy: -712.599 where: short stacking energy: -328.530 Base-Backbone interact. energy: -1.196 local terms energy: -345.671664 where: bonds (distance) C4'-P energy: -61.070 bonds (distance) P-C4' energy: -65.567 flat angles C4'-P-C4' energy: -80.291 flat angles P-C4'-P energy: -46.436 tors. eta vs tors. theta energy: -92.306 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: 3 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -981.131273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.131273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.131273 (E_RNA) where: Base-Base interactions energy: -676.034 where: short stacking energy: -305.238 Base-Backbone interact. energy: -0.777 local terms energy: -304.320800 where: bonds (distance) C4'-P energy: -61.017 bonds (distance) P-C4' energy: -52.788 flat angles C4'-P-C4' energy: -68.315 flat angles P-C4'-P energy: -42.155 tors. eta vs tors. theta energy: -80.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -926.046002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.046002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.046002 (E_RNA) where: Base-Base interactions energy: -621.293 where: short stacking energy: -244.871 Base-Backbone interact. energy: -0.490 local terms energy: -304.263729 where: bonds (distance) C4'-P energy: -67.502 bonds (distance) P-C4' energy: -59.967 flat angles C4'-P-C4' energy: -65.137 flat angles P-C4'-P energy: -44.903 tors. eta vs tors. theta energy: -66.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -852.267309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.267309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.267309 (E_RNA) where: Base-Base interactions energy: -550.469 where: short stacking energy: -268.226 Base-Backbone interact. energy: 0.464 local terms energy: -302.262658 where: bonds (distance) C4'-P energy: -59.268 bonds (distance) P-C4' energy: -72.504 flat angles C4'-P-C4' energy: -66.238 flat angles P-C4'-P energy: -37.812 tors. eta vs tors. theta energy: -66.441 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: 9 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -822.325030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.325030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.325030 (E_RNA) where: Base-Base interactions energy: -514.414 where: short stacking energy: -245.847 Base-Backbone interact. energy: -1.601 local terms energy: -306.310362 where: bonds (distance) C4'-P energy: -63.218 bonds (distance) P-C4' energy: -67.764 flat angles C4'-P-C4' energy: -70.978 flat angles P-C4'-P energy: -46.548 tors. eta vs tors. theta energy: -57.802 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: 2 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -694.566392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.566392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.566392 (E_RNA) where: Base-Base interactions energy: -438.441 where: short stacking energy: -206.206 Base-Backbone interact. energy: -2.771 local terms energy: -253.355010 where: bonds (distance) C4'-P energy: -55.937 bonds (distance) P-C4' energy: -57.503 flat angles C4'-P-C4' energy: -51.273 flat angles P-C4'-P energy: -34.457 tors. eta vs tors. theta energy: -54.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -577.065432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.065432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.065432 (E_RNA) where: Base-Base interactions energy: -334.038 where: short stacking energy: -176.431 Base-Backbone interact. energy: 0.283 local terms energy: -243.309926 where: bonds (distance) C4'-P energy: -56.533 bonds (distance) P-C4' energy: -51.759 flat angles C4'-P-C4' energy: -71.744 flat angles P-C4'-P energy: -34.755 tors. eta vs tors. theta energy: -28.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -484.346753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.346753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.346753 (E_RNA) where: Base-Base interactions energy: -276.960 where: short stacking energy: -145.703 Base-Backbone interact. energy: 1.970 local terms energy: -209.356349 where: bonds (distance) C4'-P energy: -53.722 bonds (distance) P-C4' energy: -48.649 flat angles C4'-P-C4' energy: -57.077 flat angles P-C4'-P energy: -24.539 tors. eta vs tors. theta energy: -25.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -412.332388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.332388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.332388 (E_RNA) where: Base-Base interactions energy: -248.279 where: short stacking energy: -119.333 Base-Backbone interact. energy: 1.362 local terms energy: -165.415775 where: bonds (distance) C4'-P energy: -38.900 bonds (distance) P-C4' energy: -62.564 flat angles C4'-P-C4' energy: -40.723 flat angles P-C4'-P energy: -13.966 tors. eta vs tors. theta energy: -9.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -268.825844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.825844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.825844 (E_RNA) where: Base-Base interactions energy: -91.754 where: short stacking energy: -76.150 Base-Backbone interact. energy: -1.385 local terms energy: -175.686293 where: bonds (distance) C4'-P energy: -63.230 bonds (distance) P-C4' energy: -57.847 flat angles C4'-P-C4' energy: -36.623 flat angles P-C4'-P energy: -30.430 tors. eta vs tors. theta energy: 12.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1063.914845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.914845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.914845 (E_RNA) where: Base-Base interactions energy: -725.534 where: short stacking energy: -317.413 Base-Backbone interact. energy: -0.590 local terms energy: -337.790474 where: bonds (distance) C4'-P energy: -64.939 bonds (distance) P-C4' energy: -61.516 flat angles C4'-P-C4' energy: -68.987 flat angles P-C4'-P energy: -50.124 tors. eta vs tors. theta energy: -92.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -974.922613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.922613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.922613 (E_RNA) where: Base-Base interactions energy: -643.006 where: short stacking energy: -282.714 Base-Backbone interact. energy: -1.213 local terms energy: -330.703106 where: bonds (distance) C4'-P energy: -70.504 bonds (distance) P-C4' energy: -65.315 flat angles C4'-P-C4' energy: -74.925 flat angles P-C4'-P energy: -44.554 tors. eta vs tors. theta energy: -75.406 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: 1 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -956.185095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.185095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.185095 (E_RNA) where: Base-Base interactions energy: -635.440 where: short stacking energy: -268.802 Base-Backbone interact. energy: -3.595 local terms energy: -317.149731 where: bonds (distance) C4'-P energy: -64.257 bonds (distance) P-C4' energy: -67.467 flat angles C4'-P-C4' energy: -69.962 flat angles P-C4'-P energy: -38.327 tors. eta vs tors. theta energy: -77.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -871.552005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.552005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.552005 (E_RNA) where: Base-Base interactions energy: -572.514 where: short stacking energy: -263.353 Base-Backbone interact. energy: 0.138 local terms energy: -299.176422 where: bonds (distance) C4'-P energy: -53.498 bonds (distance) P-C4' energy: -67.415 flat angles C4'-P-C4' energy: -60.074 flat angles P-C4'-P energy: -48.044 tors. eta vs tors. theta energy: -70.146 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: 9 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -821.285261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.285261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.285261 (E_RNA) where: Base-Base interactions energy: -544.104 where: short stacking energy: -256.267 Base-Backbone interact. energy: 1.888 local terms energy: -279.069674 where: bonds (distance) C4'-P energy: -53.807 bonds (distance) P-C4' energy: -61.767 flat angles C4'-P-C4' energy: -58.612 flat angles P-C4'-P energy: -45.990 tors. eta vs tors. theta energy: -58.895 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: 44 Temperature: 1.150000 Total energy: -746.767179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.767179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.767179 (E_RNA) where: Base-Base interactions energy: -467.044 where: short stacking energy: -211.554 Base-Backbone interact. energy: -1.651 local terms energy: -278.071522 where: bonds (distance) C4'-P energy: -62.806 bonds (distance) P-C4' energy: -53.760 flat angles C4'-P-C4' energy: -65.851 flat angles P-C4'-P energy: -50.486 tors. eta vs tors. theta energy: -45.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -653.770871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.770871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.770871 (E_RNA) where: Base-Base interactions energy: -406.509 where: short stacking energy: -191.931 Base-Backbone interact. energy: 1.017 local terms energy: -248.279339 where: bonds (distance) C4'-P energy: -58.175 bonds (distance) P-C4' energy: -51.462 flat angles C4'-P-C4' energy: -58.269 flat angles P-C4'-P energy: -37.244 tors. eta vs tors. theta energy: -43.130 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: 10 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -505.998842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.998842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.998842 (E_RNA) where: Base-Base interactions energy: -285.636 where: short stacking energy: -152.703 Base-Backbone interact. energy: 3.694 local terms energy: -224.057233 where: bonds (distance) C4'-P energy: -52.641 bonds (distance) P-C4' energy: -53.937 flat angles C4'-P-C4' energy: -55.919 flat angles P-C4'-P energy: -42.623 tors. eta vs tors. theta energy: -18.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -404.640474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.640474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.640474 (E_RNA) where: Base-Base interactions energy: -221.479 where: short stacking energy: -132.453 Base-Backbone interact. energy: 0.570 local terms energy: -183.732317 where: bonds (distance) C4'-P energy: -51.818 bonds (distance) P-C4' energy: -54.202 flat angles C4'-P-C4' energy: -42.549 flat angles P-C4'-P energy: -20.773 tors. eta vs tors. theta energy: -14.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -277.796542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.796542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.796542 (E_RNA) where: Base-Base interactions energy: -80.911 where: short stacking energy: -76.670 Base-Backbone interact. energy: -1.305 local terms energy: -195.579810 where: bonds (distance) C4'-P energy: -61.067 bonds (distance) P-C4' energy: -60.630 flat angles C4'-P-C4' energy: -55.235 flat angles P-C4'-P energy: -28.002 tors. eta vs tors. theta energy: 9.353 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: 5 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1052.523007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.523007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.523007 (E_RNA) where: Base-Base interactions energy: -719.165 where: short stacking energy: -313.000 Base-Backbone interact. energy: -0.444 local terms energy: -332.913519 where: bonds (distance) C4'-P energy: -52.259 bonds (distance) P-C4' energy: -64.110 flat angles C4'-P-C4' energy: -80.611 flat angles P-C4'-P energy: -49.678 tors. eta vs tors. theta energy: -86.256 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: 2, replica: 3 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -978.410590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.410590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.410590 (E_RNA) where: Base-Base interactions energy: -665.452 where: short stacking energy: -304.365 Base-Backbone interact. energy: -1.201 local terms energy: -311.757488 where: bonds (distance) C4'-P energy: -53.295 bonds (distance) P-C4' energy: -61.799 flat angles C4'-P-C4' energy: -70.838 flat angles P-C4'-P energy: -45.768 tors. eta vs tors. theta energy: -80.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -931.429552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.429552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.429552 (E_RNA) where: Base-Base interactions energy: -639.900 where: short stacking energy: -285.640 Base-Backbone interact. energy: -1.311 local terms energy: -290.218809 where: bonds (distance) C4'-P energy: -59.893 bonds (distance) P-C4' energy: -60.779 flat angles C4'-P-C4' energy: -62.815 flat angles P-C4'-P energy: -40.844 tors. eta vs tors. theta energy: -65.887 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: 4, replica: 6 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -885.221787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.221787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.221787 (E_RNA) where: Base-Base interactions energy: -577.203 where: short stacking energy: -265.602 Base-Backbone interact. energy: -1.488 local terms energy: -306.530971 where: bonds (distance) C4'-P energy: -59.087 bonds (distance) P-C4' energy: -66.078 flat angles C4'-P-C4' energy: -66.836 flat angles P-C4'-P energy: -39.210 tors. eta vs tors. theta energy: -75.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -832.241806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.241806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.241806 (E_RNA) where: Base-Base interactions energy: -537.215 where: short stacking energy: -244.634 Base-Backbone interact. energy: -0.641 local terms energy: -294.385276 where: bonds (distance) C4'-P energy: -63.010 bonds (distance) P-C4' energy: -64.358 flat angles C4'-P-C4' energy: -56.335 flat angles P-C4'-P energy: -46.222 tors. eta vs tors. theta energy: -64.460 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: 6, replica: 2 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -730.235352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.235352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.235352 (E_RNA) where: Base-Base interactions energy: -472.157 where: short stacking energy: -225.769 Base-Backbone interact. energy: 4.965 local terms energy: -263.044223 where: bonds (distance) C4'-P energy: -52.681 bonds (distance) P-C4' energy: -68.333 flat angles C4'-P-C4' energy: -53.647 flat angles P-C4'-P energy: -30.962 tors. eta vs tors. theta energy: -57.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -641.901683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.901683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.901683 (E_RNA) where: Base-Base interactions energy: -407.346 where: short stacking energy: -188.481 Base-Backbone interact. energy: -1.139 local terms energy: -233.417061 where: bonds (distance) C4'-P energy: -60.980 bonds (distance) P-C4' energy: -50.827 flat angles C4'-P-C4' energy: -59.157 flat angles P-C4'-P energy: -28.215 tors. eta vs tors. theta energy: -34.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -480.761855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.761855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.761855 (E_RNA) where: Base-Base interactions energy: -264.679 where: short stacking energy: -133.445 Base-Backbone interact. energy: -1.280 local terms energy: -214.803281 where: bonds (distance) C4'-P energy: -51.918 bonds (distance) P-C4' energy: -60.179 flat angles C4'-P-C4' energy: -51.204 flat angles P-C4'-P energy: -36.626 tors. eta vs tors. theta energy: -14.876 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: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -374.116474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.116474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.116474 (E_RNA) where: Base-Base interactions energy: -192.100 where: short stacking energy: -124.635 Base-Backbone interact. energy: -0.511 local terms energy: -181.505693 where: bonds (distance) C4'-P energy: -50.582 bonds (distance) P-C4' energy: -55.751 flat angles C4'-P-C4' energy: -44.906 flat angles P-C4'-P energy: -25.347 tors. eta vs tors. theta energy: -4.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -278.986469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.986469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.986469 (E_RNA) where: Base-Base interactions energy: -86.551 where: short stacking energy: -73.273 Base-Backbone interact. energy: -2.114 local terms energy: -190.321095 where: bonds (distance) C4'-P energy: -57.364 bonds (distance) P-C4' energy: -60.759 flat angles C4'-P-C4' energy: -54.757 flat angles P-C4'-P energy: -27.728 tors. eta vs tors. theta energy: 10.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1061.275884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.275884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.275884 (E_RNA) where: Base-Base interactions energy: -717.782 where: short stacking energy: -330.944 Base-Backbone interact. energy: -0.446 local terms energy: -343.047448 where: bonds (distance) C4'-P energy: -60.742 bonds (distance) P-C4' energy: -58.061 flat angles C4'-P-C4' energy: -76.111 flat angles P-C4'-P energy: -52.411 tors. eta vs tors. theta energy: -95.723 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: 2, replica: 3 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -989.382998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.382998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.382998 (E_RNA) where: Base-Base interactions energy: -656.507 where: short stacking energy: -314.285 Base-Backbone interact. energy: -1.083 local terms energy: -331.792702 where: bonds (distance) C4'-P energy: -54.845 bonds (distance) P-C4' energy: -73.984 flat angles C4'-P-C4' energy: -68.657 flat angles P-C4'-P energy: -47.105 tors. eta vs tors. theta energy: -87.202 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: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -946.674501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.674501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.674501 (E_RNA) where: Base-Base interactions energy: -651.698 where: short stacking energy: -283.705 Base-Backbone interact. energy: 2.891 local terms energy: -297.867386 where: bonds (distance) C4'-P energy: -57.058 bonds (distance) P-C4' energy: -64.270 flat angles C4'-P-C4' energy: -65.056 flat angles P-C4'-P energy: -41.135 tors. eta vs tors. theta energy: -70.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -926.103448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.103448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.103448 (E_RNA) where: Base-Base interactions energy: -618.206 where: short stacking energy: -280.321 Base-Backbone interact. energy: 0.995 local terms energy: -308.892432 where: bonds (distance) C4'-P energy: -56.374 bonds (distance) P-C4' energy: -54.548 flat angles C4'-P-C4' energy: -59.670 flat angles P-C4'-P energy: -56.169 tors. eta vs tors. theta energy: -82.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -847.084334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.084334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.084334 (E_RNA) where: Base-Base interactions energy: -555.057 where: short stacking energy: -251.487 Base-Backbone interact. energy: -2.203 local terms energy: -289.824975 where: bonds (distance) C4'-P energy: -58.990 bonds (distance) P-C4' energy: -58.497 flat angles C4'-P-C4' energy: -64.840 flat angles P-C4'-P energy: -32.297 tors. eta vs tors. theta energy: -75.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -715.946162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.946162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.946162 (E_RNA) where: Base-Base interactions energy: -451.322 where: short stacking energy: -205.701 Base-Backbone interact. energy: 3.816 local terms energy: -268.440481 where: bonds (distance) C4'-P energy: -56.783 bonds (distance) P-C4' energy: -63.714 flat angles C4'-P-C4' energy: -61.837 flat angles P-C4'-P energy: -44.039 tors. eta vs tors. theta energy: -42.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -620.653798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.653798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.653798 (E_RNA) where: Base-Base interactions energy: -381.656 where: short stacking energy: -185.778 Base-Backbone interact. energy: -0.237 local terms energy: -238.760750 where: bonds (distance) C4'-P energy: -45.109 bonds (distance) P-C4' energy: -59.216 flat angles C4'-P-C4' energy: -56.339 flat angles P-C4'-P energy: -32.762 tors. eta vs tors. theta energy: -45.334 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: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -498.186394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.186394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.186394 (E_RNA) where: Base-Base interactions energy: -273.364 where: short stacking energy: -141.714 Base-Backbone interact. energy: 0.520 local terms energy: -225.341796 where: bonds (distance) C4'-P energy: -62.359 bonds (distance) P-C4' energy: -51.343 flat angles C4'-P-C4' energy: -61.096 flat angles P-C4'-P energy: -32.318 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: 9, replica: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -489.080657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.080657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.080657 (E_RNA) where: Base-Base interactions energy: -289.484 where: short stacking energy: -149.102 Base-Backbone interact. energy: -1.037 local terms energy: -198.560055 where: bonds (distance) C4'-P energy: -52.099 bonds (distance) P-C4' energy: -62.125 flat angles C4'-P-C4' energy: -53.285 flat angles P-C4'-P energy: -22.122 tors. eta vs tors. theta energy: -8.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -272.077477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.077477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.077477 (E_RNA) where: Base-Base interactions energy: -101.746 where: short stacking energy: -94.657 Base-Backbone interact. energy: -2.163 local terms energy: -168.168693 where: bonds (distance) C4'-P energy: -50.857 bonds (distance) P-C4' energy: -43.107 flat angles C4'-P-C4' energy: -51.790 flat angles P-C4'-P energy: -33.554 tors. eta vs tors. theta energy: 11.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1063.379867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.379867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.379867 (E_RNA) where: Base-Base interactions energy: -725.063 where: short stacking energy: -312.431 Base-Backbone interact. energy: -0.835 local terms energy: -337.481578 where: bonds (distance) C4'-P energy: -61.568 bonds (distance) P-C4' energy: -65.721 flat angles C4'-P-C4' energy: -75.794 flat angles P-C4'-P energy: -49.568 tors. eta vs tors. theta energy: -84.830 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: 1 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -995.700492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.700492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.700492 (E_RNA) where: Base-Base interactions energy: -665.325 where: short stacking energy: -297.483 Base-Backbone interact. energy: -1.713 local terms energy: -328.662908 where: bonds (distance) C4'-P energy: -61.858 bonds (distance) P-C4' energy: -67.929 flat angles C4'-P-C4' energy: -67.374 flat angles P-C4'-P energy: -50.305 tors. eta vs tors. theta energy: -81.197 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: 3 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -940.284588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.284588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.284588 (E_RNA) where: Base-Base interactions energy: -646.355 where: short stacking energy: -305.885 Base-Backbone interact. energy: 0.515 local terms energy: -294.444187 where: bonds (distance) C4'-P energy: -54.686 bonds (distance) P-C4' energy: -50.665 flat angles C4'-P-C4' energy: -71.327 flat angles P-C4'-P energy: -42.282 tors. eta vs tors. theta energy: -75.484 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: 6 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -913.802676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.802676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.802676 (E_RNA) where: Base-Base interactions energy: -620.602 where: short stacking energy: -289.816 Base-Backbone interact. energy: -0.787 local terms energy: -292.413835 where: bonds (distance) C4'-P energy: -59.567 bonds (distance) P-C4' energy: -57.621 flat angles C4'-P-C4' energy: -64.779 flat angles P-C4'-P energy: -43.523 tors. eta vs tors. theta energy: -66.925 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: 9 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -864.232646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.232646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.232646 (E_RNA) where: Base-Base interactions energy: -583.253 where: short stacking energy: -252.936 Base-Backbone interact. energy: -2.456 local terms energy: -278.524032 where: bonds (distance) C4'-P energy: -57.994 bonds (distance) P-C4' energy: -55.436 flat angles C4'-P-C4' energy: -46.059 flat angles P-C4'-P energy: -50.669 tors. eta vs tors. theta energy: -68.366 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: 2 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -718.101451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.101451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.101451 (E_RNA) where: Base-Base interactions energy: -464.868 where: short stacking energy: -218.570 Base-Backbone interact. energy: -0.361 local terms energy: -252.871940 where: bonds (distance) C4'-P energy: -55.181 bonds (distance) P-C4' energy: -54.894 flat angles C4'-P-C4' energy: -60.774 flat angles P-C4'-P energy: -35.952 tors. eta vs tors. theta energy: -46.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -619.241739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.241739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.241739 (E_RNA) where: Base-Base interactions energy: -366.847 where: short stacking energy: -168.077 Base-Backbone interact. energy: -1.747 local terms energy: -250.648054 where: bonds (distance) C4'-P energy: -67.555 bonds (distance) P-C4' energy: -55.371 flat angles C4'-P-C4' energy: -66.555 flat angles P-C4'-P energy: -33.839 tors. eta vs tors. theta energy: -27.327 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: 10 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -603.088528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.088528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.088528 (E_RNA) where: Base-Base interactions energy: -378.616 where: short stacking energy: -173.096 Base-Backbone interact. energy: -1.950 local terms energy: -222.522674 where: bonds (distance) C4'-P energy: -53.041 bonds (distance) P-C4' energy: -53.206 flat angles C4'-P-C4' energy: -57.039 flat angles P-C4'-P energy: -31.885 tors. eta vs tors. theta energy: -27.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -452.340892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.340892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.340892 (E_RNA) where: Base-Base interactions energy: -257.351 where: short stacking energy: -142.997 Base-Backbone interact. energy: 0.923 local terms energy: -195.913412 where: bonds (distance) C4'-P energy: -56.458 bonds (distance) P-C4' energy: -45.579 flat angles C4'-P-C4' energy: -58.676 flat angles P-C4'-P energy: -23.442 tors. eta vs tors. theta energy: -11.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -271.970084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.970084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.970084 (E_RNA) where: Base-Base interactions energy: -123.970 where: short stacking energy: -102.915 Base-Backbone interact. energy: -0.653 local terms energy: -147.347961 where: bonds (distance) C4'-P energy: -37.937 bonds (distance) P-C4' energy: -47.315 flat angles C4'-P-C4' energy: -57.614 flat angles P-C4'-P energy: -9.133 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: 1 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1016.214994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.214994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.214994 (E_RNA) where: Base-Base interactions energy: -688.178 where: short stacking energy: -300.366 Base-Backbone interact. energy: -1.364 local terms energy: -326.672141 where: bonds (distance) C4'-P energy: -56.897 bonds (distance) P-C4' energy: -66.816 flat angles C4'-P-C4' energy: -64.141 flat angles P-C4'-P energy: -48.117 tors. eta vs tors. theta energy: -90.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1028.510768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.510768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.510768 (E_RNA) where: Base-Base interactions energy: -694.289 where: short stacking energy: -310.455 Base-Backbone interact. energy: -1.322 local terms energy: -332.900174 where: bonds (distance) C4'-P energy: -52.008 bonds (distance) P-C4' energy: -75.910 flat angles C4'-P-C4' energy: -74.880 flat angles P-C4'-P energy: -39.656 tors. eta vs tors. theta energy: -90.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -970.351143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.351143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.351143 (E_RNA) where: Base-Base interactions energy: -664.658 where: short stacking energy: -317.686 Base-Backbone interact. energy: -0.143 local terms energy: -305.550112 where: bonds (distance) C4'-P energy: -62.052 bonds (distance) P-C4' energy: -56.076 flat angles C4'-P-C4' energy: -69.198 flat angles P-C4'-P energy: -38.271 tors. eta vs tors. theta energy: -79.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -915.706939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.706939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.706939 (E_RNA) where: Base-Base interactions energy: -603.427 where: short stacking energy: -269.435 Base-Backbone interact. energy: 0.414 local terms energy: -312.694338 where: bonds (distance) C4'-P energy: -64.444 bonds (distance) P-C4' energy: -62.686 flat angles C4'-P-C4' energy: -65.905 flat angles P-C4'-P energy: -40.171 tors. eta vs tors. theta energy: -79.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -884.833229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.833229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.833229 (E_RNA) where: Base-Base interactions energy: -587.362 where: short stacking energy: -262.852 Base-Backbone interact. energy: -1.643 local terms energy: -295.828265 where: bonds (distance) C4'-P energy: -63.982 bonds (distance) P-C4' energy: -57.282 flat angles C4'-P-C4' energy: -60.968 flat angles P-C4'-P energy: -39.389 tors. eta vs tors. theta energy: -74.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -757.223531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.223531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.223531 (E_RNA) where: Base-Base interactions energy: -471.075 where: short stacking energy: -219.976 Base-Backbone interact. energy: -2.019 local terms energy: -284.129395 where: bonds (distance) C4'-P energy: -60.914 bonds (distance) P-C4' energy: -68.930 flat angles C4'-P-C4' energy: -64.052 flat angles P-C4'-P energy: -40.801 tors. eta vs tors. theta energy: -49.433 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: 48 Temperature: 1.200000 Total energy: -582.054001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.054001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.054001 (E_RNA) where: Base-Base interactions energy: -338.649 where: short stacking energy: -177.528 Base-Backbone interact. energy: -0.523 local terms energy: -242.882271 where: bonds (distance) C4'-P energy: -52.444 bonds (distance) P-C4' energy: -61.894 flat angles C4'-P-C4' energy: -52.311 flat angles P-C4'-P energy: -37.516 tors. eta vs tors. theta energy: -38.717 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: 10 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -632.573352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.573352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.573352 (E_RNA) where: Base-Base interactions energy: -393.259 where: short stacking energy: -184.248 Base-Backbone interact. energy: 2.968 local terms energy: -242.281789 where: bonds (distance) C4'-P energy: -57.432 bonds (distance) P-C4' energy: -59.181 flat angles C4'-P-C4' energy: -62.812 flat angles P-C4'-P energy: -32.734 tors. eta vs tors. theta energy: -30.124 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: 9, replica: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -479.995540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.995540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.995540 (E_RNA) where: Base-Base interactions energy: -258.870 where: short stacking energy: -126.796 Base-Backbone interact. energy: -1.756 local terms energy: -219.369091 where: bonds (distance) C4'-P energy: -60.933 bonds (distance) P-C4' energy: -61.918 flat angles C4'-P-C4' energy: -56.543 flat angles P-C4'-P energy: -27.750 tors. eta vs tors. theta energy: -12.225 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: 48 Temperature: 1.350000 Total energy: -269.566713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.566713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.566713 (E_RNA) where: Base-Base interactions energy: -83.991 where: short stacking energy: -69.284 Base-Backbone interact. energy: -0.205 local terms energy: -185.370974 where: bonds (distance) C4'-P energy: -59.716 bonds (distance) P-C4' energy: -56.342 flat angles C4'-P-C4' energy: -40.534 flat angles P-C4'-P energy: -41.074 tors. eta vs tors. theta energy: 12.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1013.823576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.823576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.823576 (E_RNA) where: Base-Base interactions energy: -702.248 where: short stacking energy: -307.723 Base-Backbone interact. energy: -2.384 local terms energy: -309.190728 where: bonds (distance) C4'-P energy: -63.165 bonds (distance) P-C4' energy: -54.264 flat angles C4'-P-C4' energy: -64.399 flat angles P-C4'-P energy: -41.288 tors. eta vs tors. theta energy: -86.075 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: 2, replica: 5 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1025.004500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.004500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.004500 (E_RNA) where: Base-Base interactions energy: -675.455 where: short stacking energy: -309.319 Base-Backbone interact. energy: -1.008 local terms energy: -348.541851 where: bonds (distance) C4'-P energy: -57.054 bonds (distance) P-C4' energy: -69.513 flat angles C4'-P-C4' energy: -81.108 flat angles P-C4'-P energy: -51.855 tors. eta vs tors. theta energy: -89.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -964.161275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.161275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.161275 (E_RNA) where: Base-Base interactions energy: -648.047 where: short stacking energy: -289.939 Base-Backbone interact. energy: 3.654 local terms energy: -319.767510 where: bonds (distance) C4'-P energy: -66.624 bonds (distance) P-C4' energy: -62.951 flat angles C4'-P-C4' energy: -56.228 flat angles P-C4'-P energy: -48.439 tors. eta vs tors. theta energy: -85.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -949.561739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.561739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.561739 (E_RNA) where: Base-Base interactions energy: -614.500 where: short stacking energy: -292.199 Base-Backbone interact. energy: -1.233 local terms energy: -333.828335 where: bonds (distance) C4'-P energy: -68.755 bonds (distance) P-C4' energy: -65.256 flat angles C4'-P-C4' energy: -64.969 flat angles P-C4'-P energy: -47.796 tors. eta vs tors. theta energy: -87.053 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: 9 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -867.395511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.395511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.395511 (E_RNA) where: Base-Base interactions energy: -576.549 where: short stacking energy: -270.004 Base-Backbone interact. energy: -2.100 local terms energy: -288.746729 where: bonds (distance) C4'-P energy: -57.103 bonds (distance) P-C4' energy: -53.703 flat angles C4'-P-C4' energy: -72.419 flat angles P-C4'-P energy: -38.962 tors. eta vs tors. theta energy: -66.559 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: 2 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -779.320348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.320348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.320348 (E_RNA) where: Base-Base interactions energy: -503.893 where: short stacking energy: -240.239 Base-Backbone interact. energy: -1.494 local terms energy: -273.932707 where: bonds (distance) C4'-P energy: -60.810 bonds (distance) P-C4' energy: -58.211 flat angles C4'-P-C4' energy: -59.929 flat angles P-C4'-P energy: -37.017 tors. eta vs tors. theta energy: -57.966 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: 7 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -629.082195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.082195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.082195 (E_RNA) where: Base-Base interactions energy: -367.681 where: short stacking energy: -173.418 Base-Backbone interact. energy: 1.904 local terms energy: -263.304842 where: bonds (distance) C4'-P energy: -54.118 bonds (distance) P-C4' energy: -68.612 flat angles C4'-P-C4' energy: -61.538 flat angles P-C4'-P energy: -42.245 tors. eta vs tors. theta energy: -36.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -642.834277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.834277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.834277 (E_RNA) where: Base-Base interactions energy: -403.321 where: short stacking energy: -180.244 Base-Backbone interact. energy: 0.250 local terms energy: -239.763341 where: bonds (distance) C4'-P energy: -39.340 bonds (distance) P-C4' energy: -60.389 flat angles C4'-P-C4' energy: -57.006 flat angles P-C4'-P energy: -43.012 tors. eta vs tors. theta energy: -40.017 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: 8 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -463.760502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.760502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.760502 (E_RNA) where: Base-Base interactions energy: -280.218 where: short stacking energy: -142.111 Base-Backbone interact. energy: 0.622 local terms energy: -184.164490 where: bonds (distance) C4'-P energy: -50.689 bonds (distance) P-C4' energy: -49.338 flat angles C4'-P-C4' energy: -47.313 flat angles P-C4'-P energy: -20.044 tors. eta vs tors. theta energy: -16.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -291.469691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.469691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.469691 (E_RNA) where: Base-Base interactions energy: -122.428 where: short stacking energy: -93.194 Base-Backbone interact. energy: -1.073 local terms energy: -167.968542 where: bonds (distance) C4'-P energy: -49.297 bonds (distance) P-C4' energy: -58.393 flat angles C4'-P-C4' energy: -38.196 flat angles P-C4'-P energy: -20.919 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: 1, replica: 1 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1028.295487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.295487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.295487 (E_RNA) where: Base-Base interactions energy: -700.635 where: short stacking energy: -301.913 Base-Backbone interact. energy: -1.205 local terms energy: -326.455030 where: bonds (distance) C4'-P energy: -65.097 bonds (distance) P-C4' energy: -57.746 flat angles C4'-P-C4' energy: -74.705 flat angles P-C4'-P energy: -42.875 tors. eta vs tors. theta energy: -86.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1043.607642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.607642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.607642 (E_RNA) where: Base-Base interactions energy: -708.523 where: short stacking energy: -318.938 Base-Backbone interact. energy: 2.618 local terms energy: -337.702548 where: bonds (distance) C4'-P energy: -59.510 bonds (distance) P-C4' energy: -68.473 flat angles C4'-P-C4' energy: -74.137 flat angles P-C4'-P energy: -45.911 tors. eta vs tors. theta energy: -89.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -978.442503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.442503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.442503 (E_RNA) where: Base-Base interactions energy: -651.768 where: short stacking energy: -299.849 Base-Backbone interact. energy: 1.861 local terms energy: -328.535521 where: bonds (distance) C4'-P energy: -61.979 bonds (distance) P-C4' energy: -64.415 flat angles C4'-P-C4' energy: -65.289 flat angles P-C4'-P energy: -46.218 tors. eta vs tors. theta energy: -90.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -944.036865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.036865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.036865 (E_RNA) where: Base-Base interactions energy: -625.211 where: short stacking energy: -304.396 Base-Backbone interact. energy: 0.524 local terms energy: -319.349894 where: bonds (distance) C4'-P energy: -58.714 bonds (distance) P-C4' energy: -53.572 flat angles C4'-P-C4' energy: -69.711 flat angles P-C4'-P energy: -50.699 tors. eta vs tors. theta energy: -86.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -865.936305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.936305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.936305 (E_RNA) where: Base-Base interactions energy: -566.971 where: short stacking energy: -261.190 Base-Backbone interact. energy: -2.423 local terms energy: -296.541942 where: bonds (distance) C4'-P energy: -58.454 bonds (distance) P-C4' energy: -66.775 flat angles C4'-P-C4' energy: -63.076 flat angles P-C4'-P energy: -32.681 tors. eta vs tors. theta energy: -75.556 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: 2 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -730.421244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.421244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.421244 (E_RNA) where: Base-Base interactions energy: -458.219 where: short stacking energy: -219.113 Base-Backbone interact. energy: -0.570 local terms energy: -271.631865 where: bonds (distance) C4'-P energy: -60.733 bonds (distance) P-C4' energy: -62.294 flat angles C4'-P-C4' energy: -60.464 flat angles P-C4'-P energy: -34.476 tors. eta vs tors. theta energy: -53.664 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: 10 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -674.317075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.317075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.317075 (E_RNA) where: Base-Base interactions energy: -452.234 where: short stacking energy: -188.728 Base-Backbone interact. energy: -3.404 local terms energy: -218.679434 where: bonds (distance) C4'-P energy: -54.161 bonds (distance) P-C4' energy: -46.088 flat angles C4'-P-C4' energy: -50.719 flat angles P-C4'-P energy: -33.998 tors. eta vs tors. theta energy: -33.714 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: 8, replica: 7 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -578.593056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.593056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.593056 (E_RNA) where: Base-Base interactions energy: -333.452 where: short stacking energy: -165.298 Base-Backbone interact. energy: -0.456 local terms energy: -244.685108 where: bonds (distance) C4'-P energy: -51.456 bonds (distance) P-C4' energy: -63.790 flat angles C4'-P-C4' energy: -57.986 flat angles P-C4'-P energy: -31.006 tors. eta vs tors. theta energy: -40.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -472.397809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.397809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.397809 (E_RNA) where: Base-Base interactions energy: -291.269 where: short stacking energy: -151.433 Base-Backbone interact. energy: -0.065 local terms energy: -181.063498 where: bonds (distance) C4'-P energy: -42.199 bonds (distance) P-C4' energy: -45.376 flat angles C4'-P-C4' energy: -51.424 flat angles P-C4'-P energy: -41.130 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: 4 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -288.428395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.428395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.428395 (E_RNA) where: Base-Base interactions energy: -112.241 where: short stacking energy: -81.377 Base-Backbone interact. energy: -1.500 local terms energy: -174.686737 where: bonds (distance) C4'-P energy: -51.063 bonds (distance) P-C4' energy: -53.388 flat angles C4'-P-C4' energy: -47.246 flat angles P-C4'-P energy: -31.498 tors. eta vs tors. theta energy: 8.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1012.554163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.554163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.554163 (E_RNA) where: Base-Base interactions energy: -680.826 where: short stacking energy: -292.794 Base-Backbone interact. energy: -0.914 local terms energy: -330.814773 where: bonds (distance) C4'-P energy: -65.503 bonds (distance) P-C4' energy: -62.835 flat angles C4'-P-C4' energy: -76.471 flat angles P-C4'-P energy: -48.196 tors. eta vs tors. theta energy: -77.810 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: 5 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1023.834044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.834044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.834044 (E_RNA) where: Base-Base interactions energy: -705.960 where: short stacking energy: -314.461 Base-Backbone interact. energy: -0.780 local terms energy: -317.093849 where: bonds (distance) C4'-P energy: -63.979 bonds (distance) P-C4' energy: -58.560 flat angles C4'-P-C4' energy: -61.339 flat angles P-C4'-P energy: -48.815 tors. eta vs tors. theta energy: -84.400 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: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1001.554759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.554759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.554759 (E_RNA) where: Base-Base interactions energy: -679.490 where: short stacking energy: -303.711 Base-Backbone interact. energy: -2.295 local terms energy: -319.769729 where: bonds (distance) C4'-P energy: -57.796 bonds (distance) P-C4' energy: -69.904 flat angles C4'-P-C4' energy: -63.856 flat angles P-C4'-P energy: -44.672 tors. eta vs tors. theta energy: -83.541 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: 6 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -952.201464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.201464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.201464 (E_RNA) where: Base-Base interactions energy: -623.174 where: short stacking energy: -301.248 Base-Backbone interact. energy: -1.121 local terms energy: -327.906611 where: bonds (distance) C4'-P energy: -66.484 bonds (distance) P-C4' energy: -62.792 flat angles C4'-P-C4' energy: -61.088 flat angles P-C4'-P energy: -46.491 tors. eta vs tors. theta energy: -91.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -872.094024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.094024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.094024 (E_RNA) where: Base-Base interactions energy: -579.335 where: short stacking energy: -278.331 Base-Backbone interact. energy: -0.943 local terms energy: -291.816256 where: bonds (distance) C4'-P energy: -50.544 bonds (distance) P-C4' energy: -58.579 flat angles C4'-P-C4' energy: -65.836 flat angles P-C4'-P energy: -44.451 tors. eta vs tors. theta energy: -72.405 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: 2 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -706.108852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.108852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.108852 (E_RNA) where: Base-Base interactions energy: -421.419 where: short stacking energy: -200.007 Base-Backbone interact. energy: -0.302 local terms energy: -284.387123 where: bonds (distance) C4'-P energy: -62.571 bonds (distance) P-C4' energy: -67.209 flat angles C4'-P-C4' energy: -65.878 flat angles P-C4'-P energy: -34.137 tors. eta vs tors. theta energy: -54.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -692.441932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.441932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.441932 (E_RNA) where: Base-Base interactions energy: -443.722 where: short stacking energy: -212.192 Base-Backbone interact. energy: -1.786 local terms energy: -246.934597 where: bonds (distance) C4'-P energy: -56.445 bonds (distance) P-C4' energy: -47.020 flat angles C4'-P-C4' energy: -62.109 flat angles P-C4'-P energy: -32.062 tors. eta vs tors. theta energy: -49.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -546.742356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.742356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.742356 (E_RNA) where: Base-Base interactions energy: -352.155 where: short stacking energy: -186.401 Base-Backbone interact. energy: 7.220 local terms energy: -201.806798 where: bonds (distance) C4'-P energy: -43.993 bonds (distance) P-C4' energy: -48.094 flat angles C4'-P-C4' energy: -50.703 flat angles P-C4'-P energy: -38.022 tors. eta vs tors. theta energy: -20.995 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: 51 Temperature: 1.300000 Total energy: -512.293193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.293193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.293193 (E_RNA) where: Base-Base interactions energy: -297.027 where: short stacking energy: -159.383 Base-Backbone interact. energy: -1.103 local terms energy: -214.163486 where: bonds (distance) C4'-P energy: -50.561 bonds (distance) P-C4' energy: -56.067 flat angles C4'-P-C4' energy: -58.939 flat angles P-C4'-P energy: -25.636 tors. eta vs tors. theta energy: -22.962 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: 10, replica: 4 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -337.225867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.225867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.225867 (E_RNA) where: Base-Base interactions energy: -159.454 where: short stacking energy: -97.171 Base-Backbone interact. energy: -0.670 local terms energy: -177.101789 where: bonds (distance) C4'-P energy: -51.480 bonds (distance) P-C4' energy: -54.831 flat angles C4'-P-C4' energy: -57.298 flat angles P-C4'-P energy: -8.556 tors. eta vs tors. theta energy: -4.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1013.876730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.876730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.876730 (E_RNA) where: Base-Base interactions energy: -715.293 where: short stacking energy: -330.245 Base-Backbone interact. energy: 2.307 local terms energy: -300.891130 where: bonds (distance) C4'-P energy: -48.508 bonds (distance) P-C4' energy: -57.814 flat angles C4'-P-C4' energy: -63.221 flat angles P-C4'-P energy: -44.990 tors. eta vs tors. theta energy: -86.358 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: 2, replica: 5 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1022.315529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.315529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.315529 (E_RNA) where: Base-Base interactions energy: -709.843 where: short stacking energy: -322.161 Base-Backbone interact. energy: -0.663 local terms energy: -311.809267 where: bonds (distance) C4'-P energy: -48.526 bonds (distance) P-C4' energy: -57.233 flat angles C4'-P-C4' energy: -73.049 flat angles P-C4'-P energy: -45.796 tors. eta vs tors. theta energy: -87.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -965.516240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.516240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.516240 (E_RNA) where: Base-Base interactions energy: -644.983 where: short stacking energy: -289.916 Base-Backbone interact. energy: -1.427 local terms energy: -319.105996 where: bonds (distance) C4'-P energy: -61.271 bonds (distance) P-C4' energy: -61.739 flat angles C4'-P-C4' energy: -68.343 flat angles P-C4'-P energy: -40.338 tors. eta vs tors. theta energy: -87.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -941.184561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.184561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.184561 (E_RNA) where: Base-Base interactions energy: -652.964 where: short stacking energy: -286.608 Base-Backbone interact. energy: -1.216 local terms energy: -287.004149 where: bonds (distance) C4'-P energy: -55.095 bonds (distance) P-C4' energy: -50.933 flat angles C4'-P-C4' energy: -62.630 flat angles P-C4'-P energy: -42.522 tors. eta vs tors. theta energy: -75.824 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: 52 Temperature: 1.100000 Total energy: -801.492727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.492727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.492727 (E_RNA) where: Base-Base interactions energy: -538.482 where: short stacking energy: -251.735 Base-Backbone interact. energy: 2.723 local terms energy: -265.733380 where: bonds (distance) C4'-P energy: -63.221 bonds (distance) P-C4' energy: -56.140 flat angles C4'-P-C4' energy: -52.862 flat angles P-C4'-P energy: -36.868 tors. eta vs tors. theta energy: -56.641 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: 2 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -719.542864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.542864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.542864 (E_RNA) where: Base-Base interactions energy: -445.625 where: short stacking energy: -209.462 Base-Backbone interact. energy: -2.097 local terms energy: -271.820963 where: bonds (distance) C4'-P energy: -53.757 bonds (distance) P-C4' energy: -63.684 flat angles C4'-P-C4' energy: -59.777 flat angles P-C4'-P energy: -39.868 tors. eta vs tors. theta energy: -54.735 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: 10 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -683.032937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.032937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.032937 (E_RNA) where: Base-Base interactions energy: -449.762 where: short stacking energy: -197.831 Base-Backbone interact. energy: 1.951 local terms energy: -235.221172 where: bonds (distance) C4'-P energy: -57.753 bonds (distance) P-C4' energy: -63.541 flat angles C4'-P-C4' energy: -45.143 flat angles P-C4'-P energy: -35.278 tors. eta vs tors. theta energy: -33.507 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: 52 Temperature: 1.250000 Total energy: -551.509912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.509912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.509912 (E_RNA) where: Base-Base interactions energy: -342.247 where: short stacking energy: -180.605 Base-Backbone interact. energy: -1.975 local terms energy: -207.288470 where: bonds (distance) C4'-P energy: -47.528 bonds (distance) P-C4' energy: -53.485 flat angles C4'-P-C4' energy: -45.306 flat angles P-C4'-P energy: -31.954 tors. eta vs tors. theta energy: -29.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -492.004351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.004351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.004351 (E_RNA) where: Base-Base interactions energy: -296.219 where: short stacking energy: -122.357 Base-Backbone interact. energy: 2.356 local terms energy: -198.141673 where: bonds (distance) C4'-P energy: -54.142 bonds (distance) P-C4' energy: -51.435 flat angles C4'-P-C4' energy: -51.916 flat angles P-C4'-P energy: -18.997 tors. eta vs tors. theta energy: -21.652 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: 4 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -282.404122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.404122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.404122 (E_RNA) where: Base-Base interactions energy: -101.863 where: short stacking energy: -81.848 Base-Backbone interact. energy: 2.472 local terms energy: -183.012898 where: bonds (distance) C4'-P energy: -52.178 bonds (distance) P-C4' energy: -50.413 flat angles C4'-P-C4' energy: -51.850 flat angles P-C4'-P energy: -34.062 tors. eta vs tors. theta energy: 5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1013.047547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.047547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.047547 (E_RNA) where: Base-Base interactions energy: -695.424 where: short stacking energy: -297.216 Base-Backbone interact. energy: -2.224 local terms energy: -315.399066 where: bonds (distance) C4'-P energy: -62.940 bonds (distance) P-C4' energy: -63.931 flat angles C4'-P-C4' energy: -63.194 flat angles P-C4'-P energy: -46.102 tors. eta vs tors. theta energy: -79.233 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: 5 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1067.854623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.854623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.854623 (E_RNA) where: Base-Base interactions energy: -739.135 where: short stacking energy: -333.635 Base-Backbone interact. energy: -1.008 local terms energy: -327.711919 where: bonds (distance) C4'-P energy: -57.556 bonds (distance) P-C4' energy: -56.697 flat angles C4'-P-C4' energy: -76.394 flat angles P-C4'-P energy: -42.856 tors. eta vs tors. theta energy: -94.209 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: 3, replica: 6 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1004.688008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.688008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.688008 (E_RNA) where: Base-Base interactions energy: -656.576 where: short stacking energy: -319.309 Base-Backbone interact. energy: 0.013 local terms energy: -348.125742 where: bonds (distance) C4'-P energy: -56.752 bonds (distance) P-C4' energy: -66.950 flat angles C4'-P-C4' energy: -75.686 flat angles P-C4'-P energy: -54.479 tors. eta vs tors. theta energy: -94.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -938.446236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.446236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.446236 (E_RNA) where: Base-Base interactions energy: -648.064 where: short stacking energy: -279.208 Base-Backbone interact. energy: -1.575 local terms energy: -288.806498 where: bonds (distance) C4'-P energy: -51.679 bonds (distance) P-C4' energy: -52.258 flat angles C4'-P-C4' energy: -57.754 flat angles P-C4'-P energy: -49.503 tors. eta vs tors. theta energy: -77.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -819.310613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.310613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.310613 (E_RNA) where: Base-Base interactions energy: -548.154 where: short stacking energy: -236.376 Base-Backbone interact. energy: -0.299 local terms energy: -270.858342 where: bonds (distance) C4'-P energy: -47.169 bonds (distance) P-C4' energy: -64.648 flat angles C4'-P-C4' energy: -59.138 flat angles P-C4'-P energy: -31.812 tors. eta vs tors. theta energy: -68.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -698.536434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.536434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.536434 (E_RNA) where: Base-Base interactions energy: -425.797 where: short stacking energy: -203.030 Base-Backbone interact. energy: 0.379 local terms energy: -273.118377 where: bonds (distance) C4'-P energy: -64.664 bonds (distance) P-C4' energy: -60.391 flat angles C4'-P-C4' energy: -66.287 flat angles P-C4'-P energy: -40.106 tors. eta vs tors. theta energy: -41.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -702.626757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.626757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.626757 (E_RNA) where: Base-Base interactions energy: -443.880 where: short stacking energy: -206.126 Base-Backbone interact. energy: 0.704 local terms energy: -259.450724 where: bonds (distance) C4'-P energy: -58.783 bonds (distance) P-C4' energy: -60.344 flat angles C4'-P-C4' energy: -62.685 flat angles P-C4'-P energy: -37.305 tors. eta vs tors. theta energy: -40.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -560.783854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.783854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.783854 (E_RNA) where: Base-Base interactions energy: -327.505 where: short stacking energy: -170.675 Base-Backbone interact. energy: 2.799 local terms energy: -236.078798 where: bonds (distance) C4'-P energy: -51.426 bonds (distance) P-C4' energy: -62.201 flat angles C4'-P-C4' energy: -56.913 flat angles P-C4'-P energy: -32.254 tors. eta vs tors. theta energy: -33.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -484.809593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.809593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.809593 (E_RNA) where: Base-Base interactions energy: -271.781 where: short stacking energy: -130.721 Base-Backbone interact. energy: -3.013 local terms energy: -210.015229 where: bonds (distance) C4'-P energy: -52.457 bonds (distance) P-C4' energy: -53.324 flat angles C4'-P-C4' energy: -48.086 flat angles P-C4'-P energy: -35.775 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: 10, replica: 4 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -279.019334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.019334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.019334 (E_RNA) where: Base-Base interactions energy: -121.213 where: short stacking energy: -91.626 Base-Backbone interact. energy: 1.745 local terms energy: -159.551592 where: bonds (distance) C4'-P energy: -39.657 bonds (distance) P-C4' energy: -52.432 flat angles C4'-P-C4' energy: -48.520 flat angles P-C4'-P energy: -26.569 tors. eta vs tors. theta energy: 7.627 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: 5 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1045.719076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.719076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.719076 (E_RNA) where: Base-Base interactions energy: -712.454 where: short stacking energy: -332.867 Base-Backbone interact. energy: 1.268 local terms energy: -334.532678 where: bonds (distance) C4'-P energy: -56.714 bonds (distance) P-C4' energy: -60.461 flat angles C4'-P-C4' energy: -73.187 flat angles P-C4'-P energy: -50.397 tors. eta vs tors. theta energy: -93.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1009.811486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.811486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.811486 (E_RNA) where: Base-Base interactions energy: -687.198 where: short stacking energy: -289.233 Base-Backbone interact. energy: -1.193 local terms energy: -321.420230 where: bonds (distance) C4'-P energy: -70.463 bonds (distance) P-C4' energy: -63.993 flat angles C4'-P-C4' energy: -70.420 flat angles P-C4'-P energy: -35.454 tors. eta vs tors. theta energy: -81.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -999.655450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.655450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.655450 (E_RNA) where: Base-Base interactions energy: -654.604 where: short stacking energy: -303.044 Base-Backbone interact. energy: 0.490 local terms energy: -345.540764 where: bonds (distance) C4'-P energy: -70.332 bonds (distance) P-C4' energy: -62.974 flat angles C4'-P-C4' energy: -68.281 flat angles P-C4'-P energy: -44.395 tors. eta vs tors. theta energy: -99.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -894.119937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.119937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.119937 (E_RNA) where: Base-Base interactions energy: -595.228 where: short stacking energy: -250.601 Base-Backbone interact. energy: -1.963 local terms energy: -296.929426 where: bonds (distance) C4'-P energy: -59.540 bonds (distance) P-C4' energy: -63.810 flat angles C4'-P-C4' energy: -67.512 flat angles P-C4'-P energy: -42.932 tors. eta vs tors. theta energy: -63.135 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: 9 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -828.581834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.581834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.581834 (E_RNA) where: Base-Base interactions energy: -531.576 where: short stacking energy: -246.397 Base-Backbone interact. energy: 0.569 local terms energy: -297.574200 where: bonds (distance) C4'-P energy: -65.745 bonds (distance) P-C4' energy: -70.030 flat angles C4'-P-C4' energy: -60.577 flat angles P-C4'-P energy: -33.432 tors. eta vs tors. theta energy: -67.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -690.505446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.505446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.505446 (E_RNA) where: Base-Base interactions energy: -434.496 where: short stacking energy: -215.168 Base-Backbone interact. energy: -0.910 local terms energy: -255.098890 where: bonds (distance) C4'-P energy: -49.091 bonds (distance) P-C4' energy: -59.304 flat angles C4'-P-C4' energy: -57.208 flat angles P-C4'-P energy: -40.170 tors. eta vs tors. theta energy: -49.327 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: 7, replica: 10 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -652.925459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.925459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.925459 (E_RNA) where: Base-Base interactions energy: -397.957 where: short stacking energy: -195.083 Base-Backbone interact. energy: -0.944 local terms energy: -254.024805 where: bonds (distance) C4'-P energy: -49.839 bonds (distance) P-C4' energy: -63.898 flat angles C4'-P-C4' energy: -57.559 flat angles P-C4'-P energy: -45.833 tors. eta vs tors. theta energy: -36.894 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: 8, replica: 7 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -516.594700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.594700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.594700 (E_RNA) where: Base-Base interactions energy: -309.882 where: short stacking energy: -166.571 Base-Backbone interact. energy: -2.550 local terms energy: -204.162723 where: bonds (distance) C4'-P energy: -47.870 bonds (distance) P-C4' energy: -56.156 flat angles C4'-P-C4' energy: -51.877 flat angles P-C4'-P energy: -28.588 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: 9, replica: 8 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -513.615456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.615456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.615456 (E_RNA) where: Base-Base interactions energy: -282.390 where: short stacking energy: -131.113 Base-Backbone interact. energy: -1.347 local terms energy: -229.878436 where: bonds (distance) C4'-P energy: -53.463 bonds (distance) P-C4' energy: -52.162 flat angles C4'-P-C4' energy: -65.398 flat angles P-C4'-P energy: -36.782 tors. eta vs tors. theta energy: -22.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -278.272783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.272783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.272783 (E_RNA) where: Base-Base interactions energy: -93.763 where: short stacking energy: -79.188 Base-Backbone interact. energy: -1.346 local terms energy: -183.164004 where: bonds (distance) C4'-P energy: -51.959 bonds (distance) P-C4' energy: -60.029 flat angles C4'-P-C4' energy: -52.495 flat angles P-C4'-P energy: -14.426 tors. eta vs tors. theta energy: -4.255 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: 5 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1086.168018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.168018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.168018 (E_RNA) where: Base-Base interactions energy: -730.443 where: short stacking energy: -320.760 Base-Backbone interact. energy: 1.901 local terms energy: -357.625713 where: bonds (distance) C4'-P energy: -71.656 bonds (distance) P-C4' energy: -67.326 flat angles C4'-P-C4' energy: -73.617 flat angles P-C4'-P energy: -53.871 tors. eta vs tors. theta energy: -91.155 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: 2, replica: 6 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1024.235643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.235643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.235643 (E_RNA) where: Base-Base interactions energy: -687.208 where: short stacking energy: -319.340 Base-Backbone interact. energy: -0.543 local terms energy: -336.485142 where: bonds (distance) C4'-P energy: -59.057 bonds (distance) P-C4' energy: -63.896 flat angles C4'-P-C4' energy: -70.636 flat angles P-C4'-P energy: -54.671 tors. eta vs tors. theta energy: -88.225 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: 1 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -964.534248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.534248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.534248 (E_RNA) where: Base-Base interactions energy: -655.000 where: short stacking energy: -281.681 Base-Backbone interact. energy: 1.425 local terms energy: -310.959070 where: bonds (distance) C4'-P energy: -55.034 bonds (distance) P-C4' energy: -65.311 flat angles C4'-P-C4' energy: -65.837 flat angles P-C4'-P energy: -44.162 tors. eta vs tors. theta energy: -80.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -934.269341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.269341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.269341 (E_RNA) where: Base-Base interactions energy: -634.432 where: short stacking energy: -279.644 Base-Backbone interact. energy: -2.628 local terms energy: -297.208694 where: bonds (distance) C4'-P energy: -66.208 bonds (distance) P-C4' energy: -60.065 flat angles C4'-P-C4' energy: -70.117 flat angles P-C4'-P energy: -29.760 tors. eta vs tors. theta energy: -71.059 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: 9 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -835.800117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.800117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.800117 (E_RNA) where: Base-Base interactions energy: -559.144 where: short stacking energy: -265.862 Base-Backbone interact. energy: -0.885 local terms energy: -275.771715 where: bonds (distance) C4'-P energy: -51.598 bonds (distance) P-C4' energy: -51.002 flat angles C4'-P-C4' energy: -70.251 flat angles P-C4'-P energy: -36.437 tors. eta vs tors. theta energy: -66.483 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: 6, replica: 2 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -698.959450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.959450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.959450 (E_RNA) where: Base-Base interactions energy: -451.777 where: short stacking energy: -212.206 Base-Backbone interact. energy: -0.251 local terms energy: -246.931359 where: bonds (distance) C4'-P energy: -50.548 bonds (distance) P-C4' energy: -59.460 flat angles C4'-P-C4' energy: -55.060 flat angles P-C4'-P energy: -34.184 tors. eta vs tors. theta energy: -47.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -646.248203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.248203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.248203 (E_RNA) where: Base-Base interactions energy: -412.720 where: short stacking energy: -187.397 Base-Backbone interact. energy: -0.386 local terms energy: -233.142768 where: bonds (distance) C4'-P energy: -54.296 bonds (distance) P-C4' energy: -63.945 flat angles C4'-P-C4' energy: -47.689 flat angles P-C4'-P energy: -36.529 tors. eta vs tors. theta energy: -30.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -608.763717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.763717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.763717 (E_RNA) where: Base-Base interactions energy: -379.436 where: short stacking energy: -193.356 Base-Backbone interact. energy: 0.541 local terms energy: -229.868524 where: bonds (distance) C4'-P energy: -51.242 bonds (distance) P-C4' energy: -52.212 flat angles C4'-P-C4' energy: -53.233 flat angles P-C4'-P energy: -32.345 tors. eta vs tors. theta energy: -40.836 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: 7 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -483.409649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.409649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.409649 (E_RNA) where: Base-Base interactions energy: -272.954 where: short stacking energy: -142.006 Base-Backbone interact. energy: -1.469 local terms energy: -208.986960 where: bonds (distance) C4'-P energy: -54.886 bonds (distance) P-C4' energy: -49.571 flat angles C4'-P-C4' energy: -56.736 flat angles P-C4'-P energy: -25.850 tors. eta vs tors. theta energy: -21.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -261.500243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.500243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.500243 (E_RNA) where: Base-Base interactions energy: -87.800 where: short stacking energy: -82.855 Base-Backbone interact. energy: 2.243 local terms energy: -175.942642 where: bonds (distance) C4'-P energy: -43.910 bonds (distance) P-C4' energy: -59.491 flat angles C4'-P-C4' energy: -47.883 flat angles P-C4'-P energy: -25.710 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: 5 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1087.369944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.369944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.369944 (E_RNA) where: Base-Base interactions energy: -727.319 where: short stacking energy: -343.934 Base-Backbone interact. energy: -0.401 local terms energy: -359.649936 where: bonds (distance) C4'-P energy: -68.368 bonds (distance) P-C4' energy: -67.998 flat angles C4'-P-C4' energy: -73.683 flat angles P-C4'-P energy: -50.196 tors. eta vs tors. theta energy: -99.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1030.026994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.026994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.026994 (E_RNA) where: Base-Base interactions energy: -687.649 where: short stacking energy: -306.176 Base-Backbone interact. energy: -1.911 local terms energy: -340.467432 where: bonds (distance) C4'-P energy: -62.827 bonds (distance) P-C4' energy: -63.431 flat angles C4'-P-C4' energy: -71.854 flat angles P-C4'-P energy: -48.610 tors. eta vs tors. theta energy: -93.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -991.074350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.074350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.074350 (E_RNA) where: Base-Base interactions energy: -669.379 where: short stacking energy: -313.300 Base-Backbone interact. energy: -1.235 local terms energy: -320.459805 where: bonds (distance) C4'-P energy: -65.838 bonds (distance) P-C4' energy: -60.574 flat angles C4'-P-C4' energy: -67.389 flat angles P-C4'-P energy: -44.373 tors. eta vs tors. theta energy: -82.285 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: 4, replica: 1 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -906.131053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.131053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.131053 (E_RNA) where: Base-Base interactions energy: -613.788 where: short stacking energy: -262.816 Base-Backbone interact. energy: 0.182 local terms energy: -292.525203 where: bonds (distance) C4'-P energy: -55.187 bonds (distance) P-C4' energy: -60.640 flat angles C4'-P-C4' energy: -66.411 flat angles P-C4'-P energy: -41.763 tors. eta vs tors. theta energy: -68.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -870.133149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.133149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.133149 (E_RNA) where: Base-Base interactions energy: -594.014 where: short stacking energy: -246.423 Base-Backbone interact. energy: -1.261 local terms energy: -274.858194 where: bonds (distance) C4'-P energy: -62.895 bonds (distance) P-C4' energy: -66.347 flat angles C4'-P-C4' energy: -58.230 flat angles P-C4'-P energy: -32.728 tors. eta vs tors. theta energy: -54.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -749.826085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.826085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.826085 (E_RNA) where: Base-Base interactions energy: -501.267 where: short stacking energy: -236.269 Base-Backbone interact. energy: 2.803 local terms energy: -251.361798 where: bonds (distance) C4'-P energy: -52.607 bonds (distance) P-C4' energy: -56.198 flat angles C4'-P-C4' energy: -62.648 flat angles P-C4'-P energy: -27.618 tors. eta vs tors. theta energy: -52.291 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: 7, replica: 10 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -679.292207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.292207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.292207 (E_RNA) where: Base-Base interactions energy: -416.506 where: short stacking energy: -186.411 Base-Backbone interact. energy: -1.137 local terms energy: -261.648495 where: bonds (distance) C4'-P energy: -64.223 bonds (distance) P-C4' energy: -65.945 flat angles C4'-P-C4' energy: -54.399 flat angles P-C4'-P energy: -35.851 tors. eta vs tors. theta energy: -41.231 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: 8 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -725.598079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.598079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.598079 (E_RNA) where: Base-Base interactions energy: -471.225 where: short stacking energy: -223.157 Base-Backbone interact. energy: 1.176 local terms energy: -255.549335 where: bonds (distance) C4'-P energy: -56.491 bonds (distance) P-C4' energy: -57.543 flat angles C4'-P-C4' energy: -52.266 flat angles P-C4'-P energy: -36.956 tors. eta vs tors. theta energy: -52.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -410.083406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.083406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.083406 (E_RNA) where: Base-Base interactions energy: -204.008 where: short stacking energy: -129.860 Base-Backbone interact. energy: 2.304 local terms energy: -208.379851 where: bonds (distance) C4'-P energy: -55.877 bonds (distance) P-C4' energy: -62.303 flat angles C4'-P-C4' energy: -49.398 flat angles P-C4'-P energy: -28.773 tors. eta vs tors. theta energy: -12.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -261.167239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.167239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.167239 (E_RNA) where: Base-Base interactions energy: -83.672 where: short stacking energy: -79.053 Base-Backbone interact. energy: -1.859 local terms energy: -175.636332 where: bonds (distance) C4'-P energy: -48.831 bonds (distance) P-C4' energy: -61.026 flat angles C4'-P-C4' energy: -45.641 flat angles P-C4'-P energy: -28.295 tors. eta vs tors. theta energy: 8.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1078.578717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.578717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.578717 (E_RNA) where: Base-Base interactions energy: -760.072 where: short stacking energy: -320.865 Base-Backbone interact. energy: 0.335 local terms energy: -318.841377 where: bonds (distance) C4'-P energy: -56.377 bonds (distance) P-C4' energy: -60.934 flat angles C4'-P-C4' energy: -68.198 flat angles P-C4'-P energy: -45.539 tors. eta vs tors. theta energy: -87.794 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: 6 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1057.632973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.632973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.632973 (E_RNA) where: Base-Base interactions energy: -717.588 where: short stacking energy: -328.119 Base-Backbone interact. energy: -0.085 local terms energy: -339.960184 where: bonds (distance) C4'-P energy: -62.283 bonds (distance) P-C4' energy: -59.305 flat angles C4'-P-C4' energy: -72.661 flat angles P-C4'-P energy: -45.163 tors. eta vs tors. theta energy: -100.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -993.145541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.145541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.145541 (E_RNA) where: Base-Base interactions energy: -673.978 where: short stacking energy: -284.353 Base-Backbone interact. energy: -3.015 local terms energy: -316.152377 where: bonds (distance) C4'-P energy: -52.273 bonds (distance) P-C4' energy: -65.445 flat angles C4'-P-C4' energy: -70.968 flat angles P-C4'-P energy: -49.670 tors. eta vs tors. theta energy: -77.796 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: 4, replica: 1 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -935.582319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.582319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.582319 (E_RNA) where: Base-Base interactions energy: -647.791 where: short stacking energy: -286.560 Base-Backbone interact. energy: -1.127 local terms energy: -286.664344 where: bonds (distance) C4'-P energy: -55.656 bonds (distance) P-C4' energy: -60.055 flat angles C4'-P-C4' energy: -64.131 flat angles P-C4'-P energy: -40.000 tors. eta vs tors. theta energy: -66.823 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: 57 Temperature: 1.100000 Total energy: -858.614061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.614061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.614061 (E_RNA) where: Base-Base interactions energy: -567.469 where: short stacking energy: -264.631 Base-Backbone interact. energy: -2.851 local terms energy: -288.294189 where: bonds (distance) C4'-P energy: -51.468 bonds (distance) P-C4' energy: -61.478 flat angles C4'-P-C4' energy: -67.527 flat angles P-C4'-P energy: -40.828 tors. eta vs tors. theta energy: -66.992 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: 2 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -767.034290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.034290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.034290 (E_RNA) where: Base-Base interactions energy: -487.091 where: short stacking energy: -233.374 Base-Backbone interact. energy: -0.953 local terms energy: -278.990330 where: bonds (distance) C4'-P energy: -52.494 bonds (distance) P-C4' energy: -64.581 flat angles C4'-P-C4' energy: -61.996 flat angles P-C4'-P energy: -40.443 tors. eta vs tors. theta energy: -59.477 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: 10 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -669.770589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.770589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.770589 (E_RNA) where: Base-Base interactions energy: -429.697 where: short stacking energy: -183.542 Base-Backbone interact. energy: 4.026 local terms energy: -244.100208 where: bonds (distance) C4'-P energy: -54.445 bonds (distance) P-C4' energy: -59.055 flat angles C4'-P-C4' energy: -63.156 flat angles P-C4'-P energy: -32.254 tors. eta vs tors. theta energy: -35.190 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: 8 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -731.230212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.230212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.230212 (E_RNA) where: Base-Base interactions energy: -496.627 where: short stacking energy: -214.184 Base-Backbone interact. energy: 2.190 local terms energy: -236.793054 where: bonds (distance) C4'-P energy: -49.067 bonds (distance) P-C4' energy: -50.195 flat angles C4'-P-C4' energy: -54.924 flat angles P-C4'-P energy: -33.512 tors. eta vs tors. theta energy: -49.094 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: 7 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -376.899371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.899371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.899371 (E_RNA) where: Base-Base interactions energy: -195.113 where: short stacking energy: -124.346 Base-Backbone interact. energy: 2.034 local terms energy: -183.819823 where: bonds (distance) C4'-P energy: -50.814 bonds (distance) P-C4' energy: -45.736 flat angles C4'-P-C4' energy: -55.683 flat angles P-C4'-P energy: -34.252 tors. eta vs tors. theta energy: 2.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -276.226376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.226376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.226376 (E_RNA) where: Base-Base interactions energy: -94.307 where: short stacking energy: -91.567 Base-Backbone interact. energy: 0.346 local terms energy: -182.265288 where: bonds (distance) C4'-P energy: -44.880 bonds (distance) P-C4' energy: -62.717 flat angles C4'-P-C4' energy: -46.304 flat angles P-C4'-P energy: -33.529 tors. eta vs tors. theta energy: 5.166 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: 58 Temperature: 0.900000 Total energy: -1092.580780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.580780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.580780 (E_RNA) where: Base-Base interactions energy: -749.487 where: short stacking energy: -346.939 Base-Backbone interact. energy: 1.757 local terms energy: -344.850425 where: bonds (distance) C4'-P energy: -63.693 bonds (distance) P-C4' energy: -62.220 flat angles C4'-P-C4' energy: -75.875 flat angles P-C4'-P energy: -45.000 tors. eta vs tors. theta energy: -98.063 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: 2, replica: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1038.138811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.138811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.138811 (E_RNA) where: Base-Base interactions energy: -685.676 where: short stacking energy: -313.151 Base-Backbone interact. energy: -0.675 local terms energy: -351.788287 where: bonds (distance) C4'-P energy: -64.522 bonds (distance) P-C4' energy: -65.469 flat angles C4'-P-C4' energy: -77.303 flat angles P-C4'-P energy: -49.016 tors. eta vs tors. theta energy: -95.478 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: 3, replica: 3 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -994.501863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.501863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.501863 (E_RNA) where: Base-Base interactions energy: -660.041 where: short stacking energy: -282.534 Base-Backbone interact. energy: -1.126 local terms energy: -333.334922 where: bonds (distance) C4'-P energy: -68.062 bonds (distance) P-C4' energy: -67.972 flat angles C4'-P-C4' energy: -63.242 flat angles P-C4'-P energy: -50.355 tors. eta vs tors. theta energy: -83.703 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: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -928.390638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.390638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.390638 (E_RNA) where: Base-Base interactions energy: -632.593 where: short stacking energy: -262.720 Base-Backbone interact. energy: -1.410 local terms energy: -294.388038 where: bonds (distance) C4'-P energy: -53.950 bonds (distance) P-C4' energy: -66.974 flat angles C4'-P-C4' energy: -66.192 flat angles P-C4'-P energy: -43.916 tors. eta vs tors. theta energy: -63.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -863.995598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.995598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.995598 (E_RNA) where: Base-Base interactions energy: -562.036 where: short stacking energy: -252.305 Base-Backbone interact. energy: -0.194 local terms energy: -301.766442 where: bonds (distance) C4'-P energy: -57.718 bonds (distance) P-C4' energy: -63.240 flat angles C4'-P-C4' energy: -69.748 flat angles P-C4'-P energy: -34.579 tors. eta vs tors. theta energy: -76.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -735.269950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.269950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.269950 (E_RNA) where: Base-Base interactions energy: -456.545 where: short stacking energy: -226.693 Base-Backbone interact. energy: -3.436 local terms energy: -275.288416 where: bonds (distance) C4'-P energy: -57.627 bonds (distance) P-C4' energy: -63.317 flat angles C4'-P-C4' energy: -65.206 flat angles P-C4'-P energy: -40.158 tors. eta vs tors. theta energy: -48.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -774.506085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.506085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.506085 (E_RNA) where: Base-Base interactions energy: -515.306 where: short stacking energy: -231.087 Base-Backbone interact. energy: -2.143 local terms energy: -257.056192 where: bonds (distance) C4'-P energy: -54.136 bonds (distance) P-C4' energy: -46.594 flat angles C4'-P-C4' energy: -67.719 flat angles P-C4'-P energy: -37.002 tors. eta vs tors. theta energy: -51.605 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: 10 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -637.885583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.885583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.885583 (E_RNA) where: Base-Base interactions energy: -417.372 where: short stacking energy: -191.218 Base-Backbone interact. energy: 0.089 local terms energy: -220.602570 where: bonds (distance) C4'-P energy: -44.602 bonds (distance) P-C4' energy: -48.466 flat angles C4'-P-C4' energy: -49.283 flat angles P-C4'-P energy: -39.619 tors. eta vs tors. theta energy: -38.632 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: 9, replica: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -373.375400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.375400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.375400 (E_RNA) where: Base-Base interactions energy: -189.039 where: short stacking energy: -107.516 Base-Backbone interact. energy: 2.614 local terms energy: -186.950378 where: bonds (distance) C4'-P energy: -57.715 bonds (distance) P-C4' energy: -55.665 flat angles C4'-P-C4' energy: -49.399 flat angles P-C4'-P energy: -27.885 tors. eta vs tors. theta energy: 3.713 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: 10, replica: 4 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -256.754386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.754386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.754386 (E_RNA) where: Base-Base interactions energy: -98.350 where: short stacking energy: -92.098 Base-Backbone interact. energy: 2.771 local terms energy: -161.174869 where: bonds (distance) C4'-P energy: -55.136 bonds (distance) P-C4' energy: -51.400 flat angles C4'-P-C4' energy: -50.361 flat angles P-C4'-P energy: -9.102 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: 1, replica: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1087.109351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.109351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.109351 (E_RNA) where: Base-Base interactions energy: -730.863 where: short stacking energy: -342.050 Base-Backbone interact. energy: 0.751 local terms energy: -356.997536 where: bonds (distance) C4'-P energy: -64.640 bonds (distance) P-C4' energy: -68.807 flat angles C4'-P-C4' energy: -77.797 flat angles P-C4'-P energy: -51.883 tors. eta vs tors. theta energy: -93.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1042.097982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.097982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.097982 (E_RNA) where: Base-Base interactions energy: -698.018 where: short stacking energy: -312.148 Base-Backbone interact. energy: -3.254 local terms energy: -340.825211 where: bonds (distance) C4'-P energy: -58.381 bonds (distance) P-C4' energy: -71.355 flat angles C4'-P-C4' energy: -72.881 flat angles P-C4'-P energy: -42.100 tors. eta vs tors. theta energy: -96.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -994.499718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.499718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.499718 (E_RNA) where: Base-Base interactions energy: -668.861 where: short stacking energy: -291.116 Base-Backbone interact. energy: -2.181 local terms energy: -323.456973 where: bonds (distance) C4'-P energy: -57.672 bonds (distance) P-C4' energy: -62.380 flat angles C4'-P-C4' energy: -72.234 flat angles P-C4'-P energy: -48.333 tors. eta vs tors. theta energy: -82.837 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: 4, replica: 1 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -928.101543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.101543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.101543 (E_RNA) where: Base-Base interactions energy: -630.899 where: short stacking energy: -248.148 Base-Backbone interact. energy: -1.001 local terms energy: -296.201585 where: bonds (distance) C4'-P energy: -59.739 bonds (distance) P-C4' energy: -61.497 flat angles C4'-P-C4' energy: -63.079 flat angles P-C4'-P energy: -42.197 tors. eta vs tors. theta energy: -69.690 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: 9 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -899.124195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.124195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.124195 (E_RNA) where: Base-Base interactions energy: -611.168 where: short stacking energy: -269.010 Base-Backbone interact. energy: -1.677 local terms energy: -286.279188 where: bonds (distance) C4'-P energy: -45.706 bonds (distance) P-C4' energy: -62.799 flat angles C4'-P-C4' energy: -57.086 flat angles P-C4'-P energy: -45.913 tors. eta vs tors. theta energy: -74.775 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: 8 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -783.910985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.910985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.910985 (E_RNA) where: Base-Base interactions energy: -520.438 where: short stacking energy: -240.830 Base-Backbone interact. energy: -2.141 local terms energy: -261.331341 where: bonds (distance) C4'-P energy: -44.847 bonds (distance) P-C4' energy: -62.247 flat angles C4'-P-C4' energy: -50.827 flat angles P-C4'-P energy: -50.876 tors. eta vs tors. theta energy: -52.535 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: 2 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -706.798407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.798407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.798407 (E_RNA) where: Base-Base interactions energy: -463.411 where: short stacking energy: -224.588 Base-Backbone interact. energy: 3.144 local terms energy: -246.531928 where: bonds (distance) C4'-P energy: -52.561 bonds (distance) P-C4' energy: -43.362 flat angles C4'-P-C4' energy: -57.360 flat angles P-C4'-P energy: -44.363 tors. eta vs tors. theta energy: -48.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -632.731280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.731280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.731280 (E_RNA) where: Base-Base interactions energy: -375.963 where: short stacking energy: -173.300 Base-Backbone interact. energy: -0.575 local terms energy: -256.192679 where: bonds (distance) C4'-P energy: -60.546 bonds (distance) P-C4' energy: -55.966 flat angles C4'-P-C4' energy: -67.878 flat angles P-C4'-P energy: -36.871 tors. eta vs tors. theta energy: -34.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -401.328631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.328631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.328631 (E_RNA) where: Base-Base interactions energy: -171.223 where: short stacking energy: -101.949 Base-Backbone interact. energy: 4.546 local terms energy: -234.652238 where: bonds (distance) C4'-P energy: -60.653 bonds (distance) P-C4' energy: -65.824 flat angles C4'-P-C4' energy: -52.423 flat angles P-C4'-P energy: -41.642 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: 10, replica: 4 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -317.713100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.713100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.713100 (E_RNA) where: Base-Base interactions energy: -138.814 where: short stacking energy: -81.653 Base-Backbone interact. energy: 0.039 local terms energy: -178.938646 where: bonds (distance) C4'-P energy: -64.989 bonds (distance) P-C4' energy: -57.045 flat angles C4'-P-C4' energy: -45.360 flat angles P-C4'-P energy: -24.069 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: 1, replica: 5 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1078.487174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.487174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.487174 (E_RNA) where: Base-Base interactions energy: -726.265 where: short stacking energy: -340.845 Base-Backbone interact. energy: -0.111 local terms energy: -352.110891 where: bonds (distance) C4'-P energy: -59.811 bonds (distance) P-C4' energy: -70.815 flat angles C4'-P-C4' energy: -70.869 flat angles P-C4'-P energy: -51.273 tors. eta vs tors. theta energy: -99.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1016.932271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.932271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.932271 (E_RNA) where: Base-Base interactions energy: -685.718 where: short stacking energy: -307.118 Base-Backbone interact. energy: -1.268 local terms energy: -329.945984 where: bonds (distance) C4'-P energy: -55.746 bonds (distance) P-C4' energy: -67.903 flat angles C4'-P-C4' energy: -63.597 flat angles P-C4'-P energy: -44.888 tors. eta vs tors. theta energy: -97.813 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: 60 Temperature: 1.000000 Total energy: -979.919198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.919198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.919198 (E_RNA) where: Base-Base interactions energy: -645.425 where: short stacking energy: -298.348 Base-Backbone interact. energy: -2.970 local terms energy: -331.523944 where: bonds (distance) C4'-P energy: -49.882 bonds (distance) P-C4' energy: -69.759 flat angles C4'-P-C4' energy: -75.584 flat angles P-C4'-P energy: -47.440 tors. eta vs tors. theta energy: -88.859 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: 1 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -923.820718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.820718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.820718 (E_RNA) where: Base-Base interactions energy: -618.932 where: short stacking energy: -253.859 Base-Backbone interact. energy: -0.944 local terms energy: -303.944723 where: bonds (distance) C4'-P energy: -66.643 bonds (distance) P-C4' energy: -62.940 flat angles C4'-P-C4' energy: -59.511 flat angles P-C4'-P energy: -41.258 tors. eta vs tors. theta energy: -73.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -910.974339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.974339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.974339 (E_RNA) where: Base-Base interactions energy: -605.238 where: short stacking energy: -271.892 Base-Backbone interact. energy: 2.165 local terms energy: -307.900995 where: bonds (distance) C4'-P energy: -60.201 bonds (distance) P-C4' energy: -48.945 flat angles C4'-P-C4' energy: -68.277 flat angles P-C4'-P energy: -49.439 tors. eta vs tors. theta energy: -81.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -752.979838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.979838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.979838 (E_RNA) where: Base-Base interactions energy: -494.372 where: short stacking energy: -196.440 Base-Backbone interact. energy: 4.190 local terms energy: -262.798288 where: bonds (distance) C4'-P energy: -56.385 bonds (distance) P-C4' energy: -58.191 flat angles C4'-P-C4' energy: -63.662 flat angles P-C4'-P energy: -44.782 tors. eta vs tors. theta energy: -39.778 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: 10 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -663.783060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.783060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.783060 (E_RNA) where: Base-Base interactions energy: -411.870 where: short stacking energy: -190.435 Base-Backbone interact. energy: 1.529 local terms energy: -253.441944 where: bonds (distance) C4'-P energy: -57.771 bonds (distance) P-C4' energy: -54.502 flat angles C4'-P-C4' energy: -60.325 flat angles P-C4'-P energy: -40.218 tors. eta vs tors. theta energy: -40.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -734.827332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.827332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.827332 (E_RNA) where: Base-Base interactions energy: -486.106 where: short stacking energy: -212.153 Base-Backbone interact. energy: 2.331 local terms energy: -251.051958 where: bonds (distance) C4'-P energy: -59.038 bonds (distance) P-C4' energy: -58.249 flat angles C4'-P-C4' energy: -52.475 flat angles P-C4'-P energy: -35.593 tors. eta vs tors. theta energy: -45.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -452.901345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.901345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.901345 (E_RNA) where: Base-Base interactions energy: -254.664 where: short stacking energy: -118.461 Base-Backbone interact. energy: 0.931 local terms energy: -199.168294 where: bonds (distance) C4'-P energy: -51.368 bonds (distance) P-C4' energy: -63.934 flat angles C4'-P-C4' energy: -54.533 flat angles P-C4'-P energy: -28.283 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: 10, replica: 4 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -330.880404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.880404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.880404 (E_RNA) where: Base-Base interactions energy: -151.517 where: short stacking energy: -110.924 Base-Backbone interact. energy: -1.012 local terms energy: -178.350915 where: bonds (distance) C4'-P energy: -45.942 bonds (distance) P-C4' energy: -47.399 flat angles C4'-P-C4' energy: -50.828 flat angles P-C4'-P energy: -24.301 tors. eta vs tors. theta energy: -9.881 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: 5 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1060.755887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.755887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.755887 (E_RNA) where: Base-Base interactions energy: -717.494 where: short stacking energy: -335.796 Base-Backbone interact. energy: -1.035 local terms energy: -342.226693 where: bonds (distance) C4'-P energy: -55.058 bonds (distance) P-C4' energy: -69.113 flat angles C4'-P-C4' energy: -73.696 flat angles P-C4'-P energy: -51.243 tors. eta vs tors. theta energy: -93.117 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: 61 Temperature: 0.950000 Total energy: -1020.694706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.694706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.694706 (E_RNA) where: Base-Base interactions energy: -695.109 where: short stacking energy: -305.698 Base-Backbone interact. energy: -2.139 local terms energy: -323.446159 where: bonds (distance) C4'-P energy: -63.172 bonds (distance) P-C4' energy: -62.230 flat angles C4'-P-C4' energy: -63.341 flat angles P-C4'-P energy: -42.531 tors. eta vs tors. theta energy: -92.172 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: 3, replica: 6 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -989.041037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.041037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.041037 (E_RNA) where: Base-Base interactions energy: -671.382 where: short stacking energy: -302.931 Base-Backbone interact. energy: -0.107 local terms energy: -317.551123 where: bonds (distance) C4'-P energy: -56.563 bonds (distance) P-C4' energy: -64.831 flat angles C4'-P-C4' energy: -63.997 flat angles P-C4'-P energy: -45.904 tors. eta vs tors. theta energy: -86.256 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: 4, replica: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -950.847411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.847411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.847411 (E_RNA) where: Base-Base interactions energy: -645.888 where: short stacking energy: -291.135 Base-Backbone interact. energy: 0.891 local terms energy: -305.849903 where: bonds (distance) C4'-P energy: -63.748 bonds (distance) P-C4' energy: -58.290 flat angles C4'-P-C4' energy: -68.492 flat angles P-C4'-P energy: -38.356 tors. eta vs tors. theta energy: -76.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -878.191442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.191442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.191442 (E_RNA) where: Base-Base interactions energy: -584.642 where: short stacking energy: -244.428 Base-Backbone interact. energy: 0.742 local terms energy: -294.291492 where: bonds (distance) C4'-P energy: -46.930 bonds (distance) P-C4' energy: -60.221 flat angles C4'-P-C4' energy: -66.289 flat angles P-C4'-P energy: -53.103 tors. eta vs tors. theta energy: -67.749 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: 8 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -724.770422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.770422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.770422 (E_RNA) where: Base-Base interactions energy: -480.721 where: short stacking energy: -195.329 Base-Backbone interact. energy: -0.526 local terms energy: -243.523504 where: bonds (distance) C4'-P energy: -55.039 bonds (distance) P-C4' energy: -48.094 flat angles C4'-P-C4' energy: -50.479 flat angles P-C4'-P energy: -47.321 tors. eta vs tors. theta energy: -42.590 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: 10 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -661.541258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.541258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.541258 (E_RNA) where: Base-Base interactions energy: -414.309 where: short stacking energy: -201.134 Base-Backbone interact. energy: -0.497 local terms energy: -246.735090 where: bonds (distance) C4'-P energy: -52.790 bonds (distance) P-C4' energy: -58.369 flat angles C4'-P-C4' energy: -53.009 flat angles P-C4'-P energy: -35.869 tors. eta vs tors. theta energy: -46.698 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: 2 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -740.676356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.676356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.676356 (E_RNA) where: Base-Base interactions energy: -480.683 where: short stacking energy: -208.753 Base-Backbone interact. energy: -0.863 local terms energy: -259.130237 where: bonds (distance) C4'-P energy: -45.622 bonds (distance) P-C4' energy: -64.830 flat angles C4'-P-C4' energy: -52.391 flat angles P-C4'-P energy: -39.577 tors. eta vs tors. theta energy: -56.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -368.785011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.785011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.785011 (E_RNA) where: Base-Base interactions energy: -171.646 where: short stacking energy: -111.353 Base-Backbone interact. energy: 0.169 local terms energy: -197.308417 where: bonds (distance) C4'-P energy: -56.303 bonds (distance) P-C4' energy: -43.056 flat angles C4'-P-C4' energy: -48.819 flat angles P-C4'-P energy: -41.597 tors. eta vs tors. theta energy: -7.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -346.746897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.746897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.746897 (E_RNA) where: Base-Base interactions energy: -159.136 where: short stacking energy: -97.376 Base-Backbone interact. energy: -0.574 local terms energy: -187.037451 where: bonds (distance) C4'-P energy: -47.723 bonds (distance) P-C4' energy: -55.852 flat angles C4'-P-C4' energy: -48.651 flat angles P-C4'-P energy: -27.292 tors. eta vs tors. theta energy: -7.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1071.432753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.432753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.432753 (E_RNA) where: Base-Base interactions energy: -741.821 where: short stacking energy: -335.770 Base-Backbone interact. energy: -0.653 local terms energy: -328.958693 where: bonds (distance) C4'-P energy: -48.233 bonds (distance) P-C4' energy: -70.192 flat angles C4'-P-C4' energy: -73.769 flat angles P-C4'-P energy: -44.224 tors. eta vs tors. theta energy: -92.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1069.903217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.903217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.903217 (E_RNA) where: Base-Base interactions energy: -753.534 where: short stacking energy: -318.664 Base-Backbone interact. energy: 4.749 local terms energy: -321.117934 where: bonds (distance) C4'-P energy: -56.315 bonds (distance) P-C4' energy: -63.581 flat angles C4'-P-C4' energy: -70.093 flat angles P-C4'-P energy: -43.616 tors. eta vs tors. theta energy: -87.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1043.343171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.343171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.343171 (E_RNA) where: Base-Base interactions energy: -729.272 where: short stacking energy: -326.776 Base-Backbone interact. energy: -0.687 local terms energy: -313.384117 where: bonds (distance) C4'-P energy: -59.019 bonds (distance) P-C4' energy: -60.869 flat angles C4'-P-C4' energy: -65.604 flat angles P-C4'-P energy: -36.892 tors. eta vs tors. theta energy: -91.000 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: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -923.609023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.609023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.609023 (E_RNA) where: Base-Base interactions energy: -644.742 where: short stacking energy: -275.988 Base-Backbone interact. energy: -0.872 local terms energy: -277.995488 where: bonds (distance) C4'-P energy: -45.951 bonds (distance) P-C4' energy: -58.743 flat angles C4'-P-C4' energy: -65.811 flat angles P-C4'-P energy: -38.644 tors. eta vs tors. theta energy: -68.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -889.257047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.257047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.257047 (E_RNA) where: Base-Base interactions energy: -601.096 where: short stacking energy: -257.472 Base-Backbone interact. energy: -2.198 local terms energy: -285.963158 where: bonds (distance) C4'-P energy: -48.822 bonds (distance) P-C4' energy: -64.456 flat angles C4'-P-C4' energy: -68.917 flat angles P-C4'-P energy: -42.642 tors. eta vs tors. theta energy: -61.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -749.296976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.296976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.296976 (E_RNA) where: Base-Base interactions energy: -484.307 where: short stacking energy: -223.014 Base-Backbone interact. energy: -0.708 local terms energy: -264.281749 where: bonds (distance) C4'-P energy: -56.651 bonds (distance) P-C4' energy: -56.998 flat angles C4'-P-C4' energy: -57.466 flat angles P-C4'-P energy: -39.953 tors. eta vs tors. theta energy: -53.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -725.377971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.377971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.377971 (E_RNA) where: Base-Base interactions energy: -476.495 where: short stacking energy: -218.345 Base-Backbone interact. energy: -0.529 local terms energy: -248.354595 where: bonds (distance) C4'-P energy: -45.049 bonds (distance) P-C4' energy: -51.319 flat angles C4'-P-C4' energy: -59.189 flat angles P-C4'-P energy: -36.243 tors. eta vs tors. theta energy: -56.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -723.706509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.706509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.706509 (E_RNA) where: Base-Base interactions energy: -473.648 where: short stacking energy: -201.169 Base-Backbone interact. energy: -1.006 local terms energy: -249.052268 where: bonds (distance) C4'-P energy: -59.663 bonds (distance) P-C4' energy: -57.479 flat angles C4'-P-C4' energy: -59.477 flat angles P-C4'-P energy: -32.136 tors. eta vs tors. theta energy: -40.298 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: 9, replica: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -342.696862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.696862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.696862 (E_RNA) where: Base-Base interactions energy: -166.485 where: short stacking energy: -118.958 Base-Backbone interact. energy: 3.661 local terms energy: -179.873185 where: bonds (distance) C4'-P energy: -51.579 bonds (distance) P-C4' energy: -54.682 flat angles C4'-P-C4' energy: -39.977 flat angles P-C4'-P energy: -18.889 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: 10, replica: 4 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -358.003271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.003271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.003271 (E_RNA) where: Base-Base interactions energy: -173.258 where: short stacking energy: -103.816 Base-Backbone interact. energy: -1.017 local terms energy: -183.728435 where: bonds (distance) C4'-P energy: -35.154 bonds (distance) P-C4' energy: -48.283 flat angles C4'-P-C4' energy: -58.798 flat angles P-C4'-P energy: -32.377 tors. eta vs tors. theta energy: -9.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1088.707413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.707413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.707413 (E_RNA) where: Base-Base interactions energy: -733.366 where: short stacking energy: -327.149 Base-Backbone interact. energy: -0.884 local terms energy: -354.457441 where: bonds (distance) C4'-P energy: -60.986 bonds (distance) P-C4' energy: -75.880 flat angles C4'-P-C4' energy: -75.603 flat angles P-C4'-P energy: -49.900 tors. eta vs tors. theta energy: -92.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1079.670636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.670636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.670636 (E_RNA) where: Base-Base interactions energy: -745.935 where: short stacking energy: -319.723 Base-Backbone interact. energy: -0.096 local terms energy: -333.639563 where: bonds (distance) C4'-P energy: -51.627 bonds (distance) P-C4' energy: -68.756 flat angles C4'-P-C4' energy: -72.213 flat angles P-C4'-P energy: -45.225 tors. eta vs tors. theta energy: -95.819 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: 3 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1019.534309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.534309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.534309 (E_RNA) where: Base-Base interactions energy: -713.931 where: short stacking energy: -304.431 Base-Backbone interact. energy: 4.913 local terms energy: -310.516029 where: bonds (distance) C4'-P energy: -61.509 bonds (distance) P-C4' energy: -60.723 flat angles C4'-P-C4' energy: -63.694 flat angles P-C4'-P energy: -37.832 tors. eta vs tors. theta energy: -86.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -907.393775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.393775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.393775 (E_RNA) where: Base-Base interactions energy: -612.903 where: short stacking energy: -268.121 Base-Backbone interact. energy: -1.646 local terms energy: -292.845445 where: bonds (distance) C4'-P energy: -58.166 bonds (distance) P-C4' energy: -69.526 flat angles C4'-P-C4' energy: -57.535 flat angles P-C4'-P energy: -41.355 tors. eta vs tors. theta energy: -66.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -882.283955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.283955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.283955 (E_RNA) where: Base-Base interactions energy: -586.895 where: short stacking energy: -267.339 Base-Backbone interact. energy: -1.294 local terms energy: -294.094682 where: bonds (distance) C4'-P energy: -57.220 bonds (distance) P-C4' energy: -62.408 flat angles C4'-P-C4' energy: -63.572 flat angles P-C4'-P energy: -41.039 tors. eta vs tors. theta energy: -69.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -796.153437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.153437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.153437 (E_RNA) where: Base-Base interactions energy: -504.943 where: short stacking energy: -234.092 Base-Backbone interact. energy: 1.084 local terms energy: -292.294396 where: bonds (distance) C4'-P energy: -59.424 bonds (distance) P-C4' energy: -64.902 flat angles C4'-P-C4' energy: -70.176 flat angles P-C4'-P energy: -36.125 tors. eta vs tors. theta energy: -61.668 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: 63 Temperature: 1.200000 Total energy: -735.742091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.742091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.742091 (E_RNA) where: Base-Base interactions energy: -482.435 where: short stacking energy: -217.354 Base-Backbone interact. energy: -0.082 local terms energy: -253.225332 where: bonds (distance) C4'-P energy: -62.365 bonds (distance) P-C4' energy: -48.145 flat angles C4'-P-C4' energy: -54.617 flat angles P-C4'-P energy: -30.101 tors. eta vs tors. theta energy: -57.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -764.008982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.008982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.008982 (E_RNA) where: Base-Base interactions energy: -519.073 where: short stacking energy: -195.267 Base-Backbone interact. energy: -0.682 local terms energy: -244.253882 where: bonds (distance) C4'-P energy: -58.757 bonds (distance) P-C4' energy: -60.626 flat angles C4'-P-C4' energy: -64.683 flat angles P-C4'-P energy: -25.326 tors. eta vs tors. theta energy: -34.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -360.159411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.159411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.159411 (E_RNA) where: Base-Base interactions energy: -158.084 where: short stacking energy: -111.306 Base-Backbone interact. energy: -1.407 local terms energy: -200.668285 where: bonds (distance) C4'-P energy: -61.774 bonds (distance) P-C4' energy: -49.531 flat angles C4'-P-C4' energy: -41.694 flat angles P-C4'-P energy: -46.043 tors. eta vs tors. theta energy: -1.626 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: 4 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -343.074634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.074634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.074634 (E_RNA) where: Base-Base interactions energy: -168.070 where: short stacking energy: -86.558 Base-Backbone interact. energy: -0.024 local terms energy: -174.981503 where: bonds (distance) C4'-P energy: -57.169 bonds (distance) P-C4' energy: -51.486 flat angles C4'-P-C4' energy: -44.655 flat angles P-C4'-P energy: -23.471 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: 1, replica: 6 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1101.059396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.059396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.059396 (E_RNA) where: Base-Base interactions energy: -738.524 where: short stacking energy: -328.778 Base-Backbone interact. energy: -0.279 local terms energy: -362.256645 where: bonds (distance) C4'-P energy: -76.618 bonds (distance) P-C4' energy: -65.896 flat angles C4'-P-C4' energy: -71.296 flat angles P-C4'-P energy: -57.788 tors. eta vs tors. theta energy: -90.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1066.760733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.760733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.760733 (E_RNA) where: Base-Base interactions energy: -707.529 where: short stacking energy: -311.849 Base-Backbone interact. energy: -1.187 local terms energy: -358.044696 where: bonds (distance) C4'-P energy: -68.198 bonds (distance) P-C4' energy: -65.518 flat angles C4'-P-C4' energy: -74.535 flat angles P-C4'-P energy: -56.019 tors. eta vs tors. theta energy: -93.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1020.440609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.440609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.440609 (E_RNA) where: Base-Base interactions energy: -698.351 where: short stacking energy: -298.158 Base-Backbone interact. energy: 1.051 local terms energy: -323.140541 where: bonds (distance) C4'-P energy: -55.250 bonds (distance) P-C4' energy: -55.550 flat angles C4'-P-C4' energy: -74.906 flat angles P-C4'-P energy: -44.136 tors. eta vs tors. theta energy: -93.299 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: 1 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -945.910831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.910831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.910831 (E_RNA) where: Base-Base interactions energy: -683.075 where: short stacking energy: -285.554 Base-Backbone interact. energy: -1.213 local terms energy: -261.622746 where: bonds (distance) C4'-P energy: -57.908 bonds (distance) P-C4' energy: -46.546 flat angles C4'-P-C4' energy: -55.986 flat angles P-C4'-P energy: -27.429 tors. eta vs tors. theta energy: -73.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -881.276266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.276266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.276266 (E_RNA) where: Base-Base interactions energy: -590.741 where: short stacking energy: -252.982 Base-Backbone interact. energy: -0.080 local terms energy: -290.455126 where: bonds (distance) C4'-P energy: -61.787 bonds (distance) P-C4' energy: -64.876 flat angles C4'-P-C4' energy: -52.508 flat angles P-C4'-P energy: -42.760 tors. eta vs tors. theta energy: -68.523 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: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -794.413139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.413139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.413139 (E_RNA) where: Base-Base interactions energy: -525.321 where: short stacking energy: -258.734 Base-Backbone interact. energy: 3.701 local terms energy: -272.793704 where: bonds (distance) C4'-P energy: -58.038 bonds (distance) P-C4' energy: -56.457 flat angles C4'-P-C4' energy: -58.749 flat angles P-C4'-P energy: -27.923 tors. eta vs tors. theta energy: -71.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -777.028530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.028530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.028530 (E_RNA) where: Base-Base interactions energy: -503.615 where: short stacking energy: -214.575 Base-Backbone interact. energy: 0.064 local terms energy: -273.477813 where: bonds (distance) C4'-P energy: -63.256 bonds (distance) P-C4' energy: -63.051 flat angles C4'-P-C4' energy: -55.949 flat angles P-C4'-P energy: -33.706 tors. eta vs tors. theta energy: -57.516 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: 8 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -694.506678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.506678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.506678 (E_RNA) where: Base-Base interactions energy: -457.360 where: short stacking energy: -202.106 Base-Backbone interact. energy: 0.134 local terms energy: -237.279808 where: bonds (distance) C4'-P energy: -41.586 bonds (distance) P-C4' energy: -55.499 flat angles C4'-P-C4' energy: -64.731 flat angles P-C4'-P energy: -35.918 tors. eta vs tors. theta energy: -39.545 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: 64 Temperature: 1.300000 Total energy: -387.566751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.566751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.566751 (E_RNA) where: Base-Base interactions energy: -219.285 where: short stacking energy: -132.854 Base-Backbone interact. energy: -2.270 local terms energy: -166.012149 where: bonds (distance) C4'-P energy: -57.838 bonds (distance) P-C4' energy: -36.910 flat angles C4'-P-C4' energy: -40.034 flat angles P-C4'-P energy: -28.957 tors. eta vs tors. theta energy: -2.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -355.714395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.714395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.714395 (E_RNA) where: Base-Base interactions energy: -170.803 where: short stacking energy: -132.677 Base-Backbone interact. energy: -0.794 local terms energy: -184.117549 where: bonds (distance) C4'-P energy: -49.105 bonds (distance) P-C4' energy: -49.316 flat angles C4'-P-C4' energy: -51.683 flat angles P-C4'-P energy: -23.488 tors. eta vs tors. theta energy: -10.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1123.087456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.087456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.087456 (E_RNA) where: Base-Base interactions energy: -782.418 where: short stacking energy: -330.381 Base-Backbone interact. energy: -0.374 local terms energy: -340.295815 where: bonds (distance) C4'-P energy: -65.103 bonds (distance) P-C4' energy: -67.618 flat angles C4'-P-C4' energy: -69.731 flat angles P-C4'-P energy: -41.033 tors. eta vs tors. theta energy: -96.811 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: 5 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1059.635188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.635188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.635188 (E_RNA) where: Base-Base interactions energy: -713.365 where: short stacking energy: -322.285 Base-Backbone interact. energy: -0.177 local terms energy: -346.093584 where: bonds (distance) C4'-P energy: -62.901 bonds (distance) P-C4' energy: -69.395 flat angles C4'-P-C4' energy: -77.119 flat angles P-C4'-P energy: -47.820 tors. eta vs tors. theta energy: -88.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1015.200061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.200061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.200061 (E_RNA) where: Base-Base interactions energy: -663.692 where: short stacking energy: -303.056 Base-Backbone interact. energy: -1.093 local terms energy: -350.415511 where: bonds (distance) C4'-P energy: -64.865 bonds (distance) P-C4' energy: -67.019 flat angles C4'-P-C4' energy: -76.075 flat angles P-C4'-P energy: -51.340 tors. eta vs tors. theta energy: -91.117 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: 65 Temperature: 1.050000 Total energy: -938.489897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.489897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.489897 (E_RNA) where: Base-Base interactions energy: -629.838 where: short stacking energy: -274.081 Base-Backbone interact. energy: -1.935 local terms energy: -306.717227 where: bonds (distance) C4'-P energy: -65.602 bonds (distance) P-C4' energy: -58.954 flat angles C4'-P-C4' energy: -66.741 flat angles P-C4'-P energy: -44.013 tors. eta vs tors. theta energy: -71.407 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: 5, replica: 1 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -864.272037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.272037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.272037 (E_RNA) where: Base-Base interactions energy: -606.145 where: short stacking energy: -270.769 Base-Backbone interact. energy: -0.151 local terms energy: -257.975789 where: bonds (distance) C4'-P energy: -46.388 bonds (distance) P-C4' energy: -51.782 flat angles C4'-P-C4' energy: -61.881 flat angles P-C4'-P energy: -33.679 tors. eta vs tors. theta energy: -64.245 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: 10 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -808.966801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.966801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.966801 (E_RNA) where: Base-Base interactions energy: -525.726 where: short stacking energy: -240.855 Base-Backbone interact. energy: -1.280 local terms energy: -281.961037 where: bonds (distance) C4'-P energy: -61.826 bonds (distance) P-C4' energy: -66.860 flat angles C4'-P-C4' energy: -53.476 flat angles P-C4'-P energy: -47.226 tors. eta vs tors. theta energy: -52.573 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: 2 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -782.521142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.521142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.521142 (E_RNA) where: Base-Base interactions energy: -497.527 where: short stacking energy: -233.011 Base-Backbone interact. energy: 0.587 local terms energy: -285.581050 where: bonds (distance) C4'-P energy: -56.949 bonds (distance) P-C4' energy: -64.064 flat angles C4'-P-C4' energy: -62.728 flat angles P-C4'-P energy: -33.112 tors. eta vs tors. theta energy: -68.728 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: 8, replica: 8 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -722.289345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.289345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.289345 (E_RNA) where: Base-Base interactions energy: -472.356 where: short stacking energy: -217.696 Base-Backbone interact. energy: -2.180 local terms energy: -247.753618 where: bonds (distance) C4'-P energy: -44.648 bonds (distance) P-C4' energy: -56.373 flat angles C4'-P-C4' energy: -55.239 flat angles P-C4'-P energy: -29.422 tors. eta vs tors. theta energy: -62.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -392.056069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.056069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.056069 (E_RNA) where: Base-Base interactions energy: -184.163 where: short stacking energy: -120.046 Base-Backbone interact. energy: 0.210 local terms energy: -208.102803 where: bonds (distance) C4'-P energy: -55.158 bonds (distance) P-C4' energy: -54.716 flat angles C4'-P-C4' energy: -44.471 flat angles P-C4'-P energy: -34.491 tors. eta vs tors. theta energy: -19.267 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: 7 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -289.427967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.427967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.427967 (E_RNA) where: Base-Base interactions energy: -106.392 where: short stacking energy: -72.463 Base-Backbone interact. energy: -0.332 local terms energy: -182.703995 where: bonds (distance) C4'-P energy: -52.082 bonds (distance) P-C4' energy: -67.698 flat angles C4'-P-C4' energy: -29.793 flat angles P-C4'-P energy: -38.144 tors. eta vs tors. theta energy: 5.013 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: 6 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1123.852647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.852647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.852647 (E_RNA) where: Base-Base interactions energy: -776.580 where: short stacking energy: -346.495 Base-Backbone interact. energy: -0.701 local terms energy: -346.571659 where: bonds (distance) C4'-P energy: -63.363 bonds (distance) P-C4' energy: -58.924 flat angles C4'-P-C4' energy: -76.006 flat angles P-C4'-P energy: -40.418 tors. eta vs tors. theta energy: -107.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1040.294635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.294635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.294635 (E_RNA) where: Base-Base interactions energy: -709.269 where: short stacking energy: -318.920 Base-Backbone interact. energy: -2.343 local terms energy: -328.682931 where: bonds (distance) C4'-P energy: -51.856 bonds (distance) P-C4' energy: -65.189 flat angles C4'-P-C4' energy: -77.944 flat angles P-C4'-P energy: -38.259 tors. eta vs tors. theta energy: -95.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1003.192206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.192206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.192206 (E_RNA) where: Base-Base interactions energy: -656.626 where: short stacking energy: -304.594 Base-Backbone interact. energy: -2.110 local terms energy: -344.456666 where: bonds (distance) C4'-P energy: -67.823 bonds (distance) P-C4' energy: -62.929 flat angles C4'-P-C4' energy: -66.438 flat angles P-C4'-P energy: -52.232 tors. eta vs tors. theta energy: -95.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -940.266349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.266349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.266349 (E_RNA) where: Base-Base interactions energy: -651.438 where: short stacking energy: -274.060 Base-Backbone interact. energy: -3.138 local terms energy: -285.689959 where: bonds (distance) C4'-P energy: -50.000 bonds (distance) P-C4' energy: -54.167 flat angles C4'-P-C4' energy: -63.166 flat angles P-C4'-P energy: -41.359 tors. eta vs tors. theta energy: -76.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -840.651929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.651929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.651929 (E_RNA) where: Base-Base interactions energy: -570.451 where: short stacking energy: -257.707 Base-Backbone interact. energy: -0.175 local terms energy: -270.026377 where: bonds (distance) C4'-P energy: -54.685 bonds (distance) P-C4' energy: -55.388 flat angles C4'-P-C4' energy: -54.100 flat angles P-C4'-P energy: -40.394 tors. eta vs tors. theta energy: -65.460 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: 6, replica: 10 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -804.439052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.439052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.439052 (E_RNA) where: Base-Base interactions energy: -536.987 where: short stacking energy: -234.554 Base-Backbone interact. energy: 0.563 local terms energy: -268.015767 where: bonds (distance) C4'-P energy: -59.138 bonds (distance) P-C4' energy: -57.259 flat angles C4'-P-C4' energy: -56.671 flat angles P-C4'-P energy: -34.789 tors. eta vs tors. theta energy: -60.159 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: 2 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -764.075598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.075598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.075598 (E_RNA) where: Base-Base interactions energy: -486.702 where: short stacking energy: -216.580 Base-Backbone interact. energy: -1.324 local terms energy: -276.050011 where: bonds (distance) C4'-P energy: -68.020 bonds (distance) P-C4' energy: -62.290 flat angles C4'-P-C4' energy: -54.356 flat angles P-C4'-P energy: -34.669 tors. eta vs tors. theta energy: -56.715 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: 66 Temperature: 1.250000 Total energy: -723.840155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.840155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.840155 (E_RNA) where: Base-Base interactions energy: -479.505 where: short stacking energy: -194.685 Base-Backbone interact. energy: -0.957 local terms energy: -243.378113 where: bonds (distance) C4'-P energy: -51.123 bonds (distance) P-C4' energy: -53.757 flat angles C4'-P-C4' energy: -61.132 flat angles P-C4'-P energy: -36.772 tors. eta vs tors. theta energy: -40.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -369.900090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.900090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.900090 (E_RNA) where: Base-Base interactions energy: -157.188 where: short stacking energy: -100.561 Base-Backbone interact. energy: -1.179 local terms energy: -211.533340 where: bonds (distance) C4'-P energy: -74.248 bonds (distance) P-C4' energy: -54.476 flat angles C4'-P-C4' energy: -57.873 flat angles P-C4'-P energy: -29.225 tors. eta vs tors. theta energy: 4.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -316.662237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.662237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.662237 (E_RNA) where: Base-Base interactions energy: -159.954 where: short stacking energy: -109.617 Base-Backbone interact. energy: 0.167 local terms energy: -156.875818 where: bonds (distance) C4'-P energy: -47.842 bonds (distance) P-C4' energy: -37.129 flat angles C4'-P-C4' energy: -43.550 flat angles P-C4'-P energy: -29.424 tors. eta vs tors. theta energy: 1.070 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: 1, replica: 6 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1127.708224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.708224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.708224 (E_RNA) where: Base-Base interactions energy: -798.679 where: short stacking energy: -341.631 Base-Backbone interact. energy: -0.826 local terms energy: -328.202844 where: bonds (distance) C4'-P energy: -62.247 bonds (distance) P-C4' energy: -54.256 flat angles C4'-P-C4' energy: -65.346 flat angles P-C4'-P energy: -47.309 tors. eta vs tors. theta energy: -99.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1058.837547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.837547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.837547 (E_RNA) where: Base-Base interactions energy: -712.036 where: short stacking energy: -338.445 Base-Backbone interact. energy: -0.463 local terms energy: -346.338281 where: bonds (distance) C4'-P energy: -63.889 bonds (distance) P-C4' energy: -62.426 flat angles C4'-P-C4' energy: -75.480 flat angles P-C4'-P energy: -47.467 tors. eta vs tors. theta energy: -97.076 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: 3 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -982.318206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.318206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.318206 (E_RNA) where: Base-Base interactions energy: -661.108 where: short stacking energy: -286.995 Base-Backbone interact. energy: -1.392 local terms energy: -319.818023 where: bonds (distance) C4'-P energy: -57.131 bonds (distance) P-C4' energy: -65.517 flat angles C4'-P-C4' energy: -73.210 flat angles P-C4'-P energy: -40.029 tors. eta vs tors. theta energy: -83.931 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: 9 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -952.756580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.756580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.756580 (E_RNA) where: Base-Base interactions energy: -624.248 where: short stacking energy: -274.163 Base-Backbone interact. energy: -4.183 local terms energy: -324.325621 where: bonds (distance) C4'-P energy: -59.773 bonds (distance) P-C4' energy: -66.289 flat angles C4'-P-C4' energy: -65.853 flat angles P-C4'-P energy: -44.680 tors. eta vs tors. theta energy: -87.731 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: 1 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -847.553950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.553950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.553950 (E_RNA) where: Base-Base interactions energy: -566.245 where: short stacking energy: -253.340 Base-Backbone interact. energy: 2.453 local terms energy: -283.761583 where: bonds (distance) C4'-P energy: -59.882 bonds (distance) P-C4' energy: -56.961 flat angles C4'-P-C4' energy: -58.209 flat angles P-C4'-P energy: -40.834 tors. eta vs tors. theta energy: -67.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -786.974680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.974680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.974680 (E_RNA) where: Base-Base interactions energy: -510.792 where: short stacking energy: -240.930 Base-Backbone interact. energy: -1.158 local terms energy: -275.024336 where: bonds (distance) C4'-P energy: -59.379 bonds (distance) P-C4' energy: -61.612 flat angles C4'-P-C4' energy: -61.433 flat angles P-C4'-P energy: -31.169 tors. eta vs tors. theta energy: -61.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -742.051759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.051759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.051759 (E_RNA) where: Base-Base interactions energy: -469.767 where: short stacking energy: -215.932 Base-Backbone interact. energy: -2.755 local terms energy: -269.529294 where: bonds (distance) C4'-P energy: -58.523 bonds (distance) P-C4' energy: -65.934 flat angles C4'-P-C4' energy: -55.781 flat angles P-C4'-P energy: -38.114 tors. eta vs tors. theta energy: -51.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -742.084729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.084729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.084729 (E_RNA) where: Base-Base interactions energy: -480.009 where: short stacking energy: -200.420 Base-Backbone interact. energy: -1.553 local terms energy: -260.522681 where: bonds (distance) C4'-P energy: -51.379 bonds (distance) P-C4' energy: -64.502 flat angles C4'-P-C4' energy: -64.189 flat angles P-C4'-P energy: -39.324 tors. eta vs tors. theta energy: -41.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -398.509176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.509176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.509176 (E_RNA) where: Base-Base interactions energy: -190.470 where: short stacking energy: -123.460 Base-Backbone interact. energy: -0.794 local terms energy: -207.245542 where: bonds (distance) C4'-P energy: -60.720 bonds (distance) P-C4' energy: -55.701 flat angles C4'-P-C4' energy: -47.802 flat angles P-C4'-P energy: -27.309 tors. eta vs tors. theta energy: -15.713 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: 10, replica: 7 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -289.818114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.818114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.818114 (E_RNA) where: Base-Base interactions energy: -109.137 where: short stacking energy: -78.703 Base-Backbone interact. energy: -0.193 local terms energy: -180.487792 where: bonds (distance) C4'-P energy: -55.515 bonds (distance) P-C4' energy: -49.122 flat angles C4'-P-C4' energy: -47.860 flat angles P-C4'-P energy: -30.075 tors. eta vs tors. theta energy: 2.085 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: 6 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1123.208545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.208545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.208545 (E_RNA) where: Base-Base interactions energy: -787.308 where: short stacking energy: -334.050 Base-Backbone interact. energy: -0.111 local terms energy: -335.789848 where: bonds (distance) C4'-P energy: -63.562 bonds (distance) P-C4' energy: -59.410 flat angles C4'-P-C4' energy: -72.730 flat angles P-C4'-P energy: -41.707 tors. eta vs tors. theta energy: -98.381 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: 68 Temperature: 0.950000 Total energy: -1042.037934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.037934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.037934 (E_RNA) where: Base-Base interactions energy: -721.586 where: short stacking energy: -333.625 Base-Backbone interact. energy: -1.163 local terms energy: -319.288756 where: bonds (distance) C4'-P energy: -58.725 bonds (distance) P-C4' energy: -65.971 flat angles C4'-P-C4' energy: -66.460 flat angles P-C4'-P energy: -46.370 tors. eta vs tors. theta energy: -81.763 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: 3, replica: 9 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -934.601180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.601180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.601180 (E_RNA) where: Base-Base interactions energy: -616.585 where: short stacking energy: -271.183 Base-Backbone interact. energy: -2.346 local terms energy: -315.669836 where: bonds (distance) C4'-P energy: -62.288 bonds (distance) P-C4' energy: -64.551 flat angles C4'-P-C4' energy: -67.513 flat angles P-C4'-P energy: -47.721 tors. eta vs tors. theta energy: -73.597 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: 3 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -954.764836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.764836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.764836 (E_RNA) where: Base-Base interactions energy: -645.648 where: short stacking energy: -285.277 Base-Backbone interact. energy: -0.932 local terms energy: -308.184766 where: bonds (distance) C4'-P energy: -57.601 bonds (distance) P-C4' energy: -51.701 flat angles C4'-P-C4' energy: -69.898 flat angles P-C4'-P energy: -45.695 tors. eta vs tors. theta energy: -83.289 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: 1 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -848.001796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.001796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.001796 (E_RNA) where: Base-Base interactions energy: -559.549 where: short stacking energy: -251.049 Base-Backbone interact. energy: -1.004 local terms energy: -287.448891 where: bonds (distance) C4'-P energy: -61.946 bonds (distance) P-C4' energy: -58.102 flat angles C4'-P-C4' energy: -64.666 flat angles P-C4'-P energy: -36.226 tors. eta vs tors. theta energy: -66.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -760.718453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.718453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.718453 (E_RNA) where: Base-Base interactions energy: -486.088 where: short stacking energy: -221.424 Base-Backbone interact. energy: -0.456 local terms energy: -274.174566 where: bonds (distance) C4'-P energy: -56.712 bonds (distance) P-C4' energy: -63.133 flat angles C4'-P-C4' energy: -62.018 flat angles P-C4'-P energy: -38.953 tors. eta vs tors. theta energy: -53.360 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: 8 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -746.594150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.594150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.594150 (E_RNA) where: Base-Base interactions energy: -495.862 where: short stacking energy: -225.870 Base-Backbone interact. energy: -0.528 local terms energy: -250.204244 where: bonds (distance) C4'-P energy: -44.820 bonds (distance) P-C4' energy: -63.393 flat angles C4'-P-C4' energy: -55.207 flat angles P-C4'-P energy: -43.052 tors. eta vs tors. theta energy: -43.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -629.737719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.737719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.737719 (E_RNA) where: Base-Base interactions energy: -390.278 where: short stacking energy: -178.273 Base-Backbone interact. energy: -1.252 local terms energy: -238.207779 where: bonds (distance) C4'-P energy: -65.715 bonds (distance) P-C4' energy: -40.461 flat angles C4'-P-C4' energy: -53.369 flat angles P-C4'-P energy: -37.454 tors. eta vs tors. theta energy: -41.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -323.787774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.787774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.787774 (E_RNA) where: Base-Base interactions energy: -112.369 where: short stacking energy: -96.375 Base-Backbone interact. energy: -0.706 local terms energy: -210.712868 where: bonds (distance) C4'-P energy: -50.963 bonds (distance) P-C4' energy: -61.465 flat angles C4'-P-C4' energy: -67.462 flat angles P-C4'-P energy: -28.852 tors. eta vs tors. theta energy: -1.971 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: 10, replica: 4 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -338.001365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.001365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.001365 (E_RNA) where: Base-Base interactions energy: -191.587 where: short stacking energy: -101.566 Base-Backbone interact. energy: 2.840 local terms energy: -149.254405 where: bonds (distance) C4'-P energy: -37.462 bonds (distance) P-C4' energy: -42.455 flat angles C4'-P-C4' energy: -43.623 flat angles P-C4'-P energy: -35.948 tors. eta vs tors. theta energy: 10.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1122.676982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.676982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.676982 (E_RNA) where: Base-Base interactions energy: -783.527 where: short stacking energy: -333.120 Base-Backbone interact. energy: -1.016 local terms energy: -338.133611 where: bonds (distance) C4'-P energy: -60.181 bonds (distance) P-C4' energy: -67.306 flat angles C4'-P-C4' energy: -72.843 flat angles P-C4'-P energy: -36.299 tors. eta vs tors. theta energy: -101.505 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: 5 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1028.816616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.816616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.816616 (E_RNA) where: Base-Base interactions energy: -698.236 where: short stacking energy: -320.024 Base-Backbone interact. energy: 0.360 local terms energy: -330.940176 where: bonds (distance) C4'-P energy: -58.435 bonds (distance) P-C4' energy: -62.477 flat angles C4'-P-C4' energy: -66.558 flat angles P-C4'-P energy: -56.712 tors. eta vs tors. theta energy: -86.757 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: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -977.614410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.614410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.614410 (E_RNA) where: Base-Base interactions energy: -670.612 where: short stacking energy: -287.613 Base-Backbone interact. energy: -1.925 local terms energy: -305.077651 where: bonds (distance) C4'-P energy: -62.759 bonds (distance) P-C4' energy: -63.729 flat angles C4'-P-C4' energy: -60.337 flat angles P-C4'-P energy: -39.396 tors. eta vs tors. theta energy: -78.857 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: 3 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -968.074139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.074139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.074139 (E_RNA) where: Base-Base interactions energy: -660.084 where: short stacking energy: -292.745 Base-Backbone interact. energy: -1.090 local terms energy: -306.900745 where: bonds (distance) C4'-P energy: -56.393 bonds (distance) P-C4' energy: -55.025 flat angles C4'-P-C4' energy: -60.942 flat angles P-C4'-P energy: -41.755 tors. eta vs tors. theta energy: -92.786 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: 1 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -861.664160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.664160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.664160 (E_RNA) where: Base-Base interactions energy: -584.884 where: short stacking energy: -258.641 Base-Backbone interact. energy: -0.892 local terms energy: -275.888290 where: bonds (distance) C4'-P energy: -53.671 bonds (distance) P-C4' energy: -59.694 flat angles C4'-P-C4' energy: -65.511 flat angles P-C4'-P energy: -38.570 tors. eta vs tors. theta energy: -58.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -805.517015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.517015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.517015 (E_RNA) where: Base-Base interactions energy: -532.823 where: short stacking energy: -233.606 Base-Backbone interact. energy: -1.118 local terms energy: -271.576003 where: bonds (distance) C4'-P energy: -60.868 bonds (distance) P-C4' energy: -58.795 flat angles C4'-P-C4' energy: -51.605 flat angles P-C4'-P energy: -42.364 tors. eta vs tors. theta energy: -57.944 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: 8 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -774.215266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.215266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.215266 (E_RNA) where: Base-Base interactions energy: -513.429 where: short stacking energy: -230.037 Base-Backbone interact. energy: -1.260 local terms energy: -259.526325 where: bonds (distance) C4'-P energy: -55.236 bonds (distance) P-C4' energy: -60.209 flat angles C4'-P-C4' energy: -60.623 flat angles P-C4'-P energy: -31.302 tors. eta vs tors. theta energy: -52.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -639.646558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.646558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.646558 (E_RNA) where: Base-Base interactions energy: -390.045 where: short stacking energy: -182.443 Base-Backbone interact. energy: 0.021 local terms energy: -249.622832 where: bonds (distance) C4'-P energy: -55.732 bonds (distance) P-C4' energy: -54.617 flat angles C4'-P-C4' energy: -63.399 flat angles P-C4'-P energy: -31.196 tors. eta vs tors. theta energy: -44.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -335.420946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.420946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.420946 (E_RNA) where: Base-Base interactions energy: -126.332 where: short stacking energy: -104.067 Base-Backbone interact. energy: -0.386 local terms energy: -208.703657 where: bonds (distance) C4'-P energy: -54.107 bonds (distance) P-C4' energy: -65.173 flat angles C4'-P-C4' energy: -42.903 flat angles P-C4'-P energy: -42.276 tors. eta vs tors. theta energy: -4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -346.448643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.448643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.448643 (E_RNA) where: Base-Base interactions energy: -170.277 where: short stacking energy: -92.828 Base-Backbone interact. energy: -0.399 local terms energy: -175.772042 where: bonds (distance) C4'-P energy: -47.203 bonds (distance) P-C4' energy: -49.678 flat angles C4'-P-C4' energy: -49.490 flat angles P-C4'-P energy: -34.365 tors. eta vs tors. theta energy: 4.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1112.295093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.295093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.295093 (E_RNA) where: Base-Base interactions energy: -780.334 where: short stacking energy: -356.387 Base-Backbone interact. energy: 0.009 local terms energy: -331.969885 where: bonds (distance) C4'-P energy: -59.690 bonds (distance) P-C4' energy: -61.273 flat angles C4'-P-C4' energy: -65.765 flat angles P-C4'-P energy: -44.937 tors. eta vs tors. theta energy: -100.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1026.012009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.012009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.012009 (E_RNA) where: Base-Base interactions energy: -686.887 where: short stacking energy: -316.452 Base-Backbone interact. energy: -0.639 local terms energy: -338.485613 where: bonds (distance) C4'-P energy: -52.416 bonds (distance) P-C4' energy: -68.252 flat angles C4'-P-C4' energy: -74.923 flat angles P-C4'-P energy: -47.461 tors. eta vs tors. theta energy: -95.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -998.761359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.761359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.761359 (E_RNA) where: Base-Base interactions energy: -682.025 where: short stacking energy: -307.228 Base-Backbone interact. energy: -2.034 local terms energy: -314.702394 where: bonds (distance) C4'-P energy: -60.251 bonds (distance) P-C4' energy: -53.181 flat angles C4'-P-C4' energy: -65.818 flat angles P-C4'-P energy: -50.595 tors. eta vs tors. theta energy: -84.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -947.625951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.625951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.625951 (E_RNA) where: Base-Base interactions energy: -648.060 where: short stacking energy: -286.136 Base-Backbone interact. energy: -0.516 local terms energy: -299.050464 where: bonds (distance) C4'-P energy: -49.820 bonds (distance) P-C4' energy: -60.691 flat angles C4'-P-C4' energy: -69.525 flat angles P-C4'-P energy: -37.920 tors. eta vs tors. theta energy: -81.093 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: 70 Temperature: 1.100000 Total energy: -824.339956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.339956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.339956 (E_RNA) where: Base-Base interactions energy: -545.746 where: short stacking energy: -234.765 Base-Backbone interact. energy: 0.489 local terms energy: -279.082973 where: bonds (distance) C4'-P energy: -59.124 bonds (distance) P-C4' energy: -58.995 flat angles C4'-P-C4' energy: -64.853 flat angles P-C4'-P energy: -42.555 tors. eta vs tors. theta energy: -53.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -787.299891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.299891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.299891 (E_RNA) where: Base-Base interactions energy: -523.167 where: short stacking energy: -231.206 Base-Backbone interact. energy: 0.892 local terms energy: -265.025541 where: bonds (distance) C4'-P energy: -54.929 bonds (distance) P-C4' energy: -62.705 flat angles C4'-P-C4' energy: -59.432 flat angles P-C4'-P energy: -31.702 tors. eta vs tors. theta energy: -56.258 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: 8 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -777.319446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.319446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.319446 (E_RNA) where: Base-Base interactions energy: -505.465 where: short stacking energy: -210.902 Base-Backbone interact. energy: -0.654 local terms energy: -271.200950 where: bonds (distance) C4'-P energy: -48.179 bonds (distance) P-C4' energy: -70.468 flat angles C4'-P-C4' energy: -59.631 flat angles P-C4'-P energy: -46.626 tors. eta vs tors. theta energy: -46.297 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: 8, replica: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -689.450098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.450098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.450098 (E_RNA) where: Base-Base interactions energy: -428.632 where: short stacking energy: -212.063 Base-Backbone interact. energy: 0.226 local terms energy: -261.044654 where: bonds (distance) C4'-P energy: -59.155 bonds (distance) P-C4' energy: -52.252 flat angles C4'-P-C4' energy: -56.972 flat angles P-C4'-P energy: -41.815 tors. eta vs tors. theta energy: -50.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -388.681935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.681935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.681935 (E_RNA) where: Base-Base interactions energy: -176.524 where: short stacking energy: -110.019 Base-Backbone interact. energy: 0.250 local terms energy: -212.408746 where: bonds (distance) C4'-P energy: -52.358 bonds (distance) P-C4' energy: -68.659 flat angles C4'-P-C4' energy: -58.295 flat angles P-C4'-P energy: -27.761 tors. eta vs tors. theta energy: -5.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -292.551320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.551320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.551320 (E_RNA) where: Base-Base interactions energy: -125.894 where: short stacking energy: -85.762 Base-Backbone interact. energy: 2.267 local terms energy: -168.924187 where: bonds (distance) C4'-P energy: -54.514 bonds (distance) P-C4' energy: -54.942 flat angles C4'-P-C4' energy: -37.332 flat angles P-C4'-P energy: -21.127 tors. eta vs tors. theta energy: -1.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1103.274652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.274652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.274652 (E_RNA) where: Base-Base interactions energy: -759.007 where: short stacking energy: -329.659 Base-Backbone interact. energy: -0.721 local terms energy: -343.547016 where: bonds (distance) C4'-P energy: -63.232 bonds (distance) P-C4' energy: -62.080 flat angles C4'-P-C4' energy: -70.259 flat angles P-C4'-P energy: -46.653 tors. eta vs tors. theta energy: -101.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1041.738776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.738776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.738776 (E_RNA) where: Base-Base interactions energy: -704.715 where: short stacking energy: -311.136 Base-Backbone interact. energy: 0.699 local terms energy: -337.722244 where: bonds (distance) C4'-P energy: -72.882 bonds (distance) P-C4' energy: -61.590 flat angles C4'-P-C4' energy: -68.149 flat angles P-C4'-P energy: -44.814 tors. eta vs tors. theta energy: -90.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1014.386684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.386684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.386684 (E_RNA) where: Base-Base interactions energy: -685.733 where: short stacking energy: -303.293 Base-Backbone interact. energy: -2.286 local terms energy: -326.367527 where: bonds (distance) C4'-P energy: -42.500 bonds (distance) P-C4' energy: -71.584 flat angles C4'-P-C4' energy: -71.526 flat angles P-C4'-P energy: -54.917 tors. eta vs tors. theta energy: -85.841 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: 9 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -936.648939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.648939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.648939 (E_RNA) where: Base-Base interactions energy: -619.132 where: short stacking energy: -278.311 Base-Backbone interact. energy: 1.177 local terms energy: -318.694819 where: bonds (distance) C4'-P energy: -62.483 bonds (distance) P-C4' energy: -61.825 flat angles C4'-P-C4' energy: -70.065 flat angles P-C4'-P energy: -46.265 tors. eta vs tors. theta energy: -78.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -844.827964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.827964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.827964 (E_RNA) where: Base-Base interactions energy: -563.723 where: short stacking energy: -225.434 Base-Backbone interact. energy: -0.414 local terms energy: -280.691160 where: bonds (distance) C4'-P energy: -64.016 bonds (distance) P-C4' energy: -57.891 flat angles C4'-P-C4' energy: -61.998 flat angles P-C4'-P energy: -34.597 tors. eta vs tors. theta energy: -62.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -815.705571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.705571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.705571 (E_RNA) where: Base-Base interactions energy: -567.283 where: short stacking energy: -249.484 Base-Backbone interact. energy: 2.715 local terms energy: -251.136776 where: bonds (distance) C4'-P energy: -47.988 bonds (distance) P-C4' energy: -60.426 flat angles C4'-P-C4' energy: -56.340 flat angles P-C4'-P energy: -24.519 tors. eta vs tors. theta energy: -61.863 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: 8 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -787.575081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.575081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.575081 (E_RNA) where: Base-Base interactions energy: -516.360 where: short stacking energy: -222.329 Base-Backbone interact. energy: -3.141 local terms energy: -268.073976 where: bonds (distance) C4'-P energy: -55.698 bonds (distance) P-C4' energy: -65.663 flat angles C4'-P-C4' energy: -68.894 flat angles P-C4'-P energy: -16.301 tors. eta vs tors. theta energy: -61.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -651.195007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.195007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.195007 (E_RNA) where: Base-Base interactions energy: -406.911 where: short stacking energy: -188.104 Base-Backbone interact. energy: -1.410 local terms energy: -242.873564 where: bonds (distance) C4'-P energy: -55.361 bonds (distance) P-C4' energy: -51.985 flat angles C4'-P-C4' energy: -56.954 flat angles P-C4'-P energy: -35.788 tors. eta vs tors. theta energy: -42.786 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: 71 Temperature: 1.300000 Total energy: -376.542189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.542189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.542189 (E_RNA) where: Base-Base interactions energy: -186.711 where: short stacking energy: -104.519 Base-Backbone interact. energy: -0.859 local terms energy: -188.972360 where: bonds (distance) C4'-P energy: -51.918 bonds (distance) P-C4' energy: -59.146 flat angles C4'-P-C4' energy: -51.908 flat angles P-C4'-P energy: -14.031 tors. eta vs tors. theta energy: -11.970 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: 10, replica: 7 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -299.594326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.594326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.594326 (E_RNA) where: Base-Base interactions energy: -116.555 where: short stacking energy: -103.358 Base-Backbone interact. energy: -0.047 local terms energy: -182.991821 where: bonds (distance) C4'-P energy: -51.675 bonds (distance) P-C4' energy: -51.417 flat angles C4'-P-C4' energy: -61.146 flat angles P-C4'-P energy: -15.712 tors. eta vs tors. theta energy: -3.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1111.190250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.190250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.190250 (E_RNA) where: Base-Base interactions energy: -775.847 where: short stacking energy: -334.286 Base-Backbone interact. energy: 0.023 local terms energy: -335.366663 where: bonds (distance) C4'-P energy: -56.542 bonds (distance) P-C4' energy: -61.108 flat angles C4'-P-C4' energy: -69.778 flat angles P-C4'-P energy: -50.613 tors. eta vs tors. theta energy: -97.326 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: 5 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1032.683386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.683386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.683386 (E_RNA) where: Base-Base interactions energy: -699.971 where: short stacking energy: -323.365 Base-Backbone interact. energy: -0.344 local terms energy: -332.368257 where: bonds (distance) C4'-P energy: -58.368 bonds (distance) P-C4' energy: -63.960 flat angles C4'-P-C4' energy: -69.659 flat angles P-C4'-P energy: -52.915 tors. eta vs tors. theta energy: -87.467 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: 3 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1027.047841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.047841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.047841 (E_RNA) where: Base-Base interactions energy: -711.501 where: short stacking energy: -313.571 Base-Backbone interact. energy: -1.485 local terms energy: -314.061941 where: bonds (distance) C4'-P energy: -46.947 bonds (distance) P-C4' energy: -56.492 flat angles C4'-P-C4' energy: -67.082 flat angles P-C4'-P energy: -41.563 tors. eta vs tors. theta energy: -101.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -914.817518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.817518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.817518 (E_RNA) where: Base-Base interactions energy: -599.329 where: short stacking energy: -275.328 Base-Backbone interact. energy: -1.422 local terms energy: -314.066558 where: bonds (distance) C4'-P energy: -67.310 bonds (distance) P-C4' energy: -56.476 flat angles C4'-P-C4' energy: -65.397 flat angles P-C4'-P energy: -46.376 tors. eta vs tors. theta energy: -78.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -897.060154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.060154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.060154 (E_RNA) where: Base-Base interactions energy: -600.332 where: short stacking energy: -256.116 Base-Backbone interact. energy: -0.764 local terms energy: -295.963965 where: bonds (distance) C4'-P energy: -67.347 bonds (distance) P-C4' energy: -59.215 flat angles C4'-P-C4' energy: -67.400 flat angles P-C4'-P energy: -36.350 tors. eta vs tors. theta energy: -65.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -845.705994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.705994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.705994 (E_RNA) where: Base-Base interactions energy: -580.633 where: short stacking energy: -231.351 Base-Backbone interact. energy: 1.074 local terms energy: -266.147539 where: bonds (distance) C4'-P energy: -54.661 bonds (distance) P-C4' energy: -59.011 flat angles C4'-P-C4' energy: -56.379 flat angles P-C4'-P energy: -37.358 tors. eta vs tors. theta energy: -58.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -796.655911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.655911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.655911 (E_RNA) where: Base-Base interactions energy: -525.359 where: short stacking energy: -226.056 Base-Backbone interact. energy: -0.963 local terms energy: -270.334467 where: bonds (distance) C4'-P energy: -60.458 bonds (distance) P-C4' energy: -54.905 flat angles C4'-P-C4' energy: -55.656 flat angles P-C4'-P energy: -38.791 tors. eta vs tors. theta energy: -60.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -634.234990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.234990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.234990 (E_RNA) where: Base-Base interactions energy: -396.567 where: short stacking energy: -166.559 Base-Backbone interact. energy: -1.482 local terms energy: -236.185055 where: bonds (distance) C4'-P energy: -55.290 bonds (distance) P-C4' energy: -52.236 flat angles C4'-P-C4' energy: -47.898 flat angles P-C4'-P energy: -36.985 tors. eta vs tors. theta energy: -43.775 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: 4 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -388.441503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.441503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.441503 (E_RNA) where: Base-Base interactions energy: -182.358 where: short stacking energy: -93.773 Base-Backbone interact. energy: 1.234 local terms energy: -207.317024 where: bonds (distance) C4'-P energy: -58.736 bonds (distance) P-C4' energy: -47.540 flat angles C4'-P-C4' energy: -52.891 flat angles P-C4'-P energy: -35.152 tors. eta vs tors. theta energy: -12.998 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: 7 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -276.590898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.590898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.590898 (E_RNA) where: Base-Base interactions energy: -103.104 where: short stacking energy: -82.923 Base-Backbone interact. energy: -1.528 local terms energy: -171.958034 where: bonds (distance) C4'-P energy: -52.157 bonds (distance) P-C4' energy: -43.586 flat angles C4'-P-C4' energy: -53.260 flat angles P-C4'-P energy: -25.641 tors. eta vs tors. theta energy: 2.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1107.380265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.380265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.380265 (E_RNA) where: Base-Base interactions energy: -758.692 where: short stacking energy: -323.328 Base-Backbone interact. energy: -1.403 local terms energy: -347.284834 where: bonds (distance) C4'-P energy: -62.962 bonds (distance) P-C4' energy: -65.788 flat angles C4'-P-C4' energy: -73.558 flat angles P-C4'-P energy: -53.590 tors. eta vs tors. theta energy: -91.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1046.036271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.036271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.036271 (E_RNA) where: Base-Base interactions energy: -701.441 where: short stacking energy: -314.993 Base-Backbone interact. energy: -1.276 local terms energy: -343.318832 where: bonds (distance) C4'-P energy: -60.912 bonds (distance) P-C4' energy: -67.411 flat angles C4'-P-C4' energy: -73.060 flat angles P-C4'-P energy: -43.931 tors. eta vs tors. theta energy: -98.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1008.422514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.422514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.422514 (E_RNA) where: Base-Base interactions energy: -671.234 where: short stacking energy: -310.364 Base-Backbone interact. energy: -0.786 local terms energy: -336.402931 where: bonds (distance) C4'-P energy: -56.591 bonds (distance) P-C4' energy: -71.696 flat angles C4'-P-C4' energy: -71.085 flat angles P-C4'-P energy: -47.752 tors. eta vs tors. theta energy: -89.279 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: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -950.048085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.048085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.048085 (E_RNA) where: Base-Base interactions energy: -658.439 where: short stacking energy: -277.441 Base-Backbone interact. energy: -0.619 local terms energy: -290.989779 where: bonds (distance) C4'-P energy: -54.720 bonds (distance) P-C4' energy: -67.682 flat angles C4'-P-C4' energy: -63.380 flat angles P-C4'-P energy: -33.695 tors. eta vs tors. theta energy: -71.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -880.356935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.356935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.356935 (E_RNA) where: Base-Base interactions energy: -602.559 where: short stacking energy: -249.977 Base-Backbone interact. energy: -4.074 local terms energy: -273.723992 where: bonds (distance) C4'-P energy: -54.634 bonds (distance) P-C4' energy: -52.920 flat angles C4'-P-C4' energy: -59.857 flat angles P-C4'-P energy: -37.770 tors. eta vs tors. theta energy: -68.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -861.598309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.598309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.598309 (E_RNA) where: Base-Base interactions energy: -594.599 where: short stacking energy: -242.820 Base-Backbone interact. energy: -0.780 local terms energy: -266.218925 where: bonds (distance) C4'-P energy: -51.812 bonds (distance) P-C4' energy: -62.900 flat angles C4'-P-C4' energy: -60.163 flat angles P-C4'-P energy: -37.262 tors. eta vs tors. theta energy: -54.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -770.764035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.764035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.764035 (E_RNA) where: Base-Base interactions energy: -512.003 where: short stacking energy: -218.397 Base-Backbone interact. energy: -0.899 local terms energy: -257.861986 where: bonds (distance) C4'-P energy: -54.929 bonds (distance) P-C4' energy: -52.060 flat angles C4'-P-C4' energy: -52.826 flat angles P-C4'-P energy: -41.765 tors. eta vs tors. theta energy: -56.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -639.201040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.201040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.201040 (E_RNA) where: Base-Base interactions energy: -393.965 where: short stacking energy: -207.952 Base-Backbone interact. energy: -0.499 local terms energy: -244.736943 where: bonds (distance) C4'-P energy: -55.966 bonds (distance) P-C4' energy: -50.188 flat angles C4'-P-C4' energy: -59.953 flat angles P-C4'-P energy: -25.894 tors. eta vs tors. theta energy: -52.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -422.178111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.178111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.178111 (E_RNA) where: Base-Base interactions energy: -228.687 where: short stacking energy: -128.059 Base-Backbone interact. energy: 0.993 local terms energy: -194.483309 where: bonds (distance) C4'-P energy: -58.873 bonds (distance) P-C4' energy: -50.978 flat angles C4'-P-C4' energy: -42.224 flat angles P-C4'-P energy: -29.265 tors. eta vs tors. theta energy: -13.144 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: 7 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -287.162241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.162241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.162241 (E_RNA) where: Base-Base interactions energy: -138.410 where: short stacking energy: -89.820 Base-Backbone interact. energy: -0.611 local terms energy: -148.141928 where: bonds (distance) C4'-P energy: -28.903 bonds (distance) P-C4' energy: -55.413 flat angles C4'-P-C4' energy: -51.634 flat angles P-C4'-P energy: -25.245 tors. eta vs tors. theta energy: 13.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1115.564625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.564625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.564625 (E_RNA) where: Base-Base interactions energy: -761.306 where: short stacking energy: -322.315 Base-Backbone interact. energy: -0.984 local terms energy: -353.275075 where: bonds (distance) C4'-P energy: -67.941 bonds (distance) P-C4' energy: -69.510 flat angles C4'-P-C4' energy: -73.918 flat angles P-C4'-P energy: -46.993 tors. eta vs tors. theta energy: -94.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1048.776443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.776443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.776443 (E_RNA) where: Base-Base interactions energy: -695.407 where: short stacking energy: -320.383 Base-Backbone interact. energy: -1.012 local terms energy: -352.357442 where: bonds (distance) C4'-P energy: -71.403 bonds (distance) P-C4' energy: -65.278 flat angles C4'-P-C4' energy: -69.034 flat angles P-C4'-P energy: -48.493 tors. eta vs tors. theta energy: -98.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1017.134673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.134673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.134673 (E_RNA) where: Base-Base interactions energy: -696.676 where: short stacking energy: -301.815 Base-Backbone interact. energy: -1.500 local terms energy: -318.958214 where: bonds (distance) C4'-P energy: -58.209 bonds (distance) P-C4' energy: -60.513 flat angles C4'-P-C4' energy: -67.168 flat angles P-C4'-P energy: -46.443 tors. eta vs tors. theta energy: -86.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -975.124997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.124997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.124997 (E_RNA) where: Base-Base interactions energy: -680.445 where: short stacking energy: -296.092 Base-Backbone interact. energy: -0.968 local terms energy: -293.711895 where: bonds (distance) C4'-P energy: -61.046 bonds (distance) P-C4' energy: -64.966 flat angles C4'-P-C4' energy: -67.961 flat angles P-C4'-P energy: -28.440 tors. eta vs tors. theta energy: -71.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -865.659751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.659751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.659751 (E_RNA) where: Base-Base interactions energy: -565.239 where: short stacking energy: -266.630 Base-Backbone interact. energy: -2.934 local terms energy: -297.486496 where: bonds (distance) C4'-P energy: -64.207 bonds (distance) P-C4' energy: -64.069 flat angles C4'-P-C4' energy: -67.211 flat angles P-C4'-P energy: -37.419 tors. eta vs tors. theta energy: -64.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -849.955414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.955414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.955414 (E_RNA) where: Base-Base interactions energy: -584.972 where: short stacking energy: -246.384 Base-Backbone interact. energy: 0.890 local terms energy: -265.873535 where: bonds (distance) C4'-P energy: -62.651 bonds (distance) P-C4' energy: -44.312 flat angles C4'-P-C4' energy: -57.547 flat angles P-C4'-P energy: -43.237 tors. eta vs tors. theta energy: -58.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -762.933963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.933963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.933963 (E_RNA) where: Base-Base interactions energy: -479.817 where: short stacking energy: -224.312 Base-Backbone interact. energy: -1.513 local terms energy: -281.603936 where: bonds (distance) C4'-P energy: -56.944 bonds (distance) P-C4' energy: -59.539 flat angles C4'-P-C4' energy: -64.709 flat angles P-C4'-P energy: -36.286 tors. eta vs tors. theta energy: -64.126 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: 2 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -618.685600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.685600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.685600 (E_RNA) where: Base-Base interactions energy: -397.628 where: short stacking energy: -197.154 Base-Backbone interact. energy: -0.087 local terms energy: -220.970503 where: bonds (distance) C4'-P energy: -47.960 bonds (distance) P-C4' energy: -60.935 flat angles C4'-P-C4' energy: -48.302 flat angles P-C4'-P energy: -29.393 tors. eta vs tors. theta energy: -34.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -471.316776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.316776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.316776 (E_RNA) where: Base-Base interactions energy: -286.398 where: short stacking energy: -129.789 Base-Backbone interact. energy: -1.806 local terms energy: -183.112881 where: bonds (distance) C4'-P energy: -40.427 bonds (distance) P-C4' energy: -63.435 flat angles C4'-P-C4' energy: -47.345 flat angles P-C4'-P energy: -20.769 tors. eta vs tors. theta energy: -11.138 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: 7 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -294.795042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.795042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.795042 (E_RNA) where: Base-Base interactions energy: -114.611 where: short stacking energy: -93.303 Base-Backbone interact. energy: -0.766 local terms energy: -179.418170 where: bonds (distance) C4'-P energy: -60.053 bonds (distance) P-C4' energy: -43.893 flat angles C4'-P-C4' energy: -56.655 flat angles P-C4'-P energy: -26.417 tors. eta vs tors. theta energy: 7.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1125.096443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.096443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.096443 (E_RNA) where: Base-Base interactions energy: -761.717 where: short stacking energy: -323.241 Base-Backbone interact. energy: -1.250 local terms energy: -362.129054 where: bonds (distance) C4'-P energy: -68.188 bonds (distance) P-C4' energy: -66.945 flat angles C4'-P-C4' energy: -77.761 flat angles P-C4'-P energy: -48.426 tors. eta vs tors. theta energy: -100.808 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: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1049.020818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.020818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.020818 (E_RNA) where: Base-Base interactions energy: -713.728 where: short stacking energy: -323.071 Base-Backbone interact. energy: 0.779 local terms energy: -336.072455 where: bonds (distance) C4'-P energy: -57.945 bonds (distance) P-C4' energy: -70.052 flat angles C4'-P-C4' energy: -76.763 flat angles P-C4'-P energy: -39.814 tors. eta vs tors. theta energy: -91.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1014.516019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.516019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.516019 (E_RNA) where: Base-Base interactions energy: -691.745 where: short stacking energy: -305.330 Base-Backbone interact. energy: -2.711 local terms energy: -320.060073 where: bonds (distance) C4'-P energy: -64.754 bonds (distance) P-C4' energy: -60.119 flat angles C4'-P-C4' energy: -76.827 flat angles P-C4'-P energy: -36.475 tors. eta vs tors. theta energy: -81.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -989.254918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.254918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.254918 (E_RNA) where: Base-Base interactions energy: -674.262 where: short stacking energy: -305.216 Base-Backbone interact. energy: -1.265 local terms energy: -313.727391 where: bonds (distance) C4'-P energy: -58.229 bonds (distance) P-C4' energy: -65.104 flat angles C4'-P-C4' energy: -69.967 flat angles P-C4'-P energy: -35.927 tors. eta vs tors. theta energy: -84.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -888.172184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.172184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.172184 (E_RNA) where: Base-Base interactions energy: -580.466 where: short stacking energy: -259.220 Base-Backbone interact. energy: -1.969 local terms energy: -305.737585 where: bonds (distance) C4'-P energy: -62.038 bonds (distance) P-C4' energy: -52.215 flat angles C4'-P-C4' energy: -59.226 flat angles P-C4'-P energy: -56.192 tors. eta vs tors. theta energy: -76.067 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: 6, replica: 10 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -855.296031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.296031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.296031 (E_RNA) where: Base-Base interactions energy: -588.146 where: short stacking energy: -265.316 Base-Backbone interact. energy: 2.020 local terms energy: -269.170332 where: bonds (distance) C4'-P energy: -58.105 bonds (distance) P-C4' energy: -56.492 flat angles C4'-P-C4' energy: -61.415 flat angles P-C4'-P energy: -26.816 tors. eta vs tors. theta energy: -66.342 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: 8 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -806.160285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.160285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.160285 (E_RNA) where: Base-Base interactions energy: -537.371 where: short stacking energy: -220.032 Base-Backbone interact. energy: -0.772 local terms energy: -268.016758 where: bonds (distance) C4'-P energy: -51.935 bonds (distance) P-C4' energy: -60.267 flat angles C4'-P-C4' energy: -66.911 flat angles P-C4'-P energy: -35.789 tors. eta vs tors. theta energy: -53.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -638.391963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.391963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.391963 (E_RNA) where: Base-Base interactions energy: -402.322 where: short stacking energy: -198.606 Base-Backbone interact. energy: 0.159 local terms energy: -236.229052 where: bonds (distance) C4'-P energy: -51.003 bonds (distance) P-C4' energy: -53.369 flat angles C4'-P-C4' energy: -57.209 flat angles P-C4'-P energy: -34.328 tors. eta vs tors. theta energy: -40.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -431.394577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.394577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.394577 (E_RNA) where: Base-Base interactions energy: -241.514 where: short stacking energy: -123.938 Base-Backbone interact. energy: 4.232 local terms energy: -194.112543 where: bonds (distance) C4'-P energy: -53.992 bonds (distance) P-C4' energy: -39.208 flat angles C4'-P-C4' energy: -55.050 flat angles P-C4'-P energy: -25.641 tors. eta vs tors. theta energy: -20.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -311.674753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.674753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.674753 (E_RNA) where: Base-Base interactions energy: -129.102 where: short stacking energy: -77.776 Base-Backbone interact. energy: -0.953 local terms energy: -181.620588 where: bonds (distance) C4'-P energy: -50.655 bonds (distance) P-C4' energy: -51.038 flat angles C4'-P-C4' energy: -55.510 flat angles P-C4'-P energy: -27.189 tors. eta vs tors. theta energy: 2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1107.740796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.740796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.740796 (E_RNA) where: Base-Base interactions energy: -751.787 where: short stacking energy: -341.458 Base-Backbone interact. energy: -1.891 local terms energy: -354.063266 where: bonds (distance) C4'-P energy: -66.011 bonds (distance) P-C4' energy: -62.619 flat angles C4'-P-C4' energy: -71.461 flat angles P-C4'-P energy: -47.826 tors. eta vs tors. theta energy: -106.146 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: 3 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1047.713857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.713857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.713857 (E_RNA) where: Base-Base interactions energy: -703.862 where: short stacking energy: -310.441 Base-Backbone interact. energy: -1.251 local terms energy: -342.600068 where: bonds (distance) C4'-P energy: -61.522 bonds (distance) P-C4' energy: -63.831 flat angles C4'-P-C4' energy: -74.598 flat angles P-C4'-P energy: -47.732 tors. eta vs tors. theta energy: -94.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1023.433274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.433274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.433274 (E_RNA) where: Base-Base interactions energy: -696.502 where: short stacking energy: -310.149 Base-Backbone interact. energy: -2.712 local terms energy: -324.218581 where: bonds (distance) C4'-P energy: -67.629 bonds (distance) P-C4' energy: -62.826 flat angles C4'-P-C4' energy: -62.088 flat angles P-C4'-P energy: -39.883 tors. eta vs tors. theta energy: -91.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -976.220819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.220819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.220819 (E_RNA) where: Base-Base interactions energy: -683.239 where: short stacking energy: -270.445 Base-Backbone interact. energy: 0.344 local terms energy: -293.325799 where: bonds (distance) C4'-P energy: -57.938 bonds (distance) P-C4' energy: -58.586 flat angles C4'-P-C4' energy: -57.396 flat angles P-C4'-P energy: -47.105 tors. eta vs tors. theta energy: -72.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -903.809034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.809034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.809034 (E_RNA) where: Base-Base interactions energy: -621.997 where: short stacking energy: -251.859 Base-Backbone interact. energy: -1.189 local terms energy: -280.622626 where: bonds (distance) C4'-P energy: -43.654 bonds (distance) P-C4' energy: -50.511 flat angles C4'-P-C4' energy: -73.631 flat angles P-C4'-P energy: -48.030 tors. eta vs tors. theta energy: -64.796 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: 9 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -829.058539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.058539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.058539 (E_RNA) where: Base-Base interactions energy: -554.192 where: short stacking energy: -230.573 Base-Backbone interact. energy: -1.762 local terms energy: -273.104170 where: bonds (distance) C4'-P energy: -50.062 bonds (distance) P-C4' energy: -60.800 flat angles C4'-P-C4' energy: -66.390 flat angles P-C4'-P energy: -31.075 tors. eta vs tors. theta energy: -64.777 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: 8 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -786.047425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.047425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.047425 (E_RNA) where: Base-Base interactions energy: -526.461 where: short stacking energy: -228.059 Base-Backbone interact. energy: -1.080 local terms energy: -258.506255 where: bonds (distance) C4'-P energy: -45.648 bonds (distance) P-C4' energy: -53.700 flat angles C4'-P-C4' energy: -56.627 flat angles P-C4'-P energy: -35.480 tors. eta vs tors. theta energy: -67.052 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: 2 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -656.756478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.756478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.756478 (E_RNA) where: Base-Base interactions energy: -411.718 where: short stacking energy: -198.744 Base-Backbone interact. energy: -1.008 local terms energy: -244.030475 where: bonds (distance) C4'-P energy: -54.208 bonds (distance) P-C4' energy: -58.555 flat angles C4'-P-C4' energy: -54.053 flat angles P-C4'-P energy: -33.884 tors. eta vs tors. theta energy: -43.330 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: 76 Temperature: 1.300000 Total energy: -429.171537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.171537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.171537 (E_RNA) where: Base-Base interactions energy: -233.675 where: short stacking energy: -132.340 Base-Backbone interact. energy: 1.511 local terms energy: -197.006974 where: bonds (distance) C4'-P energy: -52.377 bonds (distance) P-C4' energy: -59.784 flat angles C4'-P-C4' energy: -38.144 flat angles P-C4'-P energy: -28.304 tors. eta vs tors. theta energy: -18.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -286.570509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.570509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.570509 (E_RNA) where: Base-Base interactions energy: -109.056 where: short stacking energy: -82.277 Base-Backbone interact. energy: 0.113 local terms energy: -177.627588 where: bonds (distance) C4'-P energy: -50.058 bonds (distance) P-C4' energy: -59.838 flat angles C4'-P-C4' energy: -47.263 flat angles P-C4'-P energy: -26.651 tors. eta vs tors. theta energy: 6.182 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: 6 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1103.388160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.388160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.388160 (E_RNA) where: Base-Base interactions energy: -749.858 where: short stacking energy: -328.414 Base-Backbone interact. energy: -0.130 local terms energy: -353.400583 where: bonds (distance) C4'-P energy: -63.859 bonds (distance) P-C4' energy: -71.045 flat angles C4'-P-C4' energy: -74.677 flat angles P-C4'-P energy: -47.356 tors. eta vs tors. theta energy: -96.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1048.344867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.344867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.344867 (E_RNA) where: Base-Base interactions energy: -729.156 where: short stacking energy: -316.446 Base-Backbone interact. energy: 0.667 local terms energy: -319.855674 where: bonds (distance) C4'-P energy: -65.124 bonds (distance) P-C4' energy: -54.525 flat angles C4'-P-C4' energy: -60.111 flat angles P-C4'-P energy: -51.933 tors. eta vs tors. theta energy: -88.162 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: 3 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1015.324267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.324267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.324267 (E_RNA) where: Base-Base interactions energy: -696.210 where: short stacking energy: -312.223 Base-Backbone interact. energy: 1.486 local terms energy: -320.600832 where: bonds (distance) C4'-P energy: -54.408 bonds (distance) P-C4' energy: -66.361 flat angles C4'-P-C4' energy: -68.016 flat angles P-C4'-P energy: -48.609 tors. eta vs tors. theta energy: -83.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -944.979127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.979127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.979127 (E_RNA) where: Base-Base interactions energy: -637.361 where: short stacking energy: -287.650 Base-Backbone interact. energy: -1.209 local terms energy: -306.408900 where: bonds (distance) C4'-P energy: -65.670 bonds (distance) P-C4' energy: -53.956 flat angles C4'-P-C4' energy: -70.300 flat angles P-C4'-P energy: -38.484 tors. eta vs tors. theta energy: -77.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -926.999312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.999312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.999312 (E_RNA) where: Base-Base interactions energy: -622.069 where: short stacking energy: -273.158 Base-Backbone interact. energy: -1.498 local terms energy: -303.432865 where: bonds (distance) C4'-P energy: -56.593 bonds (distance) P-C4' energy: -70.355 flat angles C4'-P-C4' energy: -61.750 flat angles P-C4'-P energy: -40.198 tors. eta vs tors. theta energy: -74.538 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: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -823.191390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.191390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.191390 (E_RNA) where: Base-Base interactions energy: -534.135 where: short stacking energy: -234.932 Base-Backbone interact. energy: 1.993 local terms energy: -291.049504 where: bonds (distance) C4'-P energy: -52.706 bonds (distance) P-C4' energy: -70.820 flat angles C4'-P-C4' energy: -66.076 flat angles P-C4'-P energy: -32.814 tors. eta vs tors. theta energy: -68.633 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: 9 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -785.110025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.110025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.110025 (E_RNA) where: Base-Base interactions energy: -536.357 where: short stacking energy: -232.112 Base-Backbone interact. energy: -3.399 local terms energy: -245.354384 where: bonds (distance) C4'-P energy: -48.404 bonds (distance) P-C4' energy: -50.746 flat angles C4'-P-C4' energy: -64.631 flat angles P-C4'-P energy: -25.785 tors. eta vs tors. theta energy: -55.788 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: 2 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -630.653145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.653145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.653145 (E_RNA) where: Base-Base interactions energy: -377.260 where: short stacking energy: -179.669 Base-Backbone interact. energy: -0.275 local terms energy: -253.118870 where: bonds (distance) C4'-P energy: -64.250 bonds (distance) P-C4' energy: -52.400 flat angles C4'-P-C4' energy: -57.710 flat angles P-C4'-P energy: -42.518 tors. eta vs tors. theta energy: -36.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -410.729816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.729816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.729816 (E_RNA) where: Base-Base interactions energy: -223.577 where: short stacking energy: -129.868 Base-Backbone interact. energy: -0.659 local terms energy: -186.494233 where: bonds (distance) C4'-P energy: -45.315 bonds (distance) P-C4' energy: -51.340 flat angles C4'-P-C4' energy: -43.929 flat angles P-C4'-P energy: -31.245 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: 10, replica: 7 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -380.506072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.506072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.506072 (E_RNA) where: Base-Base interactions energy: -206.960 where: short stacking energy: -116.057 Base-Backbone interact. energy: -2.350 local terms energy: -171.196538 where: bonds (distance) C4'-P energy: -44.444 bonds (distance) P-C4' energy: -60.604 flat angles C4'-P-C4' energy: -42.653 flat angles P-C4'-P energy: -29.369 tors. eta vs tors. theta energy: 5.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1100.419323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.419323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.419323 (E_RNA) where: Base-Base interactions energy: -755.427 where: short stacking energy: -314.337 Base-Backbone interact. energy: -1.278 local terms energy: -343.713554 where: bonds (distance) C4'-P energy: -68.105 bonds (distance) P-C4' energy: -64.077 flat angles C4'-P-C4' energy: -77.569 flat angles P-C4'-P energy: -50.264 tors. eta vs tors. theta energy: -83.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1049.855698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.855698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.855698 (E_RNA) where: Base-Base interactions energy: -715.069 where: short stacking energy: -311.006 Base-Backbone interact. energy: -2.742 local terms energy: -332.044382 where: bonds (distance) C4'-P energy: -63.498 bonds (distance) P-C4' energy: -69.549 flat angles C4'-P-C4' energy: -72.671 flat angles P-C4'-P energy: -43.693 tors. eta vs tors. theta energy: -82.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1027.664774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.664774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.664774 (E_RNA) where: Base-Base interactions energy: -709.587 where: short stacking energy: -318.542 Base-Backbone interact. energy: -0.550 local terms energy: -317.528573 where: bonds (distance) C4'-P energy: -50.656 bonds (distance) P-C4' energy: -65.119 flat angles C4'-P-C4' energy: -70.263 flat angles P-C4'-P energy: -38.639 tors. eta vs tors. theta energy: -92.851 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: 78 Temperature: 1.050000 Total energy: -964.625737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.625737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.625737 (E_RNA) where: Base-Base interactions energy: -652.605 where: short stacking energy: -286.502 Base-Backbone interact. energy: -0.378 local terms energy: -311.642781 where: bonds (distance) C4'-P energy: -51.149 bonds (distance) P-C4' energy: -61.789 flat angles C4'-P-C4' energy: -67.331 flat angles P-C4'-P energy: -50.080 tors. eta vs tors. theta energy: -81.294 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: 1 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -889.714933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.714933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.714933 (E_RNA) where: Base-Base interactions energy: -595.421 where: short stacking energy: -254.945 Base-Backbone interact. energy: -0.843 local terms energy: -293.450541 where: bonds (distance) C4'-P energy: -65.495 bonds (distance) P-C4' energy: -50.844 flat angles C4'-P-C4' energy: -63.910 flat angles P-C4'-P energy: -48.155 tors. eta vs tors. theta energy: -65.047 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: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -851.610167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.610167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.610167 (E_RNA) where: Base-Base interactions energy: -562.226 where: short stacking energy: -253.646 Base-Backbone interact. energy: -0.330 local terms energy: -289.054767 where: bonds (distance) C4'-P energy: -51.732 bonds (distance) P-C4' energy: -59.221 flat angles C4'-P-C4' energy: -64.452 flat angles P-C4'-P energy: -47.627 tors. eta vs tors. theta energy: -66.023 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: 9 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -798.000169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.000169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.000169 (E_RNA) where: Base-Base interactions energy: -519.436 where: short stacking energy: -217.606 Base-Backbone interact. energy: -0.641 local terms energy: -277.923584 where: bonds (distance) C4'-P energy: -60.579 bonds (distance) P-C4' energy: -50.534 flat angles C4'-P-C4' energy: -68.017 flat angles P-C4'-P energy: -46.648 tors. eta vs tors. theta energy: -52.146 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: 2 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -624.855165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.855165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.855165 (E_RNA) where: Base-Base interactions energy: -413.613 where: short stacking energy: -189.244 Base-Backbone interact. energy: 9.798 local terms energy: -221.040079 where: bonds (distance) C4'-P energy: -55.301 bonds (distance) P-C4' energy: -52.619 flat angles C4'-P-C4' energy: -50.494 flat angles P-C4'-P energy: -28.445 tors. eta vs tors. theta energy: -34.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -415.498010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.498010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.498010 (E_RNA) where: Base-Base interactions energy: -219.720 where: short stacking energy: -117.940 Base-Backbone interact. energy: -0.390 local terms energy: -195.387702 where: bonds (distance) C4'-P energy: -45.739 bonds (distance) P-C4' energy: -55.014 flat angles C4'-P-C4' energy: -50.524 flat angles P-C4'-P energy: -32.762 tors. eta vs tors. theta energy: -11.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -359.044339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.044339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.044339 (E_RNA) where: Base-Base interactions energy: -172.092 where: short stacking energy: -98.526 Base-Backbone interact. energy: -2.183 local terms energy: -184.769237 where: bonds (distance) C4'-P energy: -47.302 bonds (distance) P-C4' energy: -70.631 flat angles C4'-P-C4' energy: -49.331 flat angles P-C4'-P energy: -18.659 tors. eta vs tors. theta energy: 1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1117.976979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.976979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.976979 (E_RNA) where: Base-Base interactions energy: -787.618 where: short stacking energy: -331.989 Base-Backbone interact. energy: -1.335 local terms energy: -329.023980 where: bonds (distance) C4'-P energy: -59.472 bonds (distance) P-C4' energy: -64.068 flat angles C4'-P-C4' energy: -70.599 flat angles P-C4'-P energy: -46.313 tors. eta vs tors. theta energy: -88.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1048.682902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.682902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.682902 (E_RNA) where: Base-Base interactions energy: -704.661 where: short stacking energy: -323.641 Base-Backbone interact. energy: -1.406 local terms energy: -342.616325 where: bonds (distance) C4'-P energy: -64.876 bonds (distance) P-C4' energy: -62.893 flat angles C4'-P-C4' energy: -78.176 flat angles P-C4'-P energy: -46.740 tors. eta vs tors. theta energy: -89.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1020.526956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.526956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.526956 (E_RNA) where: Base-Base interactions energy: -686.638 where: short stacking energy: -319.605 Base-Backbone interact. energy: -2.552 local terms energy: -331.336841 where: bonds (distance) C4'-P energy: -56.747 bonds (distance) P-C4' energy: -62.386 flat angles C4'-P-C4' energy: -67.087 flat angles P-C4'-P energy: -50.833 tors. eta vs tors. theta energy: -94.284 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: 10 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -968.666784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.666784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.666784 (E_RNA) where: Base-Base interactions energy: -670.788 where: short stacking energy: -272.722 Base-Backbone interact. energy: -0.799 local terms energy: -297.079619 where: bonds (distance) C4'-P energy: -56.796 bonds (distance) P-C4' energy: -61.593 flat angles C4'-P-C4' energy: -65.189 flat angles P-C4'-P energy: -44.263 tors. eta vs tors. theta energy: -69.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -901.975403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.975403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.975403 (E_RNA) where: Base-Base interactions energy: -626.285 where: short stacking energy: -261.889 Base-Backbone interact. energy: -1.718 local terms energy: -273.972350 where: bonds (distance) C4'-P energy: -53.332 bonds (distance) P-C4' energy: -62.126 flat angles C4'-P-C4' energy: -56.144 flat angles P-C4'-P energy: -40.340 tors. eta vs tors. theta energy: -62.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -806.146030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.146030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.146030 (E_RNA) where: Base-Base interactions energy: -547.471 where: short stacking energy: -238.837 Base-Backbone interact. energy: 0.868 local terms energy: -259.542866 where: bonds (distance) C4'-P energy: -59.847 bonds (distance) P-C4' energy: -50.630 flat angles C4'-P-C4' energy: -60.208 flat angles P-C4'-P energy: -36.945 tors. eta vs tors. theta energy: -51.914 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: 7, replica: 9 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -771.276033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.276033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.276033 (E_RNA) where: Base-Base interactions energy: -492.786 where: short stacking energy: -226.833 Base-Backbone interact. energy: -1.445 local terms energy: -277.044902 where: bonds (distance) C4'-P energy: -50.682 bonds (distance) P-C4' energy: -59.998 flat angles C4'-P-C4' energy: -65.968 flat angles P-C4'-P energy: -33.803 tors. eta vs tors. theta energy: -66.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -635.398625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.398625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.398625 (E_RNA) where: Base-Base interactions energy: -391.421 where: short stacking energy: -190.838 Base-Backbone interact. energy: -1.886 local terms energy: -242.091598 where: bonds (distance) C4'-P energy: -46.617 bonds (distance) P-C4' energy: -60.858 flat angles C4'-P-C4' energy: -51.655 flat angles P-C4'-P energy: -37.213 tors. eta vs tors. theta energy: -45.747 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: 7 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -400.197064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.197064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.197064 (E_RNA) where: Base-Base interactions energy: -198.204 where: short stacking energy: -115.095 Base-Backbone interact. energy: -0.569 local terms energy: -201.424101 where: bonds (distance) C4'-P energy: -57.898 bonds (distance) P-C4' energy: -66.706 flat angles C4'-P-C4' energy: -47.548 flat angles P-C4'-P energy: -25.774 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -347.946201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.946201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.946201 (E_RNA) where: Base-Base interactions energy: -160.329 where: short stacking energy: -108.966 Base-Backbone interact. energy: -0.775 local terms energy: -186.842372 where: bonds (distance) C4'-P energy: -50.743 bonds (distance) P-C4' energy: -55.613 flat angles C4'-P-C4' energy: -56.416 flat angles P-C4'-P energy: -19.529 tors. eta vs tors. theta energy: -4.541 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: 1, replica: 6 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1144.691987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.691987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.691987 (E_RNA) where: Base-Base interactions energy: -777.153 where: short stacking energy: -330.546 Base-Backbone interact. energy: -0.268 local terms energy: -367.271428 where: bonds (distance) C4'-P energy: -75.039 bonds (distance) P-C4' energy: -66.359 flat angles C4'-P-C4' energy: -77.030 flat angles P-C4'-P energy: -50.881 tors. eta vs tors. theta energy: -97.962 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: 2, replica: 5 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1048.248134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.248134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.248134 (E_RNA) where: Base-Base interactions energy: -703.717 where: short stacking energy: -322.549 Base-Backbone interact. energy: -1.805 local terms energy: -342.725484 where: bonds (distance) C4'-P energy: -58.055 bonds (distance) P-C4' energy: -69.478 flat angles C4'-P-C4' energy: -76.674 flat angles P-C4'-P energy: -55.168 tors. eta vs tors. theta energy: -83.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1005.860775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.860775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.860775 (E_RNA) where: Base-Base interactions energy: -674.400 where: short stacking energy: -286.329 Base-Backbone interact. energy: -0.620 local terms energy: -330.840635 where: bonds (distance) C4'-P energy: -64.876 bonds (distance) P-C4' energy: -64.425 flat angles C4'-P-C4' energy: -72.418 flat angles P-C4'-P energy: -45.633 tors. eta vs tors. theta energy: -83.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -988.806590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.806590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.806590 (E_RNA) where: Base-Base interactions energy: -675.724 where: short stacking energy: -292.894 Base-Backbone interact. energy: -2.932 local terms energy: -310.150781 where: bonds (distance) C4'-P energy: -58.758 bonds (distance) P-C4' energy: -63.164 flat angles C4'-P-C4' energy: -66.122 flat angles P-C4'-P energy: -39.772 tors. eta vs tors. theta energy: -82.335 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: 8 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -841.259880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.259880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.259880 (E_RNA) where: Base-Base interactions energy: -570.507 where: short stacking energy: -251.280 Base-Backbone interact. energy: 0.731 local terms energy: -271.484187 where: bonds (distance) C4'-P energy: -65.774 bonds (distance) P-C4' energy: -51.707 flat angles C4'-P-C4' energy: -57.172 flat angles P-C4'-P energy: -40.632 tors. eta vs tors. theta energy: -56.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -850.165699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.165699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.165699 (E_RNA) where: Base-Base interactions energy: -601.760 where: short stacking energy: -244.536 Base-Backbone interact. energy: -1.267 local terms energy: -247.137957 where: bonds (distance) C4'-P energy: -41.732 bonds (distance) P-C4' energy: -59.229 flat angles C4'-P-C4' energy: -62.237 flat angles P-C4'-P energy: -39.484 tors. eta vs tors. theta energy: -44.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -735.065022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.065022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.065022 (E_RNA) where: Base-Base interactions energy: -463.393 where: short stacking energy: -223.957 Base-Backbone interact. energy: -1.731 local terms energy: -269.940916 where: bonds (distance) C4'-P energy: -50.122 bonds (distance) P-C4' energy: -64.471 flat angles C4'-P-C4' energy: -59.566 flat angles P-C4'-P energy: -37.016 tors. eta vs tors. theta energy: -58.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -621.844850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.844850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.844850 (E_RNA) where: Base-Base interactions energy: -396.520 where: short stacking energy: -186.728 Base-Backbone interact. energy: -0.573 local terms energy: -224.751248 where: bonds (distance) C4'-P energy: -32.629 bonds (distance) P-C4' energy: -59.398 flat angles C4'-P-C4' energy: -60.686 flat angles P-C4'-P energy: -35.468 tors. eta vs tors. theta energy: -36.570 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: 7 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -456.151972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.151972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.151972 (E_RNA) where: Base-Base interactions energy: -264.460 where: short stacking energy: -148.447 Base-Backbone interact. energy: 3.425 local terms energy: -195.117035 where: bonds (distance) C4'-P energy: -41.721 bonds (distance) P-C4' energy: -49.771 flat angles C4'-P-C4' energy: -54.930 flat angles P-C4'-P energy: -29.054 tors. eta vs tors. theta energy: -19.641 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: 80 Temperature: 1.350000 Total energy: -373.310700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.310700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.310700 (E_RNA) where: Base-Base interactions energy: -166.449 where: short stacking energy: -101.255 Base-Backbone interact. energy: -1.423 local terms energy: -205.438831 where: bonds (distance) C4'-P energy: -60.741 bonds (distance) P-C4' energy: -53.713 flat angles C4'-P-C4' energy: -43.331 flat angles P-C4'-P energy: -35.623 tors. eta vs tors. theta energy: -12.032 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: 6 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1111.970011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.970011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.970011 (E_RNA) where: Base-Base interactions energy: -765.791 where: short stacking energy: -320.550 Base-Backbone interact. energy: -0.477 local terms energy: -345.702546 where: bonds (distance) C4'-P energy: -58.279 bonds (distance) P-C4' energy: -66.784 flat angles C4'-P-C4' energy: -73.344 flat angles P-C4'-P energy: -55.584 tors. eta vs tors. theta energy: -91.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1038.212546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.212546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.212546 (E_RNA) where: Base-Base interactions energy: -687.488 where: short stacking energy: -301.864 Base-Backbone interact. energy: -2.370 local terms energy: -348.353609 where: bonds (distance) C4'-P energy: -66.491 bonds (distance) P-C4' energy: -67.439 flat angles C4'-P-C4' energy: -73.053 flat angles P-C4'-P energy: -55.608 tors. eta vs tors. theta energy: -85.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -998.006319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.006319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.006319 (E_RNA) where: Base-Base interactions energy: -682.520 where: short stacking energy: -281.389 Base-Backbone interact. energy: -0.542 local terms energy: -314.943621 where: bonds (distance) C4'-P energy: -67.617 bonds (distance) P-C4' energy: -71.119 flat angles C4'-P-C4' energy: -62.925 flat angles P-C4'-P energy: -41.352 tors. eta vs tors. theta energy: -71.930 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: 4, replica: 3 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -999.256532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.256532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.256532 (E_RNA) where: Base-Base interactions energy: -676.843 where: short stacking energy: -304.999 Base-Backbone interact. energy: -1.220 local terms energy: -321.194102 where: bonds (distance) C4'-P energy: -55.959 bonds (distance) P-C4' energy: -57.142 flat angles C4'-P-C4' energy: -70.125 flat angles P-C4'-P energy: -48.935 tors. eta vs tors. theta energy: -89.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -859.208259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.208259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.208259 (E_RNA) where: Base-Base interactions energy: -567.051 where: short stacking energy: -252.522 Base-Backbone interact. energy: 0.725 local terms energy: -292.882049 where: bonds (distance) C4'-P energy: -60.205 bonds (distance) P-C4' energy: -59.686 flat angles C4'-P-C4' energy: -57.439 flat angles P-C4'-P energy: -49.248 tors. eta vs tors. theta energy: -66.304 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: 1 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -831.008177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.008177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.008177 (E_RNA) where: Base-Base interactions energy: -566.247 where: short stacking energy: -236.203 Base-Backbone interact. energy: -2.873 local terms energy: -261.887917 where: bonds (distance) C4'-P energy: -50.005 bonds (distance) P-C4' energy: -52.734 flat angles C4'-P-C4' energy: -62.117 flat angles P-C4'-P energy: -34.521 tors. eta vs tors. theta energy: -62.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -684.305116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.305116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.305116 (E_RNA) where: Base-Base interactions energy: -428.979 where: short stacking energy: -204.332 Base-Backbone interact. energy: -1.393 local terms energy: -253.932850 where: bonds (distance) C4'-P energy: -46.409 bonds (distance) P-C4' energy: -50.424 flat angles C4'-P-C4' energy: -66.262 flat angles P-C4'-P energy: -38.614 tors. eta vs tors. theta energy: -52.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -629.487971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.487971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.487971 (E_RNA) where: Base-Base interactions energy: -397.595 where: short stacking energy: -197.716 Base-Backbone interact. energy: -0.783 local terms energy: -231.109514 where: bonds (distance) C4'-P energy: -44.496 bonds (distance) P-C4' energy: -53.211 flat angles C4'-P-C4' energy: -54.348 flat angles P-C4'-P energy: -40.023 tors. eta vs tors. theta energy: -39.032 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: 7 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -376.958976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.958976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.958976 (E_RNA) where: Base-Base interactions energy: -196.717 where: short stacking energy: -133.612 Base-Backbone interact. energy: 1.134 local terms energy: -181.375984 where: bonds (distance) C4'-P energy: -62.294 bonds (distance) P-C4' energy: -41.746 flat angles C4'-P-C4' energy: -49.135 flat angles P-C4'-P energy: -25.976 tors. eta vs tors. theta energy: -2.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -340.850378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.850378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.850378 (E_RNA) where: Base-Base interactions energy: -189.646 where: short stacking energy: -120.242 Base-Backbone interact. energy: 2.969 local terms energy: -154.172978 where: bonds (distance) C4'-P energy: -22.861 bonds (distance) P-C4' energy: -61.477 flat angles C4'-P-C4' energy: -37.723 flat angles P-C4'-P energy: -30.404 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: 1, replica: 6 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1108.317643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.317643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.317643 (E_RNA) where: Base-Base interactions energy: -758.781 where: short stacking energy: -324.424 Base-Backbone interact. energy: -0.465 local terms energy: -349.071866 where: bonds (distance) C4'-P energy: -62.508 bonds (distance) P-C4' energy: -61.773 flat angles C4'-P-C4' energy: -76.252 flat angles P-C4'-P energy: -49.200 tors. eta vs tors. theta energy: -99.340 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: 5 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1029.456677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.456677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.456677 (E_RNA) where: Base-Base interactions energy: -691.555 where: short stacking energy: -300.814 Base-Backbone interact. energy: -1.990 local terms energy: -335.912036 where: bonds (distance) C4'-P energy: -61.192 bonds (distance) P-C4' energy: -65.435 flat angles C4'-P-C4' energy: -65.301 flat angles P-C4'-P energy: -52.888 tors. eta vs tors. theta energy: -91.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1007.351971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.351971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.351971 (E_RNA) where: Base-Base interactions energy: -685.175 where: short stacking energy: -310.298 Base-Backbone interact. energy: -0.876 local terms energy: -321.300207 where: bonds (distance) C4'-P energy: -51.876 bonds (distance) P-C4' energy: -57.235 flat angles C4'-P-C4' energy: -76.826 flat angles P-C4'-P energy: -43.965 tors. eta vs tors. theta energy: -91.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -956.224213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.224213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.224213 (E_RNA) where: Base-Base interactions energy: -653.911 where: short stacking energy: -276.406 Base-Backbone interact. energy: -0.562 local terms energy: -301.751365 where: bonds (distance) C4'-P energy: -61.043 bonds (distance) P-C4' energy: -54.005 flat angles C4'-P-C4' energy: -65.945 flat angles P-C4'-P energy: -43.892 tors. eta vs tors. theta energy: -76.867 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: 8 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -860.692517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.692517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.692517 (E_RNA) where: Base-Base interactions energy: -581.180 where: short stacking energy: -248.614 Base-Backbone interact. energy: -0.995 local terms energy: -278.517382 where: bonds (distance) C4'-P energy: -50.681 bonds (distance) P-C4' energy: -66.780 flat angles C4'-P-C4' energy: -57.987 flat angles P-C4'-P energy: -39.692 tors. eta vs tors. theta energy: -63.377 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: 1 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -846.821300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.821300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.821300 (E_RNA) where: Base-Base interactions energy: -568.680 where: short stacking energy: -237.147 Base-Backbone interact. energy: -2.141 local terms energy: -275.999413 where: bonds (distance) C4'-P energy: -58.813 bonds (distance) P-C4' energy: -60.821 flat angles C4'-P-C4' energy: -63.906 flat angles P-C4'-P energy: -36.864 tors. eta vs tors. theta energy: -55.597 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: 9 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -700.396451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.396451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.396451 (E_RNA) where: Base-Base interactions energy: -440.333 where: short stacking energy: -202.769 Base-Backbone interact. energy: -0.593 local terms energy: -259.470676 where: bonds (distance) C4'-P energy: -57.314 bonds (distance) P-C4' energy: -64.486 flat angles C4'-P-C4' energy: -58.417 flat angles P-C4'-P energy: -36.443 tors. eta vs tors. theta energy: -42.811 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: 2 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -642.817215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.817215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.817215 (E_RNA) where: Base-Base interactions energy: -428.996 where: short stacking energy: -208.670 Base-Backbone interact. energy: 2.595 local terms energy: -216.416934 where: bonds (distance) C4'-P energy: -34.367 bonds (distance) P-C4' energy: -43.707 flat angles C4'-P-C4' energy: -52.095 flat angles P-C4'-P energy: -47.368 tors. eta vs tors. theta energy: -38.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -400.147739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.147739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.147739 (E_RNA) where: Base-Base interactions energy: -214.967 where: short stacking energy: -107.592 Base-Backbone interact. energy: -0.734 local terms energy: -184.446793 where: bonds (distance) C4'-P energy: -54.181 bonds (distance) P-C4' energy: -50.662 flat angles C4'-P-C4' energy: -33.656 flat angles P-C4'-P energy: -43.637 tors. eta vs tors. theta energy: -2.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -350.693531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.693531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.693531 (E_RNA) where: Base-Base interactions energy: -167.438 where: short stacking energy: -101.834 Base-Backbone interact. energy: -0.808 local terms energy: -182.447724 where: bonds (distance) C4'-P energy: -48.077 bonds (distance) P-C4' energy: -54.148 flat angles C4'-P-C4' energy: -43.901 flat angles P-C4'-P energy: -26.171 tors. eta vs tors. theta energy: -10.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1104.285048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.285048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.285048 (E_RNA) where: Base-Base interactions energy: -757.952 where: short stacking energy: -315.102 Base-Backbone interact. energy: -0.626 local terms energy: -345.706459 where: bonds (distance) C4'-P energy: -63.028 bonds (distance) P-C4' energy: -73.165 flat angles C4'-P-C4' energy: -68.217 flat angles P-C4'-P energy: -46.834 tors. eta vs tors. theta energy: -94.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1033.388424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.388424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.388424 (E_RNA) where: Base-Base interactions energy: -692.921 where: short stacking energy: -317.833 Base-Backbone interact. energy: -0.035 local terms energy: -340.432980 where: bonds (distance) C4'-P energy: -63.177 bonds (distance) P-C4' energy: -58.341 flat angles C4'-P-C4' energy: -72.519 flat angles P-C4'-P energy: -48.535 tors. eta vs tors. theta energy: -97.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1019.089188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.089188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.089188 (E_RNA) where: Base-Base interactions energy: -696.129 where: short stacking energy: -315.728 Base-Backbone interact. energy: -0.710 local terms energy: -322.249989 where: bonds (distance) C4'-P energy: -68.045 bonds (distance) P-C4' energy: -55.847 flat angles C4'-P-C4' energy: -67.491 flat angles P-C4'-P energy: -46.537 tors. eta vs tors. theta energy: -84.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -949.906306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.906306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.906306 (E_RNA) where: Base-Base interactions energy: -634.731 where: short stacking energy: -286.083 Base-Backbone interact. energy: 0.563 local terms energy: -315.738430 where: bonds (distance) C4'-P energy: -64.761 bonds (distance) P-C4' energy: -66.515 flat angles C4'-P-C4' energy: -62.391 flat angles P-C4'-P energy: -42.629 tors. eta vs tors. theta energy: -79.443 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: 8 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -861.875936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.875936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.875936 (E_RNA) where: Base-Base interactions energy: -578.206 where: short stacking energy: -221.367 Base-Backbone interact. energy: -1.303 local terms energy: -282.366981 where: bonds (distance) C4'-P energy: -60.089 bonds (distance) P-C4' energy: -62.799 flat angles C4'-P-C4' energy: -67.166 flat angles P-C4'-P energy: -46.697 tors. eta vs tors. theta energy: -45.617 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: 1 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -841.246734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.246734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.246734 (E_RNA) where: Base-Base interactions energy: -565.674 where: short stacking energy: -232.932 Base-Backbone interact. energy: -0.906 local terms energy: -274.667593 where: bonds (distance) C4'-P energy: -57.966 bonds (distance) P-C4' energy: -55.920 flat angles C4'-P-C4' energy: -65.514 flat angles P-C4'-P energy: -34.681 tors. eta vs tors. theta energy: -60.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -676.445984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.445984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.445984 (E_RNA) where: Base-Base interactions energy: -423.541 where: short stacking energy: -178.274 Base-Backbone interact. energy: -0.444 local terms energy: -252.460597 where: bonds (distance) C4'-P energy: -56.098 bonds (distance) P-C4' energy: -60.308 flat angles C4'-P-C4' energy: -63.372 flat angles P-C4'-P energy: -41.792 tors. eta vs tors. theta energy: -30.890 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: 2 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -649.497255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.497255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.497255 (E_RNA) where: Base-Base interactions energy: -395.631 where: short stacking energy: -185.094 Base-Backbone interact. energy: 3.362 local terms energy: -257.228163 where: bonds (distance) C4'-P energy: -60.800 bonds (distance) P-C4' energy: -65.543 flat angles C4'-P-C4' energy: -58.331 flat angles P-C4'-P energy: -35.930 tors. eta vs tors. theta energy: -36.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -385.126689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.126689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.126689 (E_RNA) where: Base-Base interactions energy: -184.652 where: short stacking energy: -111.104 Base-Backbone interact. energy: 3.192 local terms energy: -203.666304 where: bonds (distance) C4'-P energy: -51.582 bonds (distance) P-C4' energy: -64.178 flat angles C4'-P-C4' energy: -47.651 flat angles P-C4'-P energy: -31.470 tors. eta vs tors. theta energy: -8.786 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: 4 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -357.620345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.620345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.620345 (E_RNA) where: Base-Base interactions energy: -162.658 where: short stacking energy: -108.126 Base-Backbone interact. energy: 0.508 local terms energy: -195.470362 where: bonds (distance) C4'-P energy: -52.742 bonds (distance) P-C4' energy: -56.510 flat angles C4'-P-C4' energy: -52.702 flat angles P-C4'-P energy: -31.338 tors. eta vs tors. theta energy: -2.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1103.459626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.459626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.459626 (E_RNA) where: Base-Base interactions energy: -757.698 where: short stacking energy: -333.342 Base-Backbone interact. energy: -0.721 local terms energy: -345.040747 where: bonds (distance) C4'-P energy: -54.822 bonds (distance) P-C4' energy: -67.072 flat angles C4'-P-C4' energy: -74.732 flat angles P-C4'-P energy: -47.275 tors. eta vs tors. theta energy: -101.140 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: 3 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1042.864670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.864670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.864670 (E_RNA) where: Base-Base interactions energy: -699.865 where: short stacking energy: -326.339 Base-Backbone interact. energy: -2.244 local terms energy: -340.755431 where: bonds (distance) C4'-P energy: -67.545 bonds (distance) P-C4' energy: -57.860 flat angles C4'-P-C4' energy: -74.432 flat angles P-C4'-P energy: -51.050 tors. eta vs tors. theta energy: -89.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -999.902566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.902566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.902566 (E_RNA) where: Base-Base interactions energy: -664.516 where: short stacking energy: -297.867 Base-Backbone interact. energy: -0.921 local terms energy: -334.465366 where: bonds (distance) C4'-P energy: -58.686 bonds (distance) P-C4' energy: -66.978 flat angles C4'-P-C4' energy: -73.990 flat angles P-C4'-P energy: -50.218 tors. eta vs tors. theta energy: -84.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -990.403815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.403815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.403815 (E_RNA) where: Base-Base interactions energy: -670.024 where: short stacking energy: -296.962 Base-Backbone interact. energy: -1.573 local terms energy: -318.807352 where: bonds (distance) C4'-P energy: -58.645 bonds (distance) P-C4' energy: -66.059 flat angles C4'-P-C4' energy: -65.304 flat angles P-C4'-P energy: -44.538 tors. eta vs tors. theta energy: -84.260 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: 5, replica: 8 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -913.325966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.325966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.325966 (E_RNA) where: Base-Base interactions energy: -608.267 where: short stacking energy: -244.266 Base-Backbone interact. energy: -1.758 local terms energy: -303.301223 where: bonds (distance) C4'-P energy: -63.630 bonds (distance) P-C4' energy: -66.925 flat angles C4'-P-C4' energy: -62.186 flat angles P-C4'-P energy: -50.427 tors. eta vs tors. theta energy: -60.134 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: 1 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -832.239522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.239522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.239522 (E_RNA) where: Base-Base interactions energy: -569.287 where: short stacking energy: -235.057 Base-Backbone interact. energy: 0.887 local terms energy: -263.840036 where: bonds (distance) C4'-P energy: -62.398 bonds (distance) P-C4' energy: -64.755 flat angles C4'-P-C4' energy: -58.998 flat angles P-C4'-P energy: -33.507 tors. eta vs tors. theta energy: -44.183 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: 7, replica: 2 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -684.134981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.134981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.134981 (E_RNA) where: Base-Base interactions energy: -429.713 where: short stacking energy: -207.658 Base-Backbone interact. energy: -0.856 local terms energy: -253.566725 where: bonds (distance) C4'-P energy: -58.116 bonds (distance) P-C4' energy: -56.869 flat angles C4'-P-C4' energy: -57.155 flat angles P-C4'-P energy: -40.308 tors. eta vs tors. theta energy: -41.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -659.387753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.387753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.387753 (E_RNA) where: Base-Base interactions energy: -410.944 where: short stacking energy: -197.084 Base-Backbone interact. energy: -1.402 local terms energy: -247.041523 where: bonds (distance) C4'-P energy: -54.299 bonds (distance) P-C4' energy: -59.872 flat angles C4'-P-C4' energy: -52.356 flat angles P-C4'-P energy: -45.601 tors. eta vs tors. theta energy: -34.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -362.555597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.555597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.555597 (E_RNA) where: Base-Base interactions energy: -171.861 where: short stacking energy: -100.467 Base-Backbone interact. energy: -2.300 local terms energy: -188.393940 where: bonds (distance) C4'-P energy: -46.942 bonds (distance) P-C4' energy: -49.244 flat angles C4'-P-C4' energy: -52.167 flat angles P-C4'-P energy: -40.901 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: 10, replica: 7 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -375.358905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.358905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.358905 (E_RNA) where: Base-Base interactions energy: -188.801 where: short stacking energy: -121.402 Base-Backbone interact. energy: 2.498 local terms energy: -189.055328 where: bonds (distance) C4'-P energy: -43.435 bonds (distance) P-C4' energy: -63.485 flat angles C4'-P-C4' energy: -44.600 flat angles P-C4'-P energy: -27.813 tors. eta vs tors. theta energy: -9.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1105.827299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.827299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.827299 (E_RNA) where: Base-Base interactions energy: -762.442 where: short stacking energy: -323.919 Base-Backbone interact. energy: 0.136 local terms energy: -343.521190 where: bonds (distance) C4'-P energy: -63.663 bonds (distance) P-C4' energy: -58.425 flat angles C4'-P-C4' energy: -73.656 flat angles P-C4'-P energy: -50.056 tors. eta vs tors. theta energy: -97.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1046.490894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.490894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.490894 (E_RNA) where: Base-Base interactions energy: -705.659 where: short stacking energy: -306.259 Base-Backbone interact. energy: 0.919 local terms energy: -341.751198 where: bonds (distance) C4'-P energy: -68.961 bonds (distance) P-C4' energy: -61.656 flat angles C4'-P-C4' energy: -65.022 flat angles P-C4'-P energy: -55.670 tors. eta vs tors. theta energy: -90.442 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: 10 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -984.338743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.338743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.338743 (E_RNA) where: Base-Base interactions energy: -661.420 where: short stacking energy: -279.173 Base-Backbone interact. energy: -1.745 local terms energy: -321.173919 where: bonds (distance) C4'-P energy: -58.732 bonds (distance) P-C4' energy: -70.037 flat angles C4'-P-C4' energy: -66.657 flat angles P-C4'-P energy: -47.376 tors. eta vs tors. theta energy: -78.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -994.054607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.054607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.054607 (E_RNA) where: Base-Base interactions energy: -672.749 where: short stacking energy: -304.828 Base-Backbone interact. energy: -0.711 local terms energy: -320.593995 where: bonds (distance) C4'-P energy: -58.251 bonds (distance) P-C4' energy: -67.137 flat angles C4'-P-C4' energy: -69.229 flat angles P-C4'-P energy: -45.326 tors. eta vs tors. theta energy: -80.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -894.853268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.853268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.853268 (E_RNA) where: Base-Base interactions energy: -601.500 where: short stacking energy: -248.970 Base-Backbone interact. energy: -2.657 local terms energy: -290.696277 where: bonds (distance) C4'-P energy: -58.238 bonds (distance) P-C4' energy: -55.914 flat angles C4'-P-C4' energy: -68.952 flat angles P-C4'-P energy: -48.686 tors. eta vs tors. theta energy: -58.906 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: 1 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -772.684069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.684069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.684069 (E_RNA) where: Base-Base interactions energy: -516.159 where: short stacking energy: -230.713 Base-Backbone interact. energy: -2.232 local terms energy: -254.293607 where: bonds (distance) C4'-P energy: -55.156 bonds (distance) P-C4' energy: -49.843 flat angles C4'-P-C4' energy: -54.742 flat angles P-C4'-P energy: -40.727 tors. eta vs tors. theta energy: -53.826 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: 2 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -653.485552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.485552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.485552 (E_RNA) where: Base-Base interactions energy: -409.308 where: short stacking energy: -200.204 Base-Backbone interact. energy: -1.980 local terms energy: -242.197366 where: bonds (distance) C4'-P energy: -56.668 bonds (distance) P-C4' energy: -49.906 flat angles C4'-P-C4' energy: -60.148 flat angles P-C4'-P energy: -25.089 tors. eta vs tors. theta energy: -50.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -625.178980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.178980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.178980 (E_RNA) where: Base-Base interactions energy: -387.390 where: short stacking energy: -173.406 Base-Backbone interact. energy: -1.232 local terms energy: -236.557176 where: bonds (distance) C4'-P energy: -45.550 bonds (distance) P-C4' energy: -59.726 flat angles C4'-P-C4' energy: -48.774 flat angles P-C4'-P energy: -44.892 tors. eta vs tors. theta energy: -37.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -351.380996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.380996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.380996 (E_RNA) where: Base-Base interactions energy: -176.283 where: short stacking energy: -112.592 Base-Backbone interact. energy: 0.886 local terms energy: -175.983667 where: bonds (distance) C4'-P energy: -47.458 bonds (distance) P-C4' energy: -52.665 flat angles C4'-P-C4' energy: -49.661 flat angles P-C4'-P energy: -22.648 tors. eta vs tors. theta energy: -3.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -370.948883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.948883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.948883 (E_RNA) where: Base-Base interactions energy: -180.464 where: short stacking energy: -114.399 Base-Backbone interact. energy: 1.312 local terms energy: -191.796108 where: bonds (distance) C4'-P energy: -55.720 bonds (distance) P-C4' energy: -55.465 flat angles C4'-P-C4' energy: -53.880 flat angles P-C4'-P energy: -33.003 tors. eta vs tors. theta energy: 6.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1107.927838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.927838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.927838 (E_RNA) where: Base-Base interactions energy: -758.606 where: short stacking energy: -336.285 Base-Backbone interact. energy: -1.457 local terms energy: -347.864779 where: bonds (distance) C4'-P energy: -67.043 bonds (distance) P-C4' energy: -62.227 flat angles C4'-P-C4' energy: -75.181 flat angles P-C4'-P energy: -45.370 tors. eta vs tors. theta energy: -98.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1052.704780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.704780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.704780 (E_RNA) where: Base-Base interactions energy: -701.950 where: short stacking energy: -323.184 Base-Backbone interact. energy: -1.816 local terms energy: -348.938618 where: bonds (distance) C4'-P energy: -57.750 bonds (distance) P-C4' energy: -69.151 flat angles C4'-P-C4' energy: -75.823 flat angles P-C4'-P energy: -41.572 tors. eta vs tors. theta energy: -104.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -973.150078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.150078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.150078 (E_RNA) where: Base-Base interactions energy: -674.214 where: short stacking energy: -296.549 Base-Backbone interact. energy: -0.645 local terms energy: -298.291436 where: bonds (distance) C4'-P energy: -62.868 bonds (distance) P-C4' energy: -54.156 flat angles C4'-P-C4' energy: -68.246 flat angles P-C4'-P energy: -34.102 tors. eta vs tors. theta energy: -78.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -977.421134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.421134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.421134 (E_RNA) where: Base-Base interactions energy: -654.133 where: short stacking energy: -303.438 Base-Backbone interact. energy: 1.008 local terms energy: -324.295970 where: bonds (distance) C4'-P energy: -62.867 bonds (distance) P-C4' energy: -64.715 flat angles C4'-P-C4' energy: -67.745 flat angles P-C4'-P energy: -40.806 tors. eta vs tors. theta energy: -88.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -866.817770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.817770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.817770 (E_RNA) where: Base-Base interactions energy: -568.017 where: short stacking energy: -254.509 Base-Backbone interact. energy: -1.267 local terms energy: -297.533528 where: bonds (distance) C4'-P energy: -69.689 bonds (distance) P-C4' energy: -57.513 flat angles C4'-P-C4' energy: -75.166 flat angles P-C4'-P energy: -31.478 tors. eta vs tors. theta energy: -63.688 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: 86 Temperature: 1.150000 Total energy: -831.866462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.866462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.866462 (E_RNA) where: Base-Base interactions energy: -573.975 where: short stacking energy: -239.663 Base-Backbone interact. energy: 1.322 local terms energy: -259.212659 where: bonds (distance) C4'-P energy: -57.275 bonds (distance) P-C4' energy: -61.433 flat angles C4'-P-C4' energy: -50.289 flat angles P-C4'-P energy: -35.465 tors. eta vs tors. theta energy: -54.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -689.510814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.510814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.510814 (E_RNA) where: Base-Base interactions energy: -450.228 where: short stacking energy: -226.243 Base-Backbone interact. energy: -0.970 local terms energy: -238.313005 where: bonds (distance) C4'-P energy: -39.699 bonds (distance) P-C4' energy: -46.996 flat angles C4'-P-C4' energy: -65.705 flat angles P-C4'-P energy: -36.919 tors. eta vs tors. theta energy: -48.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -658.683270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.683270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.683270 (E_RNA) where: Base-Base interactions energy: -413.083 where: short stacking energy: -200.474 Base-Backbone interact. energy: -3.297 local terms energy: -242.304074 where: bonds (distance) C4'-P energy: -45.298 bonds (distance) P-C4' energy: -67.025 flat angles C4'-P-C4' energy: -49.924 flat angles P-C4'-P energy: -34.905 tors. eta vs tors. theta energy: -45.152 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: 4 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -434.659141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.659141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.659141 (E_RNA) where: Base-Base interactions energy: -229.671 where: short stacking energy: -140.133 Base-Backbone interact. energy: -0.689 local terms energy: -204.299267 where: bonds (distance) C4'-P energy: -49.110 bonds (distance) P-C4' energy: -61.565 flat angles C4'-P-C4' energy: -51.400 flat angles P-C4'-P energy: -29.069 tors. eta vs tors. theta energy: -13.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -315.892687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.892687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.892687 (E_RNA) where: Base-Base interactions energy: -139.376 where: short stacking energy: -85.167 Base-Backbone interact. energy: 4.550 local terms energy: -181.065993 where: bonds (distance) C4'-P energy: -45.848 bonds (distance) P-C4' energy: -58.063 flat angles C4'-P-C4' energy: -50.120 flat angles P-C4'-P energy: -37.896 tors. eta vs tors. theta energy: 10.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1128.787886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.787886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.787886 (E_RNA) where: Base-Base interactions energy: -778.475 where: short stacking energy: -340.220 Base-Backbone interact. energy: -0.526 local terms energy: -349.786903 where: bonds (distance) C4'-P energy: -62.468 bonds (distance) P-C4' energy: -69.110 flat angles C4'-P-C4' energy: -64.167 flat angles P-C4'-P energy: -54.410 tors. eta vs tors. theta energy: -99.632 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: 3 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1035.826755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.826755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.826755 (E_RNA) where: Base-Base interactions energy: -698.478 where: short stacking energy: -310.916 Base-Backbone interact. energy: -1.526 local terms energy: -335.822101 where: bonds (distance) C4'-P energy: -57.069 bonds (distance) P-C4' energy: -67.648 flat angles C4'-P-C4' energy: -72.376 flat angles P-C4'-P energy: -47.632 tors. eta vs tors. theta energy: -91.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -994.345082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.345082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.345082 (E_RNA) where: Base-Base interactions energy: -683.944 where: short stacking energy: -280.943 Base-Backbone interact. energy: -2.225 local terms energy: -308.176390 where: bonds (distance) C4'-P energy: -59.791 bonds (distance) P-C4' energy: -62.700 flat angles C4'-P-C4' energy: -71.893 flat angles P-C4'-P energy: -43.371 tors. eta vs tors. theta energy: -70.421 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: 4, replica: 5 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -975.286531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.286531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.286531 (E_RNA) where: Base-Base interactions energy: -654.239 where: short stacking energy: -297.605 Base-Backbone interact. energy: 2.289 local terms energy: -323.337019 where: bonds (distance) C4'-P energy: -56.629 bonds (distance) P-C4' energy: -63.528 flat angles C4'-P-C4' energy: -74.650 flat angles P-C4'-P energy: -47.896 tors. eta vs tors. theta energy: -80.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -876.331397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.331397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.331397 (E_RNA) where: Base-Base interactions energy: -603.515 where: short stacking energy: -265.264 Base-Backbone interact. energy: -0.531 local terms energy: -272.285692 where: bonds (distance) C4'-P energy: -51.929 bonds (distance) P-C4' energy: -62.840 flat angles C4'-P-C4' energy: -58.092 flat angles P-C4'-P energy: -40.950 tors. eta vs tors. theta energy: -58.476 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: 1 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -837.874713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.874713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.874713 (E_RNA) where: Base-Base interactions energy: -584.079 where: short stacking energy: -251.709 Base-Backbone interact. energy: 0.620 local terms energy: -254.415844 where: bonds (distance) C4'-P energy: -40.137 bonds (distance) P-C4' energy: -60.742 flat angles C4'-P-C4' energy: -53.790 flat angles P-C4'-P energy: -34.648 tors. eta vs tors. theta energy: -65.099 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: 2 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -708.883851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.883851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.883851 (E_RNA) where: Base-Base interactions energy: -461.685 where: short stacking energy: -214.481 Base-Backbone interact. energy: 0.372 local terms energy: -247.571147 where: bonds (distance) C4'-P energy: -44.496 bonds (distance) P-C4' energy: -60.637 flat angles C4'-P-C4' energy: -60.821 flat angles P-C4'-P energy: -31.343 tors. eta vs tors. theta energy: -50.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -648.100562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.100562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.100562 (E_RNA) where: Base-Base interactions energy: -418.158 where: short stacking energy: -176.681 Base-Backbone interact. energy: -1.383 local terms energy: -228.559235 where: bonds (distance) C4'-P energy: -65.554 bonds (distance) P-C4' energy: -53.061 flat angles C4'-P-C4' energy: -56.808 flat angles P-C4'-P energy: -23.033 tors. eta vs tors. theta energy: -30.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -430.877959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.877959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.877959 (E_RNA) where: Base-Base interactions energy: -225.354 where: short stacking energy: -115.583 Base-Backbone interact. energy: -0.821 local terms energy: -204.703349 where: bonds (distance) C4'-P energy: -65.283 bonds (distance) P-C4' energy: -53.998 flat angles C4'-P-C4' energy: -55.078 flat angles P-C4'-P energy: -36.375 tors. eta vs tors. theta energy: 6.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -368.285598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.285598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.285598 (E_RNA) where: Base-Base interactions energy: -200.572 where: short stacking energy: -105.430 Base-Backbone interact. energy: -1.456 local terms energy: -166.257564 where: bonds (distance) C4'-P energy: -38.056 bonds (distance) P-C4' energy: -46.377 flat angles C4'-P-C4' energy: -50.856 flat angles P-C4'-P energy: -27.942 tors. eta vs tors. theta energy: -3.026 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: 6 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1131.874704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.874704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.874704 (E_RNA) where: Base-Base interactions energy: -792.720 where: short stacking energy: -334.774 Base-Backbone interact. energy: -1.055 local terms energy: -338.099650 where: bonds (distance) C4'-P energy: -64.466 bonds (distance) P-C4' energy: -54.973 flat angles C4'-P-C4' energy: -74.145 flat angles P-C4'-P energy: -48.958 tors. eta vs tors. theta energy: -95.558 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: 3 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1057.212399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.212399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.212399 (E_RNA) where: Base-Base interactions energy: -713.493 where: short stacking energy: -332.178 Base-Backbone interact. energy: -0.301 local terms energy: -343.418136 where: bonds (distance) C4'-P energy: -67.253 bonds (distance) P-C4' energy: -60.323 flat angles C4'-P-C4' energy: -72.034 flat angles P-C4'-P energy: -43.631 tors. eta vs tors. theta energy: -100.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1013.273403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.273403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.273403 (E_RNA) where: Base-Base interactions energy: -717.351 where: short stacking energy: -296.976 Base-Backbone interact. energy: 2.119 local terms energy: -298.041482 where: bonds (distance) C4'-P energy: -47.976 bonds (distance) P-C4' energy: -58.388 flat angles C4'-P-C4' energy: -67.492 flat angles P-C4'-P energy: -37.519 tors. eta vs tors. theta energy: -86.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -984.246838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.246838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.246838 (E_RNA) where: Base-Base interactions energy: -690.001 where: short stacking energy: -295.845 Base-Backbone interact. energy: -2.314 local terms energy: -291.932470 where: bonds (distance) C4'-P energy: -46.832 bonds (distance) P-C4' energy: -63.952 flat angles C4'-P-C4' energy: -69.730 flat angles P-C4'-P energy: -36.740 tors. eta vs tors. theta energy: -74.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -834.897834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.897834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.897834 (E_RNA) where: Base-Base interactions energy: -550.104 where: short stacking energy: -243.320 Base-Backbone interact. energy: 0.399 local terms energy: -285.192043 where: bonds (distance) C4'-P energy: -59.423 bonds (distance) P-C4' energy: -62.249 flat angles C4'-P-C4' energy: -65.920 flat angles P-C4'-P energy: -34.686 tors. eta vs tors. theta energy: -62.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -849.891892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.891892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.891892 (E_RNA) where: Base-Base interactions energy: -594.056 where: short stacking energy: -254.110 Base-Backbone interact. energy: -1.073 local terms energy: -254.762700 where: bonds (distance) C4'-P energy: -57.802 bonds (distance) P-C4' energy: -41.612 flat angles C4'-P-C4' energy: -49.307 flat angles P-C4'-P energy: -37.903 tors. eta vs tors. theta energy: -68.138 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: 7, replica: 2 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -734.038275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.038275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.038275 (E_RNA) where: Base-Base interactions energy: -476.921 where: short stacking energy: -204.644 Base-Backbone interact. energy: -1.082 local terms energy: -256.035159 where: bonds (distance) C4'-P energy: -55.392 bonds (distance) P-C4' energy: -56.342 flat angles C4'-P-C4' energy: -60.258 flat angles P-C4'-P energy: -37.451 tors. eta vs tors. theta energy: -46.592 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: 9 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -657.481907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.481907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.481907 (E_RNA) where: Base-Base interactions energy: -396.249 where: short stacking energy: -184.819 Base-Backbone interact. energy: -1.163 local terms energy: -260.069723 where: bonds (distance) C4'-P energy: -61.245 bonds (distance) P-C4' energy: -69.896 flat angles C4'-P-C4' energy: -57.053 flat angles P-C4'-P energy: -30.097 tors. eta vs tors. theta energy: -41.779 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: 4 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -451.038969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.038969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.038969 (E_RNA) where: Base-Base interactions energy: -254.200 where: short stacking energy: -131.290 Base-Backbone interact. energy: -0.312 local terms energy: -196.526596 where: bonds (distance) C4'-P energy: -52.819 bonds (distance) P-C4' energy: -36.748 flat angles C4'-P-C4' energy: -54.415 flat angles P-C4'-P energy: -34.545 tors. eta vs tors. theta energy: -17.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -385.737137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.737137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.737137 (E_RNA) where: Base-Base interactions energy: -176.677 where: short stacking energy: -105.330 Base-Backbone interact. energy: -1.198 local terms energy: -207.862393 where: bonds (distance) C4'-P energy: -63.842 bonds (distance) P-C4' energy: -55.111 flat angles C4'-P-C4' energy: -46.403 flat angles P-C4'-P energy: -35.809 tors. eta vs tors. theta energy: -6.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1131.243272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.243272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.243272 (E_RNA) where: Base-Base interactions energy: -782.175 where: short stacking energy: -327.438 Base-Backbone interact. energy: -0.847 local terms energy: -348.221239 where: bonds (distance) C4'-P energy: -64.275 bonds (distance) P-C4' energy: -64.278 flat angles C4'-P-C4' energy: -75.502 flat angles P-C4'-P energy: -52.989 tors. eta vs tors. theta energy: -91.177 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: 3 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1055.242738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.242738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.242738 (E_RNA) where: Base-Base interactions energy: -712.833 where: short stacking energy: -328.473 Base-Backbone interact. energy: -2.512 local terms energy: -339.897484 where: bonds (distance) C4'-P energy: -58.960 bonds (distance) P-C4' energy: -57.480 flat angles C4'-P-C4' energy: -74.306 flat angles P-C4'-P energy: -47.545 tors. eta vs tors. theta energy: -101.606 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: 10 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -995.283198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.283198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.283198 (E_RNA) where: Base-Base interactions energy: -690.017 where: short stacking energy: -292.864 Base-Backbone interact. energy: -0.475 local terms energy: -304.791126 where: bonds (distance) C4'-P energy: -61.564 bonds (distance) P-C4' energy: -56.804 flat angles C4'-P-C4' energy: -66.414 flat angles P-C4'-P energy: -41.090 tors. eta vs tors. theta energy: -78.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -967.479286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.479286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.479286 (E_RNA) where: Base-Base interactions energy: -646.297 where: short stacking energy: -281.760 Base-Backbone interact. energy: -1.329 local terms energy: -319.852493 where: bonds (distance) C4'-P energy: -61.643 bonds (distance) P-C4' energy: -60.799 flat angles C4'-P-C4' energy: -70.480 flat angles P-C4'-P energy: -47.465 tors. eta vs tors. theta energy: -79.465 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: 1 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -836.858920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.858920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.858920 (E_RNA) where: Base-Base interactions energy: -575.810 where: short stacking energy: -234.508 Base-Backbone interact. energy: -2.545 local terms energy: -258.504114 where: bonds (distance) C4'-P energy: -59.432 bonds (distance) P-C4' energy: -50.107 flat angles C4'-P-C4' energy: -61.830 flat angles P-C4'-P energy: -32.849 tors. eta vs tors. theta energy: -54.286 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: 8 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -843.263743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.263743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.263743 (E_RNA) where: Base-Base interactions energy: -560.190 where: short stacking energy: -227.202 Base-Backbone interact. energy: -2.598 local terms energy: -280.475519 where: bonds (distance) C4'-P energy: -48.464 bonds (distance) P-C4' energy: -68.980 flat angles C4'-P-C4' energy: -69.685 flat angles P-C4'-P energy: -38.807 tors. eta vs tors. theta energy: -54.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -711.366869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.366869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.366869 (E_RNA) where: Base-Base interactions energy: -460.788 where: short stacking energy: -231.414 Base-Backbone interact. energy: -0.634 local terms energy: -249.944526 where: bonds (distance) C4'-P energy: -43.351 bonds (distance) P-C4' energy: -54.211 flat angles C4'-P-C4' energy: -59.725 flat angles P-C4'-P energy: -34.608 tors. eta vs tors. theta energy: -58.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -641.487925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.487925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.487925 (E_RNA) where: Base-Base interactions energy: -423.313 where: short stacking energy: -179.436 Base-Backbone interact. energy: 5.158 local terms energy: -223.333611 where: bonds (distance) C4'-P energy: -55.486 bonds (distance) P-C4' energy: -51.097 flat angles C4'-P-C4' energy: -55.131 flat angles P-C4'-P energy: -36.185 tors. eta vs tors. theta energy: -25.435 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: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -510.651388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.651388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.651388 (E_RNA) where: Base-Base interactions energy: -283.315 where: short stacking energy: -145.246 Base-Backbone interact. energy: -2.469 local terms energy: -224.866453 where: bonds (distance) C4'-P energy: -62.191 bonds (distance) P-C4' energy: -53.439 flat angles C4'-P-C4' energy: -52.367 flat angles P-C4'-P energy: -35.575 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: 10, replica: 7 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -368.546637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.546637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.546637 (E_RNA) where: Base-Base interactions energy: -178.577 where: short stacking energy: -96.644 Base-Backbone interact. energy: -1.736 local terms energy: -188.233074 where: bonds (distance) C4'-P energy: -60.763 bonds (distance) P-C4' energy: -65.828 flat angles C4'-P-C4' energy: -40.846 flat angles P-C4'-P energy: -21.690 tors. eta vs tors. theta energy: 0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1146.358844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.358844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.358844 (E_RNA) where: Base-Base interactions energy: -779.224 where: short stacking energy: -335.816 Base-Backbone interact. energy: 0.802 local terms energy: -367.936953 where: bonds (distance) C4'-P energy: -65.809 bonds (distance) P-C4' energy: -68.819 flat angles C4'-P-C4' energy: -75.514 flat angles P-C4'-P energy: -53.226 tors. eta vs tors. theta energy: -104.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1050.172846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.172846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.172846 (E_RNA) where: Base-Base interactions energy: -716.577 where: short stacking energy: -331.052 Base-Backbone interact. energy: -0.321 local terms energy: -333.275032 where: bonds (distance) C4'-P energy: -59.977 bonds (distance) P-C4' energy: -63.336 flat angles C4'-P-C4' energy: -66.493 flat angles P-C4'-P energy: -44.602 tors. eta vs tors. theta energy: -98.867 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: 3, replica: 10 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -986.795241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.795241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.795241 (E_RNA) where: Base-Base interactions energy: -671.244 where: short stacking energy: -291.893 Base-Backbone interact. energy: -0.872 local terms energy: -314.679055 where: bonds (distance) C4'-P energy: -58.987 bonds (distance) P-C4' energy: -66.634 flat angles C4'-P-C4' energy: -67.647 flat angles P-C4'-P energy: -44.475 tors. eta vs tors. theta energy: -76.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -954.555892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.555892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.555892 (E_RNA) where: Base-Base interactions energy: -651.207 where: short stacking energy: -292.847 Base-Backbone interact. energy: -0.475 local terms energy: -302.873720 where: bonds (distance) C4'-P energy: -56.503 bonds (distance) P-C4' energy: -61.448 flat angles C4'-P-C4' energy: -74.529 flat angles P-C4'-P energy: -34.572 tors. eta vs tors. theta energy: -75.822 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: 5, replica: 8 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -875.720832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.720832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.720832 (E_RNA) where: Base-Base interactions energy: -581.256 where: short stacking energy: -277.005 Base-Backbone interact. energy: -3.463 local terms energy: -291.001874 where: bonds (distance) C4'-P energy: -49.353 bonds (distance) P-C4' energy: -57.991 flat angles C4'-P-C4' energy: -64.265 flat angles P-C4'-P energy: -49.201 tors. eta vs tors. theta energy: -70.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -851.463150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.463150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.463150 (E_RNA) where: Base-Base interactions energy: -563.586 where: short stacking energy: -228.419 Base-Backbone interact. energy: -1.537 local terms energy: -286.339766 where: bonds (distance) C4'-P energy: -54.819 bonds (distance) P-C4' energy: -65.918 flat angles C4'-P-C4' energy: -65.383 flat angles P-C4'-P energy: -46.543 tors. eta vs tors. theta energy: -53.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -721.033931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.033931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.033931 (E_RNA) where: Base-Base interactions energy: -447.977 where: short stacking energy: -191.698 Base-Backbone interact. energy: -0.679 local terms energy: -272.378317 where: bonds (distance) C4'-P energy: -54.795 bonds (distance) P-C4' energy: -54.074 flat angles C4'-P-C4' energy: -70.972 flat angles P-C4'-P energy: -42.413 tors. eta vs tors. theta energy: -50.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -667.003818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.003818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.003818 (E_RNA) where: Base-Base interactions energy: -427.726 where: short stacking energy: -201.434 Base-Backbone interact. energy: -1.835 local terms energy: -237.442472 where: bonds (distance) C4'-P energy: -53.864 bonds (distance) P-C4' energy: -38.563 flat angles C4'-P-C4' energy: -53.516 flat angles P-C4'-P energy: -45.206 tors. eta vs tors. theta energy: -46.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -479.476423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.476423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.476423 (E_RNA) where: Base-Base interactions energy: -281.619 where: short stacking energy: -131.589 Base-Backbone interact. energy: 6.893 local terms energy: -204.751092 where: bonds (distance) C4'-P energy: -55.502 bonds (distance) P-C4' energy: -64.696 flat angles C4'-P-C4' energy: -45.430 flat angles P-C4'-P energy: -28.206 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: 10, replica: 7 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -361.723423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.723423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.723423 (E_RNA) where: Base-Base interactions energy: -191.804 where: short stacking energy: -129.484 Base-Backbone interact. energy: -1.274 local terms energy: -168.645712 where: bonds (distance) C4'-P energy: -46.245 bonds (distance) P-C4' energy: -49.551 flat angles C4'-P-C4' energy: -40.144 flat angles P-C4'-P energy: -29.279 tors. eta vs tors. theta energy: -3.427 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: 6 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1126.327877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.327877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.327877 (E_RNA) where: Base-Base interactions energy: -770.971 where: short stacking energy: -331.563 Base-Backbone interact. energy: -0.807 local terms energy: -354.549322 where: bonds (distance) C4'-P energy: -68.632 bonds (distance) P-C4' energy: -69.533 flat angles C4'-P-C4' energy: -77.733 flat angles P-C4'-P energy: -48.603 tors. eta vs tors. theta energy: -90.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1014.963805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.963805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.963805 (E_RNA) where: Base-Base interactions energy: -697.585 where: short stacking energy: -294.606 Base-Backbone interact. energy: 0.476 local terms energy: -317.854962 where: bonds (distance) C4'-P energy: -63.493 bonds (distance) P-C4' energy: -59.818 flat angles C4'-P-C4' energy: -73.504 flat angles P-C4'-P energy: -37.758 tors. eta vs tors. theta energy: -83.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -981.168460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.168460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.168460 (E_RNA) where: Base-Base interactions energy: -657.780 where: short stacking energy: -288.864 Base-Backbone interact. energy: -1.214 local terms energy: -322.173970 where: bonds (distance) C4'-P energy: -61.716 bonds (distance) P-C4' energy: -59.577 flat angles C4'-P-C4' energy: -66.206 flat angles P-C4'-P energy: -51.837 tors. eta vs tors. theta energy: -82.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -982.969302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.969302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.969302 (E_RNA) where: Base-Base interactions energy: -673.190 where: short stacking energy: -298.948 Base-Backbone interact. energy: 8.893 local terms energy: -318.672609 where: bonds (distance) C4'-P energy: -61.483 bonds (distance) P-C4' energy: -57.047 flat angles C4'-P-C4' energy: -69.678 flat angles P-C4'-P energy: -45.042 tors. eta vs tors. theta energy: -85.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -881.126060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.126060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.126060 (E_RNA) where: Base-Base interactions energy: -586.615 where: short stacking energy: -260.044 Base-Backbone interact. energy: -2.546 local terms energy: -291.965917 where: bonds (distance) C4'-P energy: -51.771 bonds (distance) P-C4' energy: -60.372 flat angles C4'-P-C4' energy: -63.841 flat angles P-C4'-P energy: -41.605 tors. eta vs tors. theta energy: -74.377 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: 1 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -778.178642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.178642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.178642 (E_RNA) where: Base-Base interactions energy: -524.573 where: short stacking energy: -234.910 Base-Backbone interact. energy: -0.312 local terms energy: -253.294081 where: bonds (distance) C4'-P energy: -50.855 bonds (distance) P-C4' energy: -53.720 flat angles C4'-P-C4' energy: -61.049 flat angles P-C4'-P energy: -37.751 tors. eta vs tors. theta energy: -49.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -733.671761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.671761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.671761 (E_RNA) where: Base-Base interactions energy: -467.861 where: short stacking energy: -205.622 Base-Backbone interact. energy: 2.671 local terms energy: -268.481186 where: bonds (distance) C4'-P energy: -57.644 bonds (distance) P-C4' energy: -64.394 flat angles C4'-P-C4' energy: -53.179 flat angles P-C4'-P energy: -44.153 tors. eta vs tors. theta energy: -49.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -694.622734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.622734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.622734 (E_RNA) where: Base-Base interactions energy: -434.727 where: short stacking energy: -210.177 Base-Backbone interact. energy: -0.355 local terms energy: -259.540975 where: bonds (distance) C4'-P energy: -54.431 bonds (distance) P-C4' energy: -64.231 flat angles C4'-P-C4' energy: -48.798 flat angles P-C4'-P energy: -45.387 tors. eta vs tors. theta energy: -46.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -497.448560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.448560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.448560 (E_RNA) where: Base-Base interactions energy: -279.765 where: short stacking energy: -139.597 Base-Backbone interact. energy: -0.671 local terms energy: -217.012839 where: bonds (distance) C4'-P energy: -53.486 bonds (distance) P-C4' energy: -58.817 flat angles C4'-P-C4' energy: -61.741 flat angles P-C4'-P energy: -26.741 tors. eta vs tors. theta energy: -16.229 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: 7 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -375.714769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.714769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.714769 (E_RNA) where: Base-Base interactions energy: -185.483 where: short stacking energy: -119.265 Base-Backbone interact. energy: -0.872 local terms energy: -189.359489 where: bonds (distance) C4'-P energy: -55.733 bonds (distance) P-C4' energy: -62.605 flat angles C4'-P-C4' energy: -47.615 flat angles P-C4'-P energy: -11.546 tors. eta vs tors. theta energy: -11.860 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: 6 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1127.753759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.753759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.753759 (E_RNA) where: Base-Base interactions energy: -775.111 where: short stacking energy: -340.224 Base-Backbone interact. energy: 0.052 local terms energy: -352.695694 where: bonds (distance) C4'-P energy: -71.100 bonds (distance) P-C4' energy: -67.243 flat angles C4'-P-C4' energy: -65.936 flat angles P-C4'-P energy: -49.680 tors. eta vs tors. theta energy: -98.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1043.447151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.447151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.447151 (E_RNA) where: Base-Base interactions energy: -697.193 where: short stacking energy: -304.190 Base-Backbone interact. energy: -1.806 local terms energy: -344.448117 where: bonds (distance) C4'-P energy: -67.296 bonds (distance) P-C4' energy: -64.070 flat angles C4'-P-C4' energy: -77.643 flat angles P-C4'-P energy: -47.155 tors. eta vs tors. theta energy: -88.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -992.147850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.147850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.147850 (E_RNA) where: Base-Base interactions energy: -674.980 where: short stacking energy: -295.859 Base-Backbone interact. energy: -0.512 local terms energy: -316.656695 where: bonds (distance) C4'-P energy: -67.157 bonds (distance) P-C4' energy: -60.460 flat angles C4'-P-C4' energy: -59.427 flat angles P-C4'-P energy: -44.388 tors. eta vs tors. theta energy: -85.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -949.216991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.216991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.216991 (E_RNA) where: Base-Base interactions energy: -623.942 where: short stacking energy: -280.723 Base-Backbone interact. energy: 0.028 local terms energy: -325.303003 where: bonds (distance) C4'-P energy: -67.541 bonds (distance) P-C4' energy: -65.941 flat angles C4'-P-C4' energy: -64.820 flat angles P-C4'-P energy: -52.962 tors. eta vs tors. theta energy: -74.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -863.641874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.641874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.641874 (E_RNA) where: Base-Base interactions energy: -576.670 where: short stacking energy: -249.932 Base-Backbone interact. energy: -0.887 local terms energy: -286.084333 where: bonds (distance) C4'-P energy: -68.829 bonds (distance) P-C4' energy: -58.465 flat angles C4'-P-C4' energy: -65.010 flat angles P-C4'-P energy: -36.382 tors. eta vs tors. theta energy: -57.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -759.039044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.039044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.039044 (E_RNA) where: Base-Base interactions energy: -519.906 where: short stacking energy: -223.547 Base-Backbone interact. energy: -1.083 local terms energy: -238.049893 where: bonds (distance) C4'-P energy: -36.245 bonds (distance) P-C4' energy: -54.407 flat angles C4'-P-C4' energy: -59.429 flat angles P-C4'-P energy: -37.638 tors. eta vs tors. theta energy: -50.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -708.006004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.006004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.006004 (E_RNA) where: Base-Base interactions energy: -440.887 where: short stacking energy: -207.667 Base-Backbone interact. energy: -0.148 local terms energy: -266.971477 where: bonds (distance) C4'-P energy: -53.793 bonds (distance) P-C4' energy: -63.210 flat angles C4'-P-C4' energy: -69.149 flat angles P-C4'-P energy: -37.933 tors. eta vs tors. theta energy: -42.886 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: 2 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -628.955044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.955044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.955044 (E_RNA) where: Base-Base interactions energy: -402.419 where: short stacking energy: -189.847 Base-Backbone interact. energy: -0.851 local terms energy: -225.685248 where: bonds (distance) C4'-P energy: -56.430 bonds (distance) P-C4' energy: -54.779 flat angles C4'-P-C4' energy: -54.582 flat angles P-C4'-P energy: -19.211 tors. eta vs tors. theta energy: -40.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -506.243152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.243152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.243152 (E_RNA) where: Base-Base interactions energy: -298.195 where: short stacking energy: -143.298 Base-Backbone interact. energy: -0.726 local terms energy: -207.322528 where: bonds (distance) C4'-P energy: -49.525 bonds (distance) P-C4' energy: -59.964 flat angles C4'-P-C4' energy: -57.202 flat angles P-C4'-P energy: -16.642 tors. eta vs tors. theta energy: -23.989 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: 7 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -353.966930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.966930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.966930 (E_RNA) where: Base-Base interactions energy: -159.738 where: short stacking energy: -97.051 Base-Backbone interact. energy: 4.086 local terms energy: -198.314636 where: bonds (distance) C4'-P energy: -69.555 bonds (distance) P-C4' energy: -48.447 flat angles C4'-P-C4' energy: -51.041 flat angles P-C4'-P energy: -31.229 tors. eta vs tors. theta energy: 1.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1103.554617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.554617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.554617 (E_RNA) where: Base-Base interactions energy: -758.033 where: short stacking energy: -329.453 Base-Backbone interact. energy: -2.252 local terms energy: -343.269463 where: bonds (distance) C4'-P energy: -66.291 bonds (distance) P-C4' energy: -58.319 flat angles C4'-P-C4' energy: -72.192 flat angles P-C4'-P energy: -55.673 tors. eta vs tors. theta energy: -90.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1038.110683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.110683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.110683 (E_RNA) where: Base-Base interactions energy: -705.488 where: short stacking energy: -298.458 Base-Backbone interact. energy: -1.081 local terms energy: -331.542061 where: bonds (distance) C4'-P energy: -58.391 bonds (distance) P-C4' energy: -72.269 flat angles C4'-P-C4' energy: -65.968 flat angles P-C4'-P energy: -46.199 tors. eta vs tors. theta energy: -88.716 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: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1002.076816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.076816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.076816 (E_RNA) where: Base-Base interactions energy: -669.564 where: short stacking energy: -296.403 Base-Backbone interact. energy: 0.068 local terms energy: -332.580501 where: bonds (distance) C4'-P energy: -64.693 bonds (distance) P-C4' energy: -62.782 flat angles C4'-P-C4' energy: -65.910 flat angles P-C4'-P energy: -55.381 tors. eta vs tors. theta energy: -83.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -956.915671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.915671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.915671 (E_RNA) where: Base-Base interactions energy: -664.125 where: short stacking energy: -288.705 Base-Backbone interact. energy: -1.114 local terms energy: -291.677092 where: bonds (distance) C4'-P energy: -50.275 bonds (distance) P-C4' energy: -59.646 flat angles C4'-P-C4' energy: -56.995 flat angles P-C4'-P energy: -46.655 tors. eta vs tors. theta energy: -78.106 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: 8 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -883.482637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.482637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.482637 (E_RNA) where: Base-Base interactions energy: -589.908 where: short stacking energy: -242.411 Base-Backbone interact. energy: -2.536 local terms energy: -291.038516 where: bonds (distance) C4'-P energy: -55.974 bonds (distance) P-C4' energy: -61.439 flat angles C4'-P-C4' energy: -70.398 flat angles P-C4'-P energy: -40.556 tors. eta vs tors. theta energy: -62.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -762.019763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.019763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.019763 (E_RNA) where: Base-Base interactions energy: -498.806 where: short stacking energy: -247.085 Base-Backbone interact. energy: -0.779 local terms energy: -262.433970 where: bonds (distance) C4'-P energy: -38.401 bonds (distance) P-C4' energy: -51.269 flat angles C4'-P-C4' energy: -57.101 flat angles P-C4'-P energy: -43.880 tors. eta vs tors. theta energy: -71.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -781.852562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.852562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.852562 (E_RNA) where: Base-Base interactions energy: -535.138 where: short stacking energy: -229.983 Base-Backbone interact. energy: 2.346 local terms energy: -249.060077 where: bonds (distance) C4'-P energy: -58.386 bonds (distance) P-C4' energy: -56.189 flat angles C4'-P-C4' energy: -58.448 flat angles P-C4'-P energy: -26.557 tors. eta vs tors. theta energy: -49.481 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: 2 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -603.831307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.831307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.831307 (E_RNA) where: Base-Base interactions energy: -362.548 where: short stacking energy: -164.325 Base-Backbone interact. energy: -1.470 local terms energy: -239.812988 where: bonds (distance) C4'-P energy: -56.991 bonds (distance) P-C4' energy: -52.751 flat angles C4'-P-C4' energy: -56.774 flat angles P-C4'-P energy: -34.635 tors. eta vs tors. theta energy: -38.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -478.051934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.051934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.051934 (E_RNA) where: Base-Base interactions energy: -276.052 where: short stacking energy: -156.615 Base-Backbone interact. energy: -0.521 local terms energy: -201.478364 where: bonds (distance) C4'-P energy: -53.698 bonds (distance) P-C4' energy: -48.593 flat angles C4'-P-C4' energy: -55.493 flat angles P-C4'-P energy: -25.722 tors. eta vs tors. theta energy: -17.971 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: 10, replica: 7 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -353.869542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.869542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.869542 (E_RNA) where: Base-Base interactions energy: -170.686 where: short stacking energy: -114.970 Base-Backbone interact. energy: 3.301 local terms energy: -186.483622 where: bonds (distance) C4'-P energy: -42.803 bonds (distance) P-C4' energy: -54.898 flat angles C4'-P-C4' energy: -47.535 flat angles P-C4'-P energy: -28.852 tors. eta vs tors. theta energy: -12.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1123.868190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.868190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.868190 (E_RNA) where: Base-Base interactions energy: -766.502 where: short stacking energy: -341.114 Base-Backbone interact. energy: 2.723 local terms energy: -360.088941 where: bonds (distance) C4'-P energy: -62.126 bonds (distance) P-C4' energy: -72.219 flat angles C4'-P-C4' energy: -74.651 flat angles P-C4'-P energy: -45.870 tors. eta vs tors. theta energy: -105.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1046.991435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.991435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.991435 (E_RNA) where: Base-Base interactions energy: -709.061 where: short stacking energy: -291.547 Base-Backbone interact. energy: -3.140 local terms energy: -334.789712 where: bonds (distance) C4'-P energy: -65.053 bonds (distance) P-C4' energy: -68.098 flat angles C4'-P-C4' energy: -69.800 flat angles P-C4'-P energy: -51.264 tors. eta vs tors. theta energy: -80.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1017.116410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.116410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.116410 (E_RNA) where: Base-Base interactions energy: -678.897 where: short stacking energy: -298.584 Base-Backbone interact. energy: -1.542 local terms energy: -336.677673 where: bonds (distance) C4'-P energy: -63.847 bonds (distance) P-C4' energy: -67.629 flat angles C4'-P-C4' energy: -64.260 flat angles P-C4'-P energy: -48.860 tors. eta vs tors. theta energy: -92.082 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: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -977.561014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.561014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.561014 (E_RNA) where: Base-Base interactions energy: -652.773 where: short stacking energy: -287.183 Base-Backbone interact. energy: -0.810 local terms energy: -323.977160 where: bonds (distance) C4'-P energy: -56.713 bonds (distance) P-C4' energy: -61.769 flat angles C4'-P-C4' energy: -68.222 flat angles P-C4'-P energy: -52.090 tors. eta vs tors. theta energy: -85.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -875.844080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.844080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.844080 (E_RNA) where: Base-Base interactions energy: -581.392 where: short stacking energy: -261.419 Base-Backbone interact. energy: -1.607 local terms energy: -292.844655 where: bonds (distance) C4'-P energy: -59.697 bonds (distance) P-C4' energy: -63.905 flat angles C4'-P-C4' energy: -62.453 flat angles P-C4'-P energy: -41.074 tors. eta vs tors. theta energy: -65.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -771.891575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.891575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.891575 (E_RNA) where: Base-Base interactions energy: -470.948 where: short stacking energy: -215.845 Base-Backbone interact. energy: -1.266 local terms energy: -299.677817 where: bonds (distance) C4'-P energy: -61.691 bonds (distance) P-C4' energy: -61.472 flat angles C4'-P-C4' energy: -61.425 flat angles P-C4'-P energy: -49.395 tors. eta vs tors. theta energy: -65.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -760.751974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.751974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.751974 (E_RNA) where: Base-Base interactions energy: -497.718 where: short stacking energy: -189.392 Base-Backbone interact. energy: 0.537 local terms energy: -263.570297 where: bonds (distance) C4'-P energy: -58.903 bonds (distance) P-C4' energy: -55.313 flat angles C4'-P-C4' energy: -63.144 flat angles P-C4'-P energy: -42.128 tors. eta vs tors. theta energy: -44.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -640.580286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.580286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.580286 (E_RNA) where: Base-Base interactions energy: -402.948 where: short stacking energy: -206.918 Base-Backbone interact. energy: -0.090 local terms energy: -237.541459 where: bonds (distance) C4'-P energy: -50.783 bonds (distance) P-C4' energy: -50.831 flat angles C4'-P-C4' energy: -59.948 flat angles P-C4'-P energy: -27.693 tors. eta vs tors. theta energy: -48.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -478.896288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.896288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.896288 (E_RNA) where: Base-Base interactions energy: -278.788 where: short stacking energy: -148.246 Base-Backbone interact. energy: -0.757 local terms energy: -199.351955 where: bonds (distance) C4'-P energy: -39.770 bonds (distance) P-C4' energy: -61.921 flat angles C4'-P-C4' energy: -48.059 flat angles P-C4'-P energy: -27.431 tors. eta vs tors. theta energy: -22.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -365.979163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.979163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.979163 (E_RNA) where: Base-Base interactions energy: -184.381 where: short stacking energy: -120.861 Base-Backbone interact. energy: -1.723 local terms energy: -179.874796 where: bonds (distance) C4'-P energy: -28.673 bonds (distance) P-C4' energy: -68.232 flat angles C4'-P-C4' energy: -41.838 flat angles P-C4'-P energy: -33.767 tors. eta vs tors. theta energy: -7.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1132.912091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.912091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.912091 (E_RNA) where: Base-Base interactions energy: -789.001 where: short stacking energy: -330.298 Base-Backbone interact. energy: -1.027 local terms energy: -342.883713 where: bonds (distance) C4'-P energy: -64.799 bonds (distance) P-C4' energy: -68.449 flat angles C4'-P-C4' energy: -63.911 flat angles P-C4'-P energy: -46.612 tors. eta vs tors. theta energy: -99.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1036.483425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.483425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.483425 (E_RNA) where: Base-Base interactions energy: -701.986 where: short stacking energy: -296.555 Base-Backbone interact. energy: -0.434 local terms energy: -334.062995 where: bonds (distance) C4'-P energy: -54.883 bonds (distance) P-C4' energy: -70.225 flat angles C4'-P-C4' energy: -73.824 flat angles P-C4'-P energy: -53.424 tors. eta vs tors. theta energy: -81.708 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: 5 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1018.212349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.212349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.212349 (E_RNA) where: Base-Base interactions energy: -703.867 where: short stacking energy: -311.277 Base-Backbone interact. energy: -0.360 local terms energy: -313.985981 where: bonds (distance) C4'-P energy: -53.375 bonds (distance) P-C4' energy: -58.294 flat angles C4'-P-C4' energy: -73.578 flat angles P-C4'-P energy: -45.624 tors. eta vs tors. theta energy: -83.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -967.345561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.345561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.345561 (E_RNA) where: Base-Base interactions energy: -654.710 where: short stacking energy: -277.272 Base-Backbone interact. energy: -1.471 local terms energy: -311.164473 where: bonds (distance) C4'-P energy: -63.155 bonds (distance) P-C4' energy: -60.952 flat angles C4'-P-C4' energy: -68.055 flat angles P-C4'-P energy: -42.872 tors. eta vs tors. theta energy: -76.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -850.807159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.807159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.807159 (E_RNA) where: Base-Base interactions energy: -559.403 where: short stacking energy: -263.945 Base-Backbone interact. energy: -0.641 local terms energy: -290.762876 where: bonds (distance) C4'-P energy: -58.920 bonds (distance) P-C4' energy: -54.380 flat angles C4'-P-C4' energy: -71.072 flat angles P-C4'-P energy: -39.410 tors. eta vs tors. theta energy: -66.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -796.231868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.231868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.231868 (E_RNA) where: Base-Base interactions energy: -541.123 where: short stacking energy: -233.809 Base-Backbone interact. energy: -2.102 local terms energy: -253.006514 where: bonds (distance) C4'-P energy: -56.751 bonds (distance) P-C4' energy: -51.611 flat angles C4'-P-C4' energy: -56.823 flat angles P-C4'-P energy: -33.456 tors. eta vs tors. theta energy: -54.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -731.144622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.144622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.144622 (E_RNA) where: Base-Base interactions energy: -456.133 where: short stacking energy: -224.485 Base-Backbone interact. energy: -0.435 local terms energy: -274.576962 where: bonds (distance) C4'-P energy: -56.690 bonds (distance) P-C4' energy: -55.297 flat angles C4'-P-C4' energy: -64.257 flat angles P-C4'-P energy: -36.458 tors. eta vs tors. theta energy: -61.875 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: 2 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -616.296202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.296202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.296202 (E_RNA) where: Base-Base interactions energy: -393.127 where: short stacking energy: -190.109 Base-Backbone interact. energy: -0.724 local terms energy: -222.445196 where: bonds (distance) C4'-P energy: -42.386 bonds (distance) P-C4' energy: -48.978 flat angles C4'-P-C4' energy: -49.293 flat angles P-C4'-P energy: -42.597 tors. eta vs tors. theta energy: -39.191 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: 4 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -496.759615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.759615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.759615 (E_RNA) where: Base-Base interactions energy: -279.215 where: short stacking energy: -146.436 Base-Backbone interact. energy: -1.390 local terms energy: -216.154204 where: bonds (distance) C4'-P energy: -49.703 bonds (distance) P-C4' energy: -55.969 flat angles C4'-P-C4' energy: -60.168 flat angles P-C4'-P energy: -33.570 tors. eta vs tors. theta energy: -16.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -354.336534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.336534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.336534 (E_RNA) where: Base-Base interactions energy: -183.382 where: short stacking energy: -91.393 Base-Backbone interact. energy: 0.803 local terms energy: -171.758176 where: bonds (distance) C4'-P energy: -43.663 bonds (distance) P-C4' energy: -60.925 flat angles C4'-P-C4' energy: -46.844 flat angles P-C4'-P energy: -27.089 tors. eta vs tors. theta energy: 6.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1118.728213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.728213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.728213 (E_RNA) where: Base-Base interactions energy: -760.826 where: short stacking energy: -329.865 Base-Backbone interact. energy: -2.081 local terms energy: -355.820256 where: bonds (distance) C4'-P energy: -64.178 bonds (distance) P-C4' energy: -67.662 flat angles C4'-P-C4' energy: -73.615 flat angles P-C4'-P energy: -50.465 tors. eta vs tors. theta energy: -99.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1048.738985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.738985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.738985 (E_RNA) where: Base-Base interactions energy: -714.630 where: short stacking energy: -310.329 Base-Backbone interact. energy: -0.573 local terms energy: -333.535496 where: bonds (distance) C4'-P energy: -56.043 bonds (distance) P-C4' energy: -69.565 flat angles C4'-P-C4' energy: -71.825 flat angles P-C4'-P energy: -49.517 tors. eta vs tors. theta energy: -86.585 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: 5 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1032.329054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.329054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.329054 (E_RNA) where: Base-Base interactions energy: -720.487 where: short stacking energy: -322.676 Base-Backbone interact. energy: -0.609 local terms energy: -311.233044 where: bonds (distance) C4'-P energy: -61.625 bonds (distance) P-C4' energy: -63.780 flat angles C4'-P-C4' energy: -59.298 flat angles P-C4'-P energy: -40.812 tors. eta vs tors. theta energy: -85.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -971.978670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.978670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.978670 (E_RNA) where: Base-Base interactions energy: -661.050 where: short stacking energy: -281.680 Base-Backbone interact. energy: -1.745 local terms energy: -309.183737 where: bonds (distance) C4'-P energy: -57.358 bonds (distance) P-C4' energy: -58.223 flat angles C4'-P-C4' energy: -71.135 flat angles P-C4'-P energy: -37.857 tors. eta vs tors. theta energy: -84.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -848.688338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.688338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.688338 (E_RNA) where: Base-Base interactions energy: -578.771 where: short stacking energy: -251.304 Base-Backbone interact. energy: -0.491 local terms energy: -269.426910 where: bonds (distance) C4'-P energy: -49.787 bonds (distance) P-C4' energy: -66.064 flat angles C4'-P-C4' energy: -62.341 flat angles P-C4'-P energy: -34.242 tors. eta vs tors. theta energy: -56.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -812.357685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.357685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.357685 (E_RNA) where: Base-Base interactions energy: -547.928 where: short stacking energy: -252.500 Base-Backbone interact. energy: 3.839 local terms energy: -268.268055 where: bonds (distance) C4'-P energy: -51.726 bonds (distance) P-C4' energy: -53.189 flat angles C4'-P-C4' energy: -68.431 flat angles P-C4'-P energy: -37.550 tors. eta vs tors. theta energy: -57.371 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: 9 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -694.182312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.182312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.182312 (E_RNA) where: Base-Base interactions energy: -450.629 where: short stacking energy: -215.325 Base-Backbone interact. energy: -1.982 local terms energy: -241.571613 where: bonds (distance) C4'-P energy: -58.551 bonds (distance) P-C4' energy: -51.463 flat angles C4'-P-C4' energy: -63.888 flat angles P-C4'-P energy: -29.162 tors. eta vs tors. theta energy: -38.507 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: 2 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -643.233640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.233640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.233640 (E_RNA) where: Base-Base interactions energy: -401.222 where: short stacking energy: -196.073 Base-Backbone interact. energy: -2.801 local terms energy: -239.210195 where: bonds (distance) C4'-P energy: -44.610 bonds (distance) P-C4' energy: -59.790 flat angles C4'-P-C4' energy: -64.221 flat angles P-C4'-P energy: -29.736 tors. eta vs tors. theta energy: -40.853 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: 4 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -508.278664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.278664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.278664 (E_RNA) where: Base-Base interactions energy: -314.806 where: short stacking energy: -119.405 Base-Backbone interact. energy: -2.208 local terms energy: -191.264511 where: bonds (distance) C4'-P energy: -53.356 bonds (distance) P-C4' energy: -51.986 flat angles C4'-P-C4' energy: -45.915 flat angles P-C4'-P energy: -29.535 tors. eta vs tors. theta energy: -10.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -349.750615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.750615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.750615 (E_RNA) where: Base-Base interactions energy: -176.054 where: short stacking energy: -109.406 Base-Backbone interact. energy: 0.455 local terms energy: -174.151905 where: bonds (distance) C4'-P energy: -44.033 bonds (distance) P-C4' energy: -61.731 flat angles C4'-P-C4' energy: -48.809 flat angles P-C4'-P energy: -26.399 tors. eta vs tors. theta energy: 6.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1116.768276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.768276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.768276 (E_RNA) where: Base-Base interactions energy: -777.212 where: short stacking energy: -331.758 Base-Backbone interact. energy: 1.170 local terms energy: -340.725942 where: bonds (distance) C4'-P energy: -57.974 bonds (distance) P-C4' energy: -70.319 flat angles C4'-P-C4' energy: -66.989 flat angles P-C4'-P energy: -50.485 tors. eta vs tors. theta energy: -94.959 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: 2, replica: 5 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1029.477194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.477194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.477194 (E_RNA) where: Base-Base interactions energy: -703.075 where: short stacking energy: -300.121 Base-Backbone interact. energy: 1.737 local terms energy: -328.139507 where: bonds (distance) C4'-P energy: -64.250 bonds (distance) P-C4' energy: -67.361 flat angles C4'-P-C4' energy: -67.306 flat angles P-C4'-P energy: -47.572 tors. eta vs tors. theta energy: -81.651 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: 10 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -995.043108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.043108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.043108 (E_RNA) where: Base-Base interactions energy: -670.822 where: short stacking energy: -282.717 Base-Backbone interact. energy: -0.382 local terms energy: -323.838557 where: bonds (distance) C4'-P energy: -66.814 bonds (distance) P-C4' energy: -75.333 flat angles C4'-P-C4' energy: -56.941 flat angles P-C4'-P energy: -45.741 tors. eta vs tors. theta energy: -79.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -989.680166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.680166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.680166 (E_RNA) where: Base-Base interactions energy: -687.289 where: short stacking energy: -284.304 Base-Backbone interact. energy: 0.509 local terms energy: -302.900170 where: bonds (distance) C4'-P energy: -58.375 bonds (distance) P-C4' energy: -54.943 flat angles C4'-P-C4' energy: -68.852 flat angles P-C4'-P energy: -33.773 tors. eta vs tors. theta energy: -86.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -840.484667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.484667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.484667 (E_RNA) where: Base-Base interactions energy: -550.585 where: short stacking energy: -236.992 Base-Backbone interact. energy: -1.512 local terms energy: -288.388077 where: bonds (distance) C4'-P energy: -62.770 bonds (distance) P-C4' energy: -65.203 flat angles C4'-P-C4' energy: -65.405 flat angles P-C4'-P energy: -42.293 tors. eta vs tors. theta energy: -52.718 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: 1 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -838.701984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.701984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.701984 (E_RNA) where: Base-Base interactions energy: -578.643 where: short stacking energy: -239.919 Base-Backbone interact. energy: -1.456 local terms energy: -258.603250 where: bonds (distance) C4'-P energy: -59.001 bonds (distance) P-C4' energy: -53.032 flat angles C4'-P-C4' energy: -56.800 flat angles P-C4'-P energy: -31.987 tors. eta vs tors. theta energy: -57.785 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: 9 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -706.197715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.197715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.197715 (E_RNA) where: Base-Base interactions energy: -453.269 where: short stacking energy: -221.097 Base-Backbone interact. energy: 1.105 local terms energy: -254.033398 where: bonds (distance) C4'-P energy: -49.277 bonds (distance) P-C4' energy: -56.244 flat angles C4'-P-C4' energy: -58.314 flat angles P-C4'-P energy: -32.401 tors. eta vs tors. theta energy: -57.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -651.784086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.784086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.784086 (E_RNA) where: Base-Base interactions energy: -416.663 where: short stacking energy: -196.699 Base-Backbone interact. energy: -0.474 local terms energy: -234.647342 where: bonds (distance) C4'-P energy: -43.367 bonds (distance) P-C4' energy: -61.785 flat angles C4'-P-C4' energy: -51.420 flat angles P-C4'-P energy: -41.541 tors. eta vs tors. theta energy: -36.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -494.298479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.298479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.298479 (E_RNA) where: Base-Base interactions energy: -284.929 where: short stacking energy: -157.672 Base-Backbone interact. energy: 1.543 local terms energy: -210.912390 where: bonds (distance) C4'-P energy: -57.297 bonds (distance) P-C4' energy: -56.289 flat angles C4'-P-C4' energy: -48.540 flat angles P-C4'-P energy: -32.396 tors. eta vs tors. theta energy: -16.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -361.471743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.471743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.471743 (E_RNA) where: Base-Base interactions energy: -176.577 where: short stacking energy: -130.130 Base-Backbone interact. energy: 3.314 local terms energy: -188.209429 where: bonds (distance) C4'-P energy: -42.994 bonds (distance) P-C4' energy: -65.386 flat angles C4'-P-C4' energy: -56.185 flat angles P-C4'-P energy: -16.464 tors. eta vs tors. theta energy: -7.180 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: 6 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1120.965828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.965828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.965828 (E_RNA) where: Base-Base interactions energy: -771.666 where: short stacking energy: -332.948 Base-Backbone interact. energy: -0.667 local terms energy: -348.632429 where: bonds (distance) C4'-P energy: -55.222 bonds (distance) P-C4' energy: -70.884 flat angles C4'-P-C4' energy: -70.920 flat angles P-C4'-P energy: -51.820 tors. eta vs tors. theta energy: -99.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1032.149742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.149742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.149742 (E_RNA) where: Base-Base interactions energy: -690.741 where: short stacking energy: -320.574 Base-Backbone interact. energy: -0.250 local terms energy: -341.157917 where: bonds (distance) C4'-P energy: -63.446 bonds (distance) P-C4' energy: -61.133 flat angles C4'-P-C4' energy: -74.373 flat angles P-C4'-P energy: -51.263 tors. eta vs tors. theta energy: -90.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1001.792563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.792563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.792563 (E_RNA) where: Base-Base interactions energy: -678.365 where: short stacking energy: -293.559 Base-Backbone interact. energy: -0.697 local terms energy: -322.730018 where: bonds (distance) C4'-P energy: -63.547 bonds (distance) P-C4' energy: -61.088 flat angles C4'-P-C4' energy: -69.112 flat angles P-C4'-P energy: -39.788 tors. eta vs tors. theta energy: -89.194 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: 4, replica: 10 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -999.587437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.587437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.587437 (E_RNA) where: Base-Base interactions energy: -676.238 where: short stacking energy: -280.777 Base-Backbone interact. energy: -1.853 local terms energy: -321.496972 where: bonds (distance) C4'-P energy: -60.550 bonds (distance) P-C4' energy: -67.808 flat angles C4'-P-C4' energy: -70.669 flat angles P-C4'-P energy: -44.264 tors. eta vs tors. theta energy: -78.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -832.219864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.219864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.219864 (E_RNA) where: Base-Base interactions energy: -548.898 where: short stacking energy: -254.572 Base-Backbone interact. energy: -1.157 local terms energy: -282.164775 where: bonds (distance) C4'-P energy: -66.665 bonds (distance) P-C4' energy: -58.974 flat angles C4'-P-C4' energy: -59.691 flat angles P-C4'-P energy: -37.466 tors. eta vs tors. theta energy: -59.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -831.694858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.694858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.694858 (E_RNA) where: Base-Base interactions energy: -559.269 where: short stacking energy: -238.562 Base-Backbone interact. energy: 0.034 local terms energy: -272.460326 where: bonds (distance) C4'-P energy: -57.454 bonds (distance) P-C4' energy: -56.424 flat angles C4'-P-C4' energy: -67.135 flat angles P-C4'-P energy: -43.180 tors. eta vs tors. theta energy: -48.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -743.058231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.058231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.058231 (E_RNA) where: Base-Base interactions energy: -491.960 where: short stacking energy: -220.015 Base-Backbone interact. energy: -0.250 local terms energy: -250.847969 where: bonds (distance) C4'-P energy: -54.871 bonds (distance) P-C4' energy: -45.960 flat angles C4'-P-C4' energy: -63.212 flat angles P-C4'-P energy: -36.570 tors. eta vs tors. theta energy: -50.235 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: 8, replica: 2 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -646.790053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.790053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.790053 (E_RNA) where: Base-Base interactions energy: -415.216 where: short stacking energy: -207.654 Base-Backbone interact. energy: -0.784 local terms energy: -230.790582 where: bonds (distance) C4'-P energy: -54.950 bonds (distance) P-C4' energy: -58.889 flat angles C4'-P-C4' energy: -49.808 flat angles P-C4'-P energy: -28.622 tors. eta vs tors. theta energy: -38.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -455.449116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.449116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.449116 (E_RNA) where: Base-Base interactions energy: -247.915 where: short stacking energy: -130.411 Base-Backbone interact. energy: 0.189 local terms energy: -207.723248 where: bonds (distance) C4'-P energy: -56.488 bonds (distance) P-C4' energy: -57.061 flat angles C4'-P-C4' energy: -46.315 flat angles P-C4'-P energy: -39.542 tors. eta vs tors. theta energy: -8.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -352.596678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.596678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.596678 (E_RNA) where: Base-Base interactions energy: -171.415 where: short stacking energy: -113.591 Base-Backbone interact. energy: -0.498 local terms energy: -180.683163 where: bonds (distance) C4'-P energy: -54.274 bonds (distance) P-C4' energy: -57.610 flat angles C4'-P-C4' energy: -37.439 flat angles P-C4'-P energy: -25.109 tors. eta vs tors. theta energy: -6.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1121.592020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.592020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.592020 (E_RNA) where: Base-Base interactions energy: -783.710 where: short stacking energy: -328.645 Base-Backbone interact. energy: -0.594 local terms energy: -337.288659 where: bonds (distance) C4'-P energy: -65.119 bonds (distance) P-C4' energy: -63.738 flat angles C4'-P-C4' energy: -67.858 flat angles P-C4'-P energy: -45.253 tors. eta vs tors. theta energy: -95.319 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: 5 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1035.390650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.390650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.390650 (E_RNA) where: Base-Base interactions energy: -708.668 where: short stacking energy: -307.306 Base-Backbone interact. energy: -0.555 local terms energy: -326.166886 where: bonds (distance) C4'-P energy: -57.917 bonds (distance) P-C4' energy: -64.928 flat angles C4'-P-C4' energy: -73.725 flat angles P-C4'-P energy: -47.535 tors. eta vs tors. theta energy: -82.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -987.503477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.503477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.503477 (E_RNA) where: Base-Base interactions energy: -668.770 where: short stacking energy: -292.314 Base-Backbone interact. energy: -0.982 local terms energy: -317.751338 where: bonds (distance) C4'-P energy: -57.332 bonds (distance) P-C4' energy: -64.156 flat angles C4'-P-C4' energy: -67.403 flat angles P-C4'-P energy: -44.481 tors. eta vs tors. theta energy: -84.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -986.214040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.214040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.214040 (E_RNA) where: Base-Base interactions energy: -686.750 where: short stacking energy: -287.476 Base-Backbone interact. energy: -2.494 local terms energy: -296.970729 where: bonds (distance) C4'-P energy: -64.045 bonds (distance) P-C4' energy: -62.899 flat angles C4'-P-C4' energy: -69.909 flat angles P-C4'-P energy: -26.363 tors. eta vs tors. theta energy: -73.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -829.824796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.824796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.824796 (E_RNA) where: Base-Base interactions energy: -555.693 where: short stacking energy: -254.472 Base-Backbone interact. energy: 5.155 local terms energy: -279.287072 where: bonds (distance) C4'-P energy: -61.132 bonds (distance) P-C4' energy: -45.477 flat angles C4'-P-C4' energy: -70.819 flat angles P-C4'-P energy: -39.717 tors. eta vs tors. theta energy: -62.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -842.291937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.291937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.291937 (E_RNA) where: Base-Base interactions energy: -565.582 where: short stacking energy: -239.634 Base-Backbone interact. energy: -1.205 local terms energy: -275.505301 where: bonds (distance) C4'-P energy: -68.946 bonds (distance) P-C4' energy: -45.908 flat angles C4'-P-C4' energy: -66.733 flat angles P-C4'-P energy: -33.408 tors. eta vs tors. theta energy: -60.511 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: 9 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -775.469432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.469432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.469432 (E_RNA) where: Base-Base interactions energy: -503.711 where: short stacking energy: -210.512 Base-Backbone interact. energy: -2.289 local terms energy: -269.468612 where: bonds (distance) C4'-P energy: -52.047 bonds (distance) P-C4' energy: -64.177 flat angles C4'-P-C4' energy: -61.947 flat angles P-C4'-P energy: -38.078 tors. eta vs tors. theta energy: -53.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -661.773129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.773129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.773129 (E_RNA) where: Base-Base interactions energy: -420.213 where: short stacking energy: -219.765 Base-Backbone interact. energy: -0.647 local terms energy: -240.913171 where: bonds (distance) C4'-P energy: -58.836 bonds (distance) P-C4' energy: -53.333 flat angles C4'-P-C4' energy: -55.190 flat angles P-C4'-P energy: -31.678 tors. eta vs tors. theta energy: -41.876 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: 4 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -467.728415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.728415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.728415 (E_RNA) where: Base-Base interactions energy: -264.258 where: short stacking energy: -140.255 Base-Backbone interact. energy: 0.233 local terms energy: -203.702611 where: bonds (distance) C4'-P energy: -48.233 bonds (distance) P-C4' energy: -71.421 flat angles C4'-P-C4' energy: -49.095 flat angles P-C4'-P energy: -31.409 tors. eta vs tors. theta energy: -3.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -362.253973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.253973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.253973 (E_RNA) where: Base-Base interactions energy: -196.031 where: short stacking energy: -92.182 Base-Backbone interact. energy: -2.068 local terms energy: -164.155405 where: bonds (distance) C4'-P energy: -51.532 bonds (distance) P-C4' energy: -45.047 flat angles C4'-P-C4' energy: -41.044 flat angles P-C4'-P energy: -32.043 tors. eta vs tors. theta energy: 5.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1138.111972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.111972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.111972 (E_RNA) where: Base-Base interactions energy: -778.210 where: short stacking energy: -311.899 Base-Backbone interact. energy: 0.255 local terms energy: -360.157482 where: bonds (distance) C4'-P energy: -60.140 bonds (distance) P-C4' energy: -74.398 flat angles C4'-P-C4' energy: -75.590 flat angles P-C4'-P energy: -52.159 tors. eta vs tors. theta energy: -97.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1067.694230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.694230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.694230 (E_RNA) where: Base-Base interactions energy: -723.414 where: short stacking energy: -335.027 Base-Backbone interact. energy: -2.528 local terms energy: -341.752638 where: bonds (distance) C4'-P energy: -58.053 bonds (distance) P-C4' energy: -65.857 flat angles C4'-P-C4' energy: -73.163 flat angles P-C4'-P energy: -47.461 tors. eta vs tors. theta energy: -97.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1014.250071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.250071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.250071 (E_RNA) where: Base-Base interactions energy: -700.058 where: short stacking energy: -290.873 Base-Backbone interact. energy: -0.441 local terms energy: -313.751451 where: bonds (distance) C4'-P energy: -69.210 bonds (distance) P-C4' energy: -65.122 flat angles C4'-P-C4' energy: -64.195 flat angles P-C4'-P energy: -40.849 tors. eta vs tors. theta energy: -74.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -985.805302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.805302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.805302 (E_RNA) where: Base-Base interactions energy: -678.737 where: short stacking energy: -297.963 Base-Backbone interact. energy: 4.724 local terms energy: -311.792845 where: bonds (distance) C4'-P energy: -52.840 bonds (distance) P-C4' energy: -62.844 flat angles C4'-P-C4' energy: -65.860 flat angles P-C4'-P energy: -48.359 tors. eta vs tors. theta energy: -81.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -910.094062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.094062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.094062 (E_RNA) where: Base-Base interactions energy: -621.319 where: short stacking energy: -268.351 Base-Backbone interact. energy: -0.193 local terms energy: -288.582006 where: bonds (distance) C4'-P energy: -61.245 bonds (distance) P-C4' energy: -54.457 flat angles C4'-P-C4' energy: -63.491 flat angles P-C4'-P energy: -39.114 tors. eta vs tors. theta energy: -70.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -801.023473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.023473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.023473 (E_RNA) where: Base-Base interactions energy: -537.754 where: short stacking energy: -232.059 Base-Backbone interact. energy: -1.240 local terms energy: -262.029260 where: bonds (distance) C4'-P energy: -48.098 bonds (distance) P-C4' energy: -62.476 flat angles C4'-P-C4' energy: -67.475 flat angles P-C4'-P energy: -36.224 tors. eta vs tors. theta energy: -47.757 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: 9 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -748.399378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.399378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.399378 (E_RNA) where: Base-Base interactions energy: -470.338 where: short stacking energy: -214.596 Base-Backbone interact. energy: -2.934 local terms energy: -275.127392 where: bonds (distance) C4'-P energy: -61.314 bonds (distance) P-C4' energy: -61.231 flat angles C4'-P-C4' energy: -54.516 flat angles P-C4'-P energy: -46.041 tors. eta vs tors. theta energy: -52.025 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: 2 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -635.699763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.699763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.699763 (E_RNA) where: Base-Base interactions energy: -378.445 where: short stacking energy: -192.121 Base-Backbone interact. energy: 0.802 local terms energy: -258.056458 where: bonds (distance) C4'-P energy: -62.298 bonds (distance) P-C4' energy: -67.040 flat angles C4'-P-C4' energy: -61.457 flat angles P-C4'-P energy: -24.995 tors. eta vs tors. theta energy: -42.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -470.507967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.507967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.507967 (E_RNA) where: Base-Base interactions energy: -250.142 where: short stacking energy: -130.894 Base-Backbone interact. energy: 2.232 local terms energy: -222.597903 where: bonds (distance) C4'-P energy: -55.690 bonds (distance) P-C4' energy: -60.783 flat angles C4'-P-C4' energy: -61.323 flat angles P-C4'-P energy: -32.925 tors. eta vs tors. theta energy: -11.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -357.640765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.640765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.640765 (E_RNA) where: Base-Base interactions energy: -161.912 where: short stacking energy: -109.498 Base-Backbone interact. energy: 1.734 local terms energy: -197.462423 where: bonds (distance) C4'-P energy: -44.535 bonds (distance) P-C4' energy: -56.291 flat angles C4'-P-C4' energy: -55.879 flat angles P-C4'-P energy: -27.132 tors. eta vs tors. theta energy: -13.625 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: 6 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1107.220150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.220150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.220150 (E_RNA) where: Base-Base interactions energy: -759.780 where: short stacking energy: -330.494 Base-Backbone interact. energy: -0.962 local terms energy: -346.478051 where: bonds (distance) C4'-P energy: -68.562 bonds (distance) P-C4' energy: -67.540 flat angles C4'-P-C4' energy: -65.681 flat angles P-C4'-P energy: -50.716 tors. eta vs tors. theta energy: -93.978 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: 5 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1059.401163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.401163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.401163 (E_RNA) where: Base-Base interactions energy: -724.247 where: short stacking energy: -316.872 Base-Backbone interact. energy: -0.498 local terms energy: -334.656792 where: bonds (distance) C4'-P energy: -66.368 bonds (distance) P-C4' energy: -64.745 flat angles C4'-P-C4' energy: -65.293 flat angles P-C4'-P energy: -50.075 tors. eta vs tors. theta energy: -88.176 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: 10 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1033.998769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.998769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.998769 (E_RNA) where: Base-Base interactions energy: -699.193 where: short stacking energy: -300.193 Base-Backbone interact. energy: -0.364 local terms energy: -334.440813 where: bonds (distance) C4'-P energy: -66.706 bonds (distance) P-C4' energy: -62.206 flat angles C4'-P-C4' energy: -69.882 flat angles P-C4'-P energy: -52.519 tors. eta vs tors. theta energy: -83.128 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: 101 Temperature: 1.050000 Total energy: -990.185496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.185496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.185496 (E_RNA) where: Base-Base interactions energy: -673.854 where: short stacking energy: -304.231 Base-Backbone interact. energy: -0.921 local terms energy: -315.410294 where: bonds (distance) C4'-P energy: -54.269 bonds (distance) P-C4' energy: -63.994 flat angles C4'-P-C4' energy: -69.706 flat angles P-C4'-P energy: -41.017 tors. eta vs tors. theta energy: -86.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -889.962512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.962512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.962512 (E_RNA) where: Base-Base interactions energy: -603.606 where: short stacking energy: -262.684 Base-Backbone interact. energy: 0.835 local terms energy: -287.191045 where: bonds (distance) C4'-P energy: -53.116 bonds (distance) P-C4' energy: -56.395 flat angles C4'-P-C4' energy: -70.105 flat angles P-C4'-P energy: -38.056 tors. eta vs tors. theta energy: -69.520 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: 1 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -787.217778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.217778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.217778 (E_RNA) where: Base-Base interactions energy: -524.021 where: short stacking energy: -215.916 Base-Backbone interact. energy: -3.488 local terms energy: -259.708676 where: bonds (distance) C4'-P energy: -55.133 bonds (distance) P-C4' energy: -55.942 flat angles C4'-P-C4' energy: -64.163 flat angles P-C4'-P energy: -40.325 tors. eta vs tors. theta energy: -44.146 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: 9 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -722.815713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.815713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.815713 (E_RNA) where: Base-Base interactions energy: -463.022 where: short stacking energy: -204.502 Base-Backbone interact. energy: -1.013 local terms energy: -258.780280 where: bonds (distance) C4'-P energy: -65.002 bonds (distance) P-C4' energy: -57.786 flat angles C4'-P-C4' energy: -61.099 flat angles P-C4'-P energy: -31.878 tors. eta vs tors. theta energy: -43.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -625.357078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.357078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.357078 (E_RNA) where: Base-Base interactions energy: -363.155 where: short stacking energy: -187.886 Base-Backbone interact. energy: -0.476 local terms energy: -261.725658 where: bonds (distance) C4'-P energy: -56.844 bonds (distance) P-C4' energy: -59.861 flat angles C4'-P-C4' energy: -69.402 flat angles P-C4'-P energy: -40.647 tors. eta vs tors. theta energy: -34.972 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: 9, replica: 4 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -462.453144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.453144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.453144 (E_RNA) where: Base-Base interactions energy: -256.098 where: short stacking energy: -146.260 Base-Backbone interact. energy: 1.072 local terms energy: -207.427184 where: bonds (distance) C4'-P energy: -58.804 bonds (distance) P-C4' energy: -48.556 flat angles C4'-P-C4' energy: -49.961 flat angles P-C4'-P energy: -33.590 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: 10, replica: 7 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -349.491423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.491423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.491423 (E_RNA) where: Base-Base interactions energy: -180.579 where: short stacking energy: -98.312 Base-Backbone interact. energy: 2.639 local terms energy: -171.551169 where: bonds (distance) C4'-P energy: -49.215 bonds (distance) P-C4' energy: -56.882 flat angles C4'-P-C4' energy: -37.490 flat angles P-C4'-P energy: -32.849 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: 6 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1123.587033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.587033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.587033 (E_RNA) where: Base-Base interactions energy: -763.327 where: short stacking energy: -352.101 Base-Backbone interact. energy: -0.951 local terms energy: -359.308102 where: bonds (distance) C4'-P energy: -63.644 bonds (distance) P-C4' energy: -66.585 flat angles C4'-P-C4' energy: -76.558 flat angles P-C4'-P energy: -48.412 tors. eta vs tors. theta energy: -104.110 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: 2, replica: 5 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1048.026413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.026413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.026413 (E_RNA) where: Base-Base interactions energy: -720.623 where: short stacking energy: -301.241 Base-Backbone interact. energy: 0.253 local terms energy: -327.656734 where: bonds (distance) C4'-P energy: -59.013 bonds (distance) P-C4' energy: -59.997 flat angles C4'-P-C4' energy: -74.267 flat angles P-C4'-P energy: -50.999 tors. eta vs tors. theta energy: -83.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1041.670325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.670325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.670325 (E_RNA) where: Base-Base interactions energy: -699.771 where: short stacking energy: -305.428 Base-Backbone interact. energy: -0.599 local terms energy: -341.299993 where: bonds (distance) C4'-P energy: -60.830 bonds (distance) P-C4' energy: -68.726 flat angles C4'-P-C4' energy: -67.916 flat angles P-C4'-P energy: -49.782 tors. eta vs tors. theta energy: -94.045 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: 4, replica: 10 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1000.099575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.099575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.099575 (E_RNA) where: Base-Base interactions energy: -722.629 where: short stacking energy: -292.036 Base-Backbone interact. energy: 2.401 local terms energy: -279.871729 where: bonds (distance) C4'-P energy: -54.419 bonds (distance) P-C4' energy: -54.439 flat angles C4'-P-C4' energy: -60.479 flat angles P-C4'-P energy: -42.073 tors. eta vs tors. theta energy: -68.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -922.810064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.810064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.810064 (E_RNA) where: Base-Base interactions energy: -615.958 where: short stacking energy: -264.209 Base-Backbone interact. energy: -0.169 local terms energy: -306.682535 where: bonds (distance) C4'-P energy: -52.120 bonds (distance) P-C4' energy: -66.308 flat angles C4'-P-C4' energy: -68.324 flat angles P-C4'-P energy: -34.641 tors. eta vs tors. theta energy: -85.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -797.686926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.686926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.686926 (E_RNA) where: Base-Base interactions energy: -523.849 where: short stacking energy: -240.732 Base-Backbone interact. energy: -2.454 local terms energy: -271.384519 where: bonds (distance) C4'-P energy: -54.958 bonds (distance) P-C4' energy: -63.077 flat angles C4'-P-C4' energy: -64.684 flat angles P-C4'-P energy: -37.925 tors. eta vs tors. theta energy: -50.740 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: 7, replica: 9 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -760.982239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.982239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.982239 (E_RNA) where: Base-Base interactions energy: -511.125 where: short stacking energy: -221.310 Base-Backbone interact. energy: -0.750 local terms energy: -249.107253 where: bonds (distance) C4'-P energy: -62.475 bonds (distance) P-C4' energy: -44.081 flat angles C4'-P-C4' energy: -64.589 flat angles P-C4'-P energy: -33.869 tors. eta vs tors. theta energy: -44.093 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: 8, replica: 2 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -593.503063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.503063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.503063 (E_RNA) where: Base-Base interactions energy: -382.454 where: short stacking energy: -186.493 Base-Backbone interact. energy: 1.089 local terms energy: -212.137182 where: bonds (distance) C4'-P energy: -50.083 bonds (distance) P-C4' energy: -39.541 flat angles C4'-P-C4' energy: -51.044 flat angles P-C4'-P energy: -31.060 tors. eta vs tors. theta energy: -40.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -372.865063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.865063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.865063 (E_RNA) where: Base-Base interactions energy: -197.678 where: short stacking energy: -109.193 Base-Backbone interact. energy: -0.983 local terms energy: -174.203820 where: bonds (distance) C4'-P energy: -48.870 bonds (distance) P-C4' energy: -49.237 flat angles C4'-P-C4' energy: -52.112 flat angles P-C4'-P energy: -27.321 tors. eta vs tors. theta energy: 3.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -419.474022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.474022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.474022 (E_RNA) where: Base-Base interactions energy: -231.772 where: short stacking energy: -119.802 Base-Backbone interact. energy: -2.111 local terms energy: -185.591648 where: bonds (distance) C4'-P energy: -46.400 bonds (distance) P-C4' energy: -56.131 flat angles C4'-P-C4' energy: -49.556 flat angles P-C4'-P energy: -32.705 tors. eta vs tors. theta energy: -0.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1110.287024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.287024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.287024 (E_RNA) where: Base-Base interactions energy: -759.049 where: short stacking energy: -323.480 Base-Backbone interact. energy: -1.093 local terms energy: -350.144928 where: bonds (distance) C4'-P energy: -61.623 bonds (distance) P-C4' energy: -60.114 flat angles C4'-P-C4' energy: -74.879 flat angles P-C4'-P energy: -52.941 tors. eta vs tors. theta energy: -100.589 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: 5 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1040.525076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.525076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.525076 (E_RNA) where: Base-Base interactions energy: -705.772 where: short stacking energy: -317.631 Base-Backbone interact. energy: -1.426 local terms energy: -333.327262 where: bonds (distance) C4'-P energy: -64.483 bonds (distance) P-C4' energy: -69.720 flat angles C4'-P-C4' energy: -71.226 flat angles P-C4'-P energy: -48.310 tors. eta vs tors. theta energy: -79.588 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: 3 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1007.510367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.510367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.510367 (E_RNA) where: Base-Base interactions energy: -687.911 where: short stacking energy: -296.103 Base-Backbone interact. energy: 0.831 local terms energy: -320.430808 where: bonds (distance) C4'-P energy: -55.701 bonds (distance) P-C4' energy: -61.932 flat angles C4'-P-C4' energy: -67.096 flat angles P-C4'-P energy: -44.412 tors. eta vs tors. theta energy: -91.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1011.470320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.470320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.470320 (E_RNA) where: Base-Base interactions energy: -701.321 where: short stacking energy: -281.511 Base-Backbone interact. energy: -1.558 local terms energy: -308.591823 where: bonds (distance) C4'-P energy: -55.624 bonds (distance) P-C4' energy: -65.759 flat angles C4'-P-C4' energy: -71.349 flat angles P-C4'-P energy: -41.609 tors. eta vs tors. theta energy: -74.251 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: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -908.944931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.944931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.944931 (E_RNA) where: Base-Base interactions energy: -601.559 where: short stacking energy: -263.531 Base-Backbone interact. energy: -0.816 local terms energy: -306.570065 where: bonds (distance) C4'-P energy: -63.984 bonds (distance) P-C4' energy: -61.055 flat angles C4'-P-C4' energy: -63.969 flat angles P-C4'-P energy: -46.214 tors. eta vs tors. theta energy: -71.348 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: 103 Temperature: 1.150000 Total energy: -748.361668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.361668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.361668 (E_RNA) where: Base-Base interactions energy: -489.959 where: short stacking energy: -218.245 Base-Backbone interact. energy: -4.217 local terms energy: -254.186362 where: bonds (distance) C4'-P energy: -55.387 bonds (distance) P-C4' energy: -67.627 flat angles C4'-P-C4' energy: -54.100 flat angles P-C4'-P energy: -36.541 tors. eta vs tors. theta energy: -40.530 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: 103 Temperature: 1.200000 Total energy: -707.427790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.427790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.427790 (E_RNA) where: Base-Base interactions energy: -464.415 where: short stacking energy: -211.878 Base-Backbone interact. energy: 0.067 local terms energy: -243.080541 where: bonds (distance) C4'-P energy: -55.636 bonds (distance) P-C4' energy: -49.081 flat angles C4'-P-C4' energy: -56.081 flat angles P-C4'-P energy: -37.071 tors. eta vs tors. theta energy: -45.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -410.122103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.122103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.122103 (E_RNA) where: Base-Base interactions energy: -234.063 where: short stacking energy: -143.543 Base-Backbone interact. energy: -0.857 local terms energy: -175.201717 where: bonds (distance) C4'-P energy: -49.055 bonds (distance) P-C4' energy: -49.647 flat angles C4'-P-C4' energy: -57.708 flat angles P-C4'-P energy: -11.175 tors. eta vs tors. theta energy: -7.617 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: 2 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -519.091596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.091596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.091596 (E_RNA) where: Base-Base interactions energy: -294.121 where: short stacking energy: -137.947 Base-Backbone interact. energy: -1.740 local terms energy: -223.231080 where: bonds (distance) C4'-P energy: -66.430 bonds (distance) P-C4' energy: -59.021 flat angles C4'-P-C4' energy: -45.895 flat angles P-C4'-P energy: -29.233 tors. eta vs tors. theta energy: -22.652 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: 4 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -456.474560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.474560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.474560 (E_RNA) where: Base-Base interactions energy: -254.913 where: short stacking energy: -134.820 Base-Backbone interact. energy: 2.617 local terms energy: -204.177877 where: bonds (distance) C4'-P energy: -50.075 bonds (distance) P-C4' energy: -60.299 flat angles C4'-P-C4' energy: -42.879 flat angles P-C4'-P energy: -31.919 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: 1, replica: 6 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1106.928399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.928399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.928399 (E_RNA) where: Base-Base interactions energy: -759.386 where: short stacking energy: -321.439 Base-Backbone interact. energy: 1.456 local terms energy: -348.998878 where: bonds (distance) C4'-P energy: -68.246 bonds (distance) P-C4' energy: -65.759 flat angles C4'-P-C4' energy: -72.720 flat angles P-C4'-P energy: -48.679 tors. eta vs tors. theta energy: -93.595 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: 5 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1030.046782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.046782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.046782 (E_RNA) where: Base-Base interactions energy: -708.261 where: short stacking energy: -330.817 Base-Backbone interact. energy: 0.464 local terms energy: -322.248975 where: bonds (distance) C4'-P energy: -63.569 bonds (distance) P-C4' energy: -65.176 flat angles C4'-P-C4' energy: -62.982 flat angles P-C4'-P energy: -52.371 tors. eta vs tors. theta energy: -78.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -991.499471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.499471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.499471 (E_RNA) where: Base-Base interactions energy: -677.312 where: short stacking energy: -310.434 Base-Backbone interact. energy: 2.807 local terms energy: -316.994496 where: bonds (distance) C4'-P energy: -57.020 bonds (distance) P-C4' energy: -63.439 flat angles C4'-P-C4' energy: -64.985 flat angles P-C4'-P energy: -46.617 tors. eta vs tors. theta energy: -84.933 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: 10 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1017.241178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.241178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.241178 (E_RNA) where: Base-Base interactions energy: -704.797 where: short stacking energy: -296.913 Base-Backbone interact. energy: -2.679 local terms energy: -309.765163 where: bonds (distance) C4'-P energy: -59.915 bonds (distance) P-C4' energy: -60.967 flat angles C4'-P-C4' energy: -68.849 flat angles P-C4'-P energy: -38.255 tors. eta vs tors. theta energy: -81.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -934.363618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.363618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.363618 (E_RNA) where: Base-Base interactions energy: -605.358 where: short stacking energy: -265.099 Base-Backbone interact. energy: 0.601 local terms energy: -329.606517 where: bonds (distance) C4'-P energy: -67.520 bonds (distance) P-C4' energy: -70.199 flat angles C4'-P-C4' energy: -69.372 flat angles P-C4'-P energy: -52.650 tors. eta vs tors. theta energy: -69.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -762.206270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.206270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.206270 (E_RNA) where: Base-Base interactions energy: -477.013 where: short stacking energy: -220.111 Base-Backbone interact. energy: -0.260 local terms energy: -284.933677 where: bonds (distance) C4'-P energy: -55.537 bonds (distance) P-C4' energy: -55.137 flat angles C4'-P-C4' energy: -70.762 flat angles P-C4'-P energy: -52.017 tors. eta vs tors. theta energy: -51.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -677.539218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.539218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.539218 (E_RNA) where: Base-Base interactions energy: -438.486 where: short stacking energy: -200.311 Base-Backbone interact. energy: -0.552 local terms energy: -238.500496 where: bonds (distance) C4'-P energy: -52.564 bonds (distance) P-C4' energy: -54.033 flat angles C4'-P-C4' energy: -59.648 flat angles P-C4'-P energy: -31.875 tors. eta vs tors. theta energy: -40.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -386.599499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.599499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.599499 (E_RNA) where: Base-Base interactions energy: -184.222 where: short stacking energy: -120.208 Base-Backbone interact. energy: -1.477 local terms energy: -200.900806 where: bonds (distance) C4'-P energy: -53.143 bonds (distance) P-C4' energy: -49.853 flat angles C4'-P-C4' energy: -54.076 flat angles P-C4'-P energy: -36.298 tors. eta vs tors. theta energy: -7.530 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: 2 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -503.188853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.188853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.188853 (E_RNA) where: Base-Base interactions energy: -293.196 where: short stacking energy: -153.733 Base-Backbone interact. energy: 5.639 local terms energy: -215.631997 where: bonds (distance) C4'-P energy: -42.716 bonds (distance) P-C4' energy: -57.828 flat angles C4'-P-C4' energy: -51.295 flat angles P-C4'-P energy: -29.838 tors. eta vs tors. theta energy: -33.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -463.661603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.661603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.661603 (E_RNA) where: Base-Base interactions energy: -269.447 where: short stacking energy: -111.099 Base-Backbone interact. energy: -0.647 local terms energy: -193.567637 where: bonds (distance) C4'-P energy: -58.058 bonds (distance) P-C4' energy: -48.920 flat angles C4'-P-C4' energy: -50.144 flat angles P-C4'-P energy: -37.691 tors. eta vs tors. theta energy: 1.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1149.291494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.291494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.291494 (E_RNA) where: Base-Base interactions energy: -802.374 where: short stacking energy: -334.431 Base-Backbone interact. energy: -0.483 local terms energy: -346.434081 where: bonds (distance) C4'-P energy: -59.434 bonds (distance) P-C4' energy: -71.531 flat angles C4'-P-C4' energy: -68.201 flat angles P-C4'-P energy: -52.173 tors. eta vs tors. theta energy: -95.095 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: 5 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1044.279364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.279364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.279364 (E_RNA) where: Base-Base interactions energy: -711.513 where: short stacking energy: -319.696 Base-Backbone interact. energy: -0.039 local terms energy: -332.726908 where: bonds (distance) C4'-P energy: -48.684 bonds (distance) P-C4' energy: -69.355 flat angles C4'-P-C4' energy: -65.087 flat angles P-C4'-P energy: -53.125 tors. eta vs tors. theta energy: -96.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1012.745885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.745885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.745885 (E_RNA) where: Base-Base interactions energy: -679.136 where: short stacking energy: -306.158 Base-Backbone interact. energy: -2.918 local terms energy: -330.692019 where: bonds (distance) C4'-P energy: -61.802 bonds (distance) P-C4' energy: -71.716 flat angles C4'-P-C4' energy: -67.504 flat angles P-C4'-P energy: -45.832 tors. eta vs tors. theta energy: -83.837 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: 4, replica: 10 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -983.147655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.147655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.147655 (E_RNA) where: Base-Base interactions energy: -658.216 where: short stacking energy: -279.097 Base-Backbone interact. energy: -1.425 local terms energy: -323.507331 where: bonds (distance) C4'-P energy: -62.623 bonds (distance) P-C4' energy: -70.900 flat angles C4'-P-C4' energy: -66.353 flat angles P-C4'-P energy: -44.730 tors. eta vs tors. theta energy: -78.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -904.486886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.486886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.486886 (E_RNA) where: Base-Base interactions energy: -596.002 where: short stacking energy: -270.534 Base-Backbone interact. energy: -0.022 local terms energy: -308.462824 where: bonds (distance) C4'-P energy: -49.609 bonds (distance) P-C4' energy: -67.662 flat angles C4'-P-C4' energy: -72.943 flat angles P-C4'-P energy: -47.549 tors. eta vs tors. theta energy: -70.700 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: 1 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -760.433563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.433563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.433563 (E_RNA) where: Base-Base interactions energy: -505.034 where: short stacking energy: -220.962 Base-Backbone interact. energy: -2.208 local terms energy: -253.192196 where: bonds (distance) C4'-P energy: -44.536 bonds (distance) P-C4' energy: -56.882 flat angles C4'-P-C4' energy: -60.119 flat angles P-C4'-P energy: -40.726 tors. eta vs tors. theta energy: -50.929 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: 9 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -693.002953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.002953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.002953 (E_RNA) where: Base-Base interactions energy: -438.951 where: short stacking energy: -202.915 Base-Backbone interact. energy: -0.265 local terms energy: -253.787658 where: bonds (distance) C4'-P energy: -51.349 bonds (distance) P-C4' energy: -65.568 flat angles C4'-P-C4' energy: -54.798 flat angles P-C4'-P energy: -29.111 tors. eta vs tors. theta energy: -52.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -544.304181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.304181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.304181 (E_RNA) where: Base-Base interactions energy: -331.721 where: short stacking energy: -150.432 Base-Backbone interact. energy: -1.560 local terms energy: -211.023388 where: bonds (distance) C4'-P energy: -50.335 bonds (distance) P-C4' energy: -53.007 flat angles C4'-P-C4' energy: -47.060 flat angles P-C4'-P energy: -35.699 tors. eta vs tors. theta energy: -24.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -384.418740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.418740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.418740 (E_RNA) where: Base-Base interactions energy: -188.329 where: short stacking energy: -110.170 Base-Backbone interact. energy: -1.311 local terms energy: -194.778624 where: bonds (distance) C4'-P energy: -61.412 bonds (distance) P-C4' energy: -54.543 flat angles C4'-P-C4' energy: -42.543 flat angles P-C4'-P energy: -34.465 tors. eta vs tors. theta energy: -1.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -509.308453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.308453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.308453 (E_RNA) where: Base-Base interactions energy: -310.741 where: short stacking energy: -139.956 Base-Backbone interact. energy: -1.530 local terms energy: -197.038023 where: bonds (distance) C4'-P energy: -51.144 bonds (distance) P-C4' energy: -57.131 flat angles C4'-P-C4' energy: -47.875 flat angles P-C4'-P energy: -25.748 tors. eta vs tors. theta energy: -15.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1139.270843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.270843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.270843 (E_RNA) where: Base-Base interactions energy: -772.742 where: short stacking energy: -349.513 Base-Backbone interact. energy: -0.916 local terms energy: -365.612731 where: bonds (distance) C4'-P energy: -59.757 bonds (distance) P-C4' energy: -73.095 flat angles C4'-P-C4' energy: -71.366 flat angles P-C4'-P energy: -57.832 tors. eta vs tors. theta energy: -103.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1048.874299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.874299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.874299 (E_RNA) where: Base-Base interactions energy: -709.849 where: short stacking energy: -320.028 Base-Backbone interact. energy: -1.615 local terms energy: -337.409536 where: bonds (distance) C4'-P energy: -65.582 bonds (distance) P-C4' energy: -71.171 flat angles C4'-P-C4' energy: -72.451 flat angles P-C4'-P energy: -41.520 tors. eta vs tors. theta energy: -86.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -998.534201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.534201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.534201 (E_RNA) where: Base-Base interactions energy: -676.225 where: short stacking energy: -313.244 Base-Backbone interact. energy: 3.319 local terms energy: -325.628836 where: bonds (distance) C4'-P energy: -60.193 bonds (distance) P-C4' energy: -57.379 flat angles C4'-P-C4' energy: -72.077 flat angles P-C4'-P energy: -44.584 tors. eta vs tors. theta energy: -91.396 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: 10 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -974.660559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.660559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.660559 (E_RNA) where: Base-Base interactions energy: -650.366 where: short stacking energy: -273.999 Base-Backbone interact. energy: -1.749 local terms energy: -322.545223 where: bonds (distance) C4'-P energy: -62.695 bonds (distance) P-C4' energy: -57.909 flat angles C4'-P-C4' energy: -70.461 flat angles P-C4'-P energy: -49.974 tors. eta vs tors. theta energy: -81.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -863.129627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.129627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.129627 (E_RNA) where: Base-Base interactions energy: -573.532 where: short stacking energy: -248.279 Base-Backbone interact. energy: -0.514 local terms energy: -289.083578 where: bonds (distance) C4'-P energy: -65.708 bonds (distance) P-C4' energy: -53.692 flat angles C4'-P-C4' energy: -63.268 flat angles P-C4'-P energy: -45.592 tors. eta vs tors. theta energy: -60.824 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: 1 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -818.965113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.965113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.965113 (E_RNA) where: Base-Base interactions energy: -539.622 where: short stacking energy: -254.612 Base-Backbone interact. energy: -0.878 local terms energy: -278.464747 where: bonds (distance) C4'-P energy: -56.722 bonds (distance) P-C4' energy: -55.641 flat angles C4'-P-C4' energy: -69.732 flat angles P-C4'-P energy: -35.630 tors. eta vs tors. theta energy: -60.740 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: 7, replica: 9 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -734.686431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.686431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.686431 (E_RNA) where: Base-Base interactions energy: -483.561 where: short stacking energy: -223.988 Base-Backbone interact. energy: -0.938 local terms energy: -250.187405 where: bonds (distance) C4'-P energy: -60.124 bonds (distance) P-C4' energy: -52.740 flat angles C4'-P-C4' energy: -52.611 flat angles P-C4'-P energy: -32.482 tors. eta vs tors. theta energy: -52.231 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: 2 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -534.903620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.903620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.903620 (E_RNA) where: Base-Base interactions energy: -310.392 where: short stacking energy: -166.020 Base-Backbone interact. energy: -0.058 local terms energy: -224.453264 where: bonds (distance) C4'-P energy: -52.077 bonds (distance) P-C4' energy: -57.628 flat angles C4'-P-C4' energy: -55.711 flat angles P-C4'-P energy: -20.113 tors. eta vs tors. theta energy: -38.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -474.335770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.335770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.335770 (E_RNA) where: Base-Base interactions energy: -282.945 where: short stacking energy: -130.696 Base-Backbone interact. energy: -2.460 local terms energy: -188.930399 where: bonds (distance) C4'-P energy: -50.539 bonds (distance) P-C4' energy: -53.820 flat angles C4'-P-C4' energy: -45.875 flat angles P-C4'-P energy: -33.130 tors. eta vs tors. theta energy: -5.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -386.623952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.623952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.623952 (E_RNA) where: Base-Base interactions energy: -171.653 where: short stacking energy: -118.068 Base-Backbone interact. energy: -0.727 local terms energy: -214.244058 where: bonds (distance) C4'-P energy: -56.927 bonds (distance) P-C4' energy: -50.070 flat angles C4'-P-C4' energy: -63.368 flat angles P-C4'-P energy: -35.439 tors. eta vs tors. theta energy: -8.440 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: 1, replica: 6 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1131.076527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.076527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.076527 (E_RNA) where: Base-Base interactions energy: -788.305 where: short stacking energy: -352.282 Base-Backbone interact. energy: -0.285 local terms energy: -342.486603 where: bonds (distance) C4'-P energy: -49.725 bonds (distance) P-C4' energy: -65.662 flat angles C4'-P-C4' energy: -73.815 flat angles P-C4'-P energy: -49.065 tors. eta vs tors. theta energy: -104.219 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: 5 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1032.429925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.429925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.429925 (E_RNA) where: Base-Base interactions energy: -688.664 where: short stacking energy: -295.299 Base-Backbone interact. energy: -2.151 local terms energy: -341.615029 where: bonds (distance) C4'-P energy: -65.449 bonds (distance) P-C4' energy: -67.880 flat angles C4'-P-C4' energy: -79.066 flat angles P-C4'-P energy: -47.893 tors. eta vs tors. theta energy: -81.327 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: 3 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -992.822965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.822965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.822965 (E_RNA) where: Base-Base interactions energy: -674.920 where: short stacking energy: -303.641 Base-Backbone interact. energy: -0.956 local terms energy: -316.946645 where: bonds (distance) C4'-P energy: -56.934 bonds (distance) P-C4' energy: -63.218 flat angles C4'-P-C4' energy: -73.462 flat angles P-C4'-P energy: -46.843 tors. eta vs tors. theta energy: -76.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -994.818382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.818382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.818382 (E_RNA) where: Base-Base interactions energy: -683.733 where: short stacking energy: -295.940 Base-Backbone interact. energy: -0.500 local terms energy: -310.585646 where: bonds (distance) C4'-P energy: -58.689 bonds (distance) P-C4' energy: -58.612 flat angles C4'-P-C4' energy: -73.538 flat angles P-C4'-P energy: -42.955 tors. eta vs tors. theta energy: -76.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -887.692709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.692709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.692709 (E_RNA) where: Base-Base interactions energy: -591.060 where: short stacking energy: -249.053 Base-Backbone interact. energy: 0.598 local terms energy: -297.231053 where: bonds (distance) C4'-P energy: -54.778 bonds (distance) P-C4' energy: -58.460 flat angles C4'-P-C4' energy: -70.423 flat angles P-C4'-P energy: -46.136 tors. eta vs tors. theta energy: -67.435 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: 1 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -747.438769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.438769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.438769 (E_RNA) where: Base-Base interactions energy: -494.248 where: short stacking energy: -217.769 Base-Backbone interact. energy: -2.584 local terms energy: -250.607196 where: bonds (distance) C4'-P energy: -45.964 bonds (distance) P-C4' energy: -64.133 flat angles C4'-P-C4' energy: -53.156 flat angles P-C4'-P energy: -38.702 tors. eta vs tors. theta energy: -48.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -741.245243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.245243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.245243 (E_RNA) where: Base-Base interactions energy: -469.232 where: short stacking energy: -194.562 Base-Backbone interact. energy: 0.343 local terms energy: -272.356236 where: bonds (distance) C4'-P energy: -57.196 bonds (distance) P-C4' energy: -65.284 flat angles C4'-P-C4' energy: -48.131 flat angles P-C4'-P energy: -52.530 tors. eta vs tors. theta energy: -49.216 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: 107 Temperature: 1.250000 Total energy: -551.464521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.464521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.464521 (E_RNA) where: Base-Base interactions energy: -343.595 where: short stacking energy: -160.477 Base-Backbone interact. energy: -2.682 local terms energy: -205.187452 where: bonds (distance) C4'-P energy: -60.290 bonds (distance) P-C4' energy: -51.218 flat angles C4'-P-C4' energy: -50.037 flat angles P-C4'-P energy: -20.400 tors. eta vs tors. theta energy: -23.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -527.703118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.703118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.703118 (E_RNA) where: Base-Base interactions energy: -294.498 where: short stacking energy: -161.243 Base-Backbone interact. energy: 3.630 local terms energy: -236.835564 where: bonds (distance) C4'-P energy: -43.403 bonds (distance) P-C4' energy: -51.864 flat angles C4'-P-C4' energy: -57.283 flat angles P-C4'-P energy: -41.684 tors. eta vs tors. theta energy: -42.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -368.564820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.564820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.564820 (E_RNA) where: Base-Base interactions energy: -159.827 where: short stacking energy: -106.525 Base-Backbone interact. energy: -2.037 local terms energy: -206.700659 where: bonds (distance) C4'-P energy: -56.949 bonds (distance) P-C4' energy: -65.761 flat angles C4'-P-C4' energy: -58.297 flat angles P-C4'-P energy: -21.074 tors. eta vs tors. theta energy: -4.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1139.073932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.073932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.073932 (E_RNA) where: Base-Base interactions energy: -779.599 where: short stacking energy: -347.950 Base-Backbone interact. energy: -1.258 local terms energy: -358.216908 where: bonds (distance) C4'-P energy: -56.617 bonds (distance) P-C4' energy: -72.555 flat angles C4'-P-C4' energy: -78.275 flat angles P-C4'-P energy: -49.522 tors. eta vs tors. theta energy: -101.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1041.376154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.376154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.376154 (E_RNA) where: Base-Base interactions energy: -720.314 where: short stacking energy: -294.316 Base-Backbone interact. energy: -1.482 local terms energy: -319.580089 where: bonds (distance) C4'-P energy: -59.827 bonds (distance) P-C4' energy: -60.853 flat angles C4'-P-C4' energy: -72.144 flat angles P-C4'-P energy: -49.272 tors. eta vs tors. theta energy: -77.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -998.083556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.083556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.083556 (E_RNA) where: Base-Base interactions energy: -671.746 where: short stacking energy: -289.561 Base-Backbone interact. energy: 0.932 local terms energy: -327.269118 where: bonds (distance) C4'-P energy: -60.042 bonds (distance) P-C4' energy: -63.405 flat angles C4'-P-C4' energy: -69.676 flat angles P-C4'-P energy: -41.940 tors. eta vs tors. theta energy: -92.206 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: 10 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1048.424750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.424750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.424750 (E_RNA) where: Base-Base interactions energy: -734.239 where: short stacking energy: -298.189 Base-Backbone interact. energy: -0.508 local terms energy: -313.677558 where: bonds (distance) C4'-P energy: -58.851 bonds (distance) P-C4' energy: -60.529 flat angles C4'-P-C4' energy: -74.012 flat angles P-C4'-P energy: -32.035 tors. eta vs tors. theta energy: -88.251 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: 1 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -797.656020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.656020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.656020 (E_RNA) where: Base-Base interactions energy: -513.768 where: short stacking energy: -247.438 Base-Backbone interact. energy: 1.385 local terms energy: -285.273163 where: bonds (distance) C4'-P energy: -55.623 bonds (distance) P-C4' energy: -56.408 flat angles C4'-P-C4' energy: -65.296 flat angles P-C4'-P energy: -42.521 tors. eta vs tors. theta energy: -65.425 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: 6, replica: 8 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -887.316872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.316872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.316872 (E_RNA) where: Base-Base interactions energy: -597.985 where: short stacking energy: -260.517 Base-Backbone interact. energy: -1.121 local terms energy: -288.210719 where: bonds (distance) C4'-P energy: -56.792 bonds (distance) P-C4' energy: -59.491 flat angles C4'-P-C4' energy: -67.635 flat angles P-C4'-P energy: -43.017 tors. eta vs tors. theta energy: -61.275 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: 7, replica: 9 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -784.663484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.663484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.663484 (E_RNA) where: Base-Base interactions energy: -528.736 where: short stacking energy: -207.937 Base-Backbone interact. energy: 4.013 local terms energy: -259.940064 where: bonds (distance) C4'-P energy: -49.539 bonds (distance) P-C4' energy: -60.825 flat angles C4'-P-C4' energy: -67.394 flat angles P-C4'-P energy: -39.880 tors. eta vs tors. theta energy: -42.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -594.618747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.618747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.618747 (E_RNA) where: Base-Base interactions energy: -364.710 where: short stacking energy: -167.913 Base-Backbone interact. energy: -0.796 local terms energy: -229.112859 where: bonds (distance) C4'-P energy: -54.455 bonds (distance) P-C4' energy: -61.892 flat angles C4'-P-C4' energy: -51.437 flat angles P-C4'-P energy: -31.566 tors. eta vs tors. theta energy: -29.763 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: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -505.040982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.040982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.040982 (E_RNA) where: Base-Base interactions energy: -292.629 where: short stacking energy: -173.168 Base-Backbone interact. energy: 0.747 local terms energy: -213.159065 where: bonds (distance) C4'-P energy: -46.911 bonds (distance) P-C4' energy: -53.700 flat angles C4'-P-C4' energy: -60.245 flat angles P-C4'-P energy: -29.381 tors. eta vs tors. theta energy: -22.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -345.726358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.726358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.726358 (E_RNA) where: Base-Base interactions energy: -173.296 where: short stacking energy: -91.663 Base-Backbone interact. energy: -0.687 local terms energy: -171.743239 where: bonds (distance) C4'-P energy: -45.558 bonds (distance) P-C4' energy: -56.643 flat angles C4'-P-C4' energy: -53.060 flat angles P-C4'-P energy: -23.551 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: 1, replica: 6 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1133.490513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.490513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.490513 (E_RNA) where: Base-Base interactions energy: -781.553 where: short stacking energy: -342.147 Base-Backbone interact. energy: -1.344 local terms energy: -350.593926 where: bonds (distance) C4'-P energy: -69.707 bonds (distance) P-C4' energy: -64.882 flat angles C4'-P-C4' energy: -72.820 flat angles P-C4'-P energy: -44.448 tors. eta vs tors. theta energy: -98.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1071.851694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.851694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.851694 (E_RNA) where: Base-Base interactions energy: -733.490 where: short stacking energy: -309.357 Base-Backbone interact. energy: 0.185 local terms energy: -338.546707 where: bonds (distance) C4'-P energy: -74.258 bonds (distance) P-C4' energy: -64.992 flat angles C4'-P-C4' energy: -73.864 flat angles P-C4'-P energy: -43.037 tors. eta vs tors. theta energy: -82.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -984.781880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.781880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.781880 (E_RNA) where: Base-Base interactions energy: -661.775 where: short stacking energy: -289.930 Base-Backbone interact. energy: -1.342 local terms energy: -321.665186 where: bonds (distance) C4'-P energy: -61.386 bonds (distance) P-C4' energy: -64.500 flat angles C4'-P-C4' energy: -66.888 flat angles P-C4'-P energy: -44.212 tors. eta vs tors. theta energy: -84.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1062.806674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.806674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.806674 (E_RNA) where: Base-Base interactions energy: -739.903 where: short stacking energy: -301.023 Base-Backbone interact. energy: -1.270 local terms energy: -321.633417 where: bonds (distance) C4'-P energy: -52.483 bonds (distance) P-C4' energy: -64.063 flat angles C4'-P-C4' energy: -67.539 flat angles P-C4'-P energy: -50.087 tors. eta vs tors. theta energy: -87.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -829.796607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.796607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.796607 (E_RNA) where: Base-Base interactions energy: -548.393 where: short stacking energy: -259.324 Base-Backbone interact. energy: -2.299 local terms energy: -279.104775 where: bonds (distance) C4'-P energy: -54.974 bonds (distance) P-C4' energy: -55.745 flat angles C4'-P-C4' energy: -66.404 flat angles P-C4'-P energy: -38.336 tors. eta vs tors. theta energy: -63.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -881.797576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.797576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.797576 (E_RNA) where: Base-Base interactions energy: -591.098 where: short stacking energy: -267.015 Base-Backbone interact. energy: 1.900 local terms energy: -292.599473 where: bonds (distance) C4'-P energy: -43.596 bonds (distance) P-C4' energy: -63.832 flat angles C4'-P-C4' energy: -63.322 flat angles P-C4'-P energy: -49.750 tors. eta vs tors. theta energy: -72.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -772.120935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.120935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.120935 (E_RNA) where: Base-Base interactions energy: -530.845 where: short stacking energy: -229.286 Base-Backbone interact. energy: 0.552 local terms energy: -241.828357 where: bonds (distance) C4'-P energy: -50.417 bonds (distance) P-C4' energy: -47.313 flat angles C4'-P-C4' energy: -60.512 flat angles P-C4'-P energy: -31.868 tors. eta vs tors. theta energy: -51.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -589.554270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.554270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.554270 (E_RNA) where: Base-Base interactions energy: -375.451 where: short stacking energy: -160.291 Base-Backbone interact. energy: 3.232 local terms energy: -217.335484 where: bonds (distance) C4'-P energy: -51.855 bonds (distance) P-C4' energy: -57.825 flat angles C4'-P-C4' energy: -44.777 flat angles P-C4'-P energy: -33.734 tors. eta vs tors. theta energy: -29.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -508.844670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.844670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.844670 (E_RNA) where: Base-Base interactions energy: -295.037 where: short stacking energy: -169.711 Base-Backbone interact. energy: 0.430 local terms energy: -214.238160 where: bonds (distance) C4'-P energy: -50.255 bonds (distance) P-C4' energy: -54.787 flat angles C4'-P-C4' energy: -53.862 flat angles P-C4'-P energy: -24.936 tors. eta vs tors. theta energy: -30.396 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: 10, replica: 7 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -357.298677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.298677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.298677 (E_RNA) where: Base-Base interactions energy: -191.920 where: short stacking energy: -113.480 Base-Backbone interact. energy: 1.493 local terms energy: -166.871781 where: bonds (distance) C4'-P energy: -43.786 bonds (distance) P-C4' energy: -63.702 flat angles C4'-P-C4' energy: -48.158 flat angles P-C4'-P energy: -9.544 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: 6 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1101.730828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.730828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.730828 (E_RNA) where: Base-Base interactions energy: -767.673 where: short stacking energy: -340.911 Base-Backbone interact. energy: -1.007 local terms energy: -333.050693 where: bonds (distance) C4'-P energy: -53.718 bonds (distance) P-C4' energy: -62.627 flat angles C4'-P-C4' energy: -77.840 flat angles P-C4'-P energy: -44.060 tors. eta vs tors. theta energy: -94.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1051.661523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.661523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.661523 (E_RNA) where: Base-Base interactions energy: -710.339 where: short stacking energy: -303.564 Base-Backbone interact. energy: 0.651 local terms energy: -341.973908 where: bonds (distance) C4'-P energy: -66.948 bonds (distance) P-C4' energy: -61.871 flat angles C4'-P-C4' energy: -75.869 flat angles P-C4'-P energy: -49.649 tors. eta vs tors. theta energy: -87.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1073.053169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.053169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.053169 (E_RNA) where: Base-Base interactions energy: -743.786 where: short stacking energy: -302.712 Base-Backbone interact. energy: -0.570 local terms energy: -328.697758 where: bonds (distance) C4'-P energy: -61.101 bonds (distance) P-C4' energy: -56.547 flat angles C4'-P-C4' energy: -77.200 flat angles P-C4'-P energy: -46.409 tors. eta vs tors. theta energy: -87.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -990.083331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.083331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.083331 (E_RNA) where: Base-Base interactions energy: -665.920 where: short stacking energy: -293.345 Base-Backbone interact. energy: -1.444 local terms energy: -322.718961 where: bonds (distance) C4'-P energy: -56.566 bonds (distance) P-C4' energy: -62.743 flat angles C4'-P-C4' energy: -66.113 flat angles P-C4'-P energy: -47.555 tors. eta vs tors. theta energy: -89.742 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: 5, replica: 8 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -924.183291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.183291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.183291 (E_RNA) where: Base-Base interactions energy: -641.822 where: short stacking energy: -278.847 Base-Backbone interact. energy: -1.691 local terms energy: -280.671183 where: bonds (distance) C4'-P energy: -49.655 bonds (distance) P-C4' energy: -54.213 flat angles C4'-P-C4' energy: -51.015 flat angles P-C4'-P energy: -50.267 tors. eta vs tors. theta energy: -75.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -820.216892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.216892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.216892 (E_RNA) where: Base-Base interactions energy: -549.696 where: short stacking energy: -242.916 Base-Backbone interact. energy: 1.815 local terms energy: -272.335429 where: bonds (distance) C4'-P energy: -60.535 bonds (distance) P-C4' energy: -60.610 flat angles C4'-P-C4' energy: -57.130 flat angles P-C4'-P energy: -26.309 tors. eta vs tors. theta energy: -67.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -750.723647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.723647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.723647 (E_RNA) where: Base-Base interactions energy: -488.212 where: short stacking energy: -196.592 Base-Backbone interact. energy: 2.271 local terms energy: -264.782927 where: bonds (distance) C4'-P energy: -59.169 bonds (distance) P-C4' energy: -59.128 flat angles C4'-P-C4' energy: -60.441 flat angles P-C4'-P energy: -38.668 tors. eta vs tors. theta energy: -47.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -631.489846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.489846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.489846 (E_RNA) where: Base-Base interactions energy: -395.871 where: short stacking energy: -168.110 Base-Backbone interact. energy: -1.010 local terms energy: -234.608467 where: bonds (distance) C4'-P energy: -52.730 bonds (distance) P-C4' energy: -61.613 flat angles C4'-P-C4' energy: -56.219 flat angles P-C4'-P energy: -34.380 tors. eta vs tors. theta energy: -29.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -552.195429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.195429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.195429 (E_RNA) where: Base-Base interactions energy: -313.850 where: short stacking energy: -167.745 Base-Backbone interact. energy: 0.403 local terms energy: -238.748337 where: bonds (distance) C4'-P energy: -53.024 bonds (distance) P-C4' energy: -62.068 flat angles C4'-P-C4' energy: -51.258 flat angles P-C4'-P energy: -32.943 tors. eta vs tors. theta energy: -39.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -368.908617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.908617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.908617 (E_RNA) where: Base-Base interactions energy: -176.765 where: short stacking energy: -103.908 Base-Backbone interact. energy: -1.703 local terms energy: -190.440450 where: bonds (distance) C4'-P energy: -56.572 bonds (distance) P-C4' energy: -58.043 flat angles C4'-P-C4' energy: -45.357 flat angles P-C4'-P energy: -32.880 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: 1, replica: 6 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1109.384646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.384646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.384646 (E_RNA) where: Base-Base interactions energy: -770.285 where: short stacking energy: -335.804 Base-Backbone interact. energy: -1.747 local terms energy: -337.352743 where: bonds (distance) C4'-P energy: -57.281 bonds (distance) P-C4' energy: -65.600 flat angles C4'-P-C4' energy: -71.951 flat angles P-C4'-P energy: -45.136 tors. eta vs tors. theta energy: -97.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1102.926291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.926291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.926291 (E_RNA) where: Base-Base interactions energy: -754.563 where: short stacking energy: -318.291 Base-Backbone interact. energy: -0.625 local terms energy: -347.738109 where: bonds (distance) C4'-P energy: -67.299 bonds (distance) P-C4' energy: -69.187 flat angles C4'-P-C4' energy: -69.226 flat angles P-C4'-P energy: -57.708 tors. eta vs tors. theta energy: -84.319 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: 3, replica: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1036.075489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.075489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.075489 (E_RNA) where: Base-Base interactions energy: -711.622 where: short stacking energy: -291.838 Base-Backbone interact. energy: -1.527 local terms energy: -322.927140 where: bonds (distance) C4'-P energy: -62.756 bonds (distance) P-C4' energy: -68.598 flat angles C4'-P-C4' energy: -65.133 flat angles P-C4'-P energy: -49.473 tors. eta vs tors. theta energy: -76.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -968.064186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.064186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.064186 (E_RNA) where: Base-Base interactions energy: -650.818 where: short stacking energy: -273.049 Base-Backbone interact. energy: -1.257 local terms energy: -315.989202 where: bonds (distance) C4'-P energy: -50.988 bonds (distance) P-C4' energy: -63.964 flat angles C4'-P-C4' energy: -70.670 flat angles P-C4'-P energy: -48.166 tors. eta vs tors. theta energy: -82.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -949.944005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.944005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.944005 (E_RNA) where: Base-Base interactions energy: -640.309 where: short stacking energy: -277.424 Base-Backbone interact. energy: -0.208 local terms energy: -309.427127 where: bonds (distance) C4'-P energy: -61.137 bonds (distance) P-C4' energy: -52.931 flat angles C4'-P-C4' energy: -67.366 flat angles P-C4'-P energy: -46.143 tors. eta vs tors. theta energy: -81.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -795.405074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.405074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.405074 (E_RNA) where: Base-Base interactions energy: -509.751 where: short stacking energy: -233.189 Base-Backbone interact. energy: -2.163 local terms energy: -283.491145 where: bonds (distance) C4'-P energy: -52.554 bonds (distance) P-C4' energy: -66.040 flat angles C4'-P-C4' energy: -66.933 flat angles P-C4'-P energy: -34.194 tors. eta vs tors. theta energy: -63.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -734.880600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.880600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.880600 (E_RNA) where: Base-Base interactions energy: -516.611 where: short stacking energy: -228.695 Base-Backbone interact. energy: -2.819 local terms energy: -215.450783 where: bonds (distance) C4'-P energy: -43.767 bonds (distance) P-C4' energy: -52.908 flat angles C4'-P-C4' energy: -48.642 flat angles P-C4'-P energy: -25.687 tors. eta vs tors. theta energy: -44.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -683.770935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.770935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.770935 (E_RNA) where: Base-Base interactions energy: -434.853 where: short stacking energy: -194.533 Base-Backbone interact. energy: -1.136 local terms energy: -247.781900 where: bonds (distance) C4'-P energy: -57.957 bonds (distance) P-C4' energy: -53.096 flat angles C4'-P-C4' energy: -64.340 flat angles P-C4'-P energy: -30.787 tors. eta vs tors. theta energy: -41.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -516.813408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.813408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.813408 (E_RNA) where: Base-Base interactions energy: -302.647 where: short stacking energy: -164.661 Base-Backbone interact. energy: -1.810 local terms energy: -212.356182 where: bonds (distance) C4'-P energy: -48.482 bonds (distance) P-C4' energy: -39.779 flat angles C4'-P-C4' energy: -57.188 flat angles P-C4'-P energy: -33.578 tors. eta vs tors. theta energy: -33.329 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: 111 Temperature: 1.350000 Total energy: -359.897652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.897652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.897652 (E_RNA) where: Base-Base interactions energy: -167.090 where: short stacking energy: -103.128 Base-Backbone interact. energy: 0.455 local terms energy: -193.262716 where: bonds (distance) C4'-P energy: -43.798 bonds (distance) P-C4' energy: -47.662 flat angles C4'-P-C4' energy: -56.099 flat angles P-C4'-P energy: -40.580 tors. eta vs tors. theta energy: -5.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1123.208912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.208912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.208912 (E_RNA) where: Base-Base interactions energy: -761.335 where: short stacking energy: -336.967 Base-Backbone interact. energy: 1.035 local terms energy: -362.909114 where: bonds (distance) C4'-P energy: -59.853 bonds (distance) P-C4' energy: -64.922 flat angles C4'-P-C4' energy: -79.124 flat angles P-C4'-P energy: -48.793 tors. eta vs tors. theta energy: -110.218 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: 112 Temperature: 0.950000 Total energy: -1105.288000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.288000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.288000 (E_RNA) where: Base-Base interactions energy: -771.734 where: short stacking energy: -315.956 Base-Backbone interact. energy: 1.637 local terms energy: -335.190715 where: bonds (distance) C4'-P energy: -61.209 bonds (distance) P-C4' energy: -61.397 flat angles C4'-P-C4' energy: -74.926 flat angles P-C4'-P energy: -46.571 tors. eta vs tors. theta energy: -91.087 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: 3, replica: 3 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1001.583371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.583371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.583371 (E_RNA) where: Base-Base interactions energy: -665.006 where: short stacking energy: -291.382 Base-Backbone interact. energy: 2.700 local terms energy: -339.277444 where: bonds (distance) C4'-P energy: -64.508 bonds (distance) P-C4' energy: -69.970 flat angles C4'-P-C4' energy: -70.409 flat angles P-C4'-P energy: -44.660 tors. eta vs tors. theta energy: -89.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -997.087886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.087886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.087886 (E_RNA) where: Base-Base interactions energy: -682.793 where: short stacking energy: -275.313 Base-Backbone interact. energy: -1.539 local terms energy: -312.756109 where: bonds (distance) C4'-P energy: -58.085 bonds (distance) P-C4' energy: -70.148 flat angles C4'-P-C4' energy: -60.983 flat angles P-C4'-P energy: -50.854 tors. eta vs tors. theta energy: -72.687 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: 8 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -962.653751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.653751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.653751 (E_RNA) where: Base-Base interactions energy: -657.510 where: short stacking energy: -288.339 Base-Backbone interact. energy: 0.314 local terms energy: -305.458619 where: bonds (distance) C4'-P energy: -67.237 bonds (distance) P-C4' energy: -66.140 flat angles C4'-P-C4' energy: -61.727 flat angles P-C4'-P energy: -39.844 tors. eta vs tors. theta energy: -70.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -814.720998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.720998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.720998 (E_RNA) where: Base-Base interactions energy: -511.928 where: short stacking energy: -254.750 Base-Backbone interact. energy: 0.398 local terms energy: -303.190968 where: bonds (distance) C4'-P energy: -65.279 bonds (distance) P-C4' energy: -71.950 flat angles C4'-P-C4' energy: -65.329 flat angles P-C4'-P energy: -31.156 tors. eta vs tors. theta energy: -69.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -650.319348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.319348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.319348 (E_RNA) where: Base-Base interactions energy: -403.394 where: short stacking energy: -179.523 Base-Backbone interact. energy: -0.835 local terms energy: -246.090854 where: bonds (distance) C4'-P energy: -60.192 bonds (distance) P-C4' energy: -58.818 flat angles C4'-P-C4' energy: -50.640 flat angles P-C4'-P energy: -37.314 tors. eta vs tors. theta energy: -39.126 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: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -697.321247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.321247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.321247 (E_RNA) where: Base-Base interactions energy: -461.823 where: short stacking energy: -198.262 Base-Backbone interact. energy: 0.066 local terms energy: -235.564321 where: bonds (distance) C4'-P energy: -53.132 bonds (distance) P-C4' energy: -57.580 flat angles C4'-P-C4' energy: -54.579 flat angles P-C4'-P energy: -32.860 tors. eta vs tors. theta energy: -37.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -546.685609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.685609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.685609 (E_RNA) where: Base-Base interactions energy: -315.295 where: short stacking energy: -154.820 Base-Backbone interact. energy: -0.781 local terms energy: -230.609434 where: bonds (distance) C4'-P energy: -56.247 bonds (distance) P-C4' energy: -66.481 flat angles C4'-P-C4' energy: -49.735 flat angles P-C4'-P energy: -22.125 tors. eta vs tors. theta energy: -36.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -367.183325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.183325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.183325 (E_RNA) where: Base-Base interactions energy: -176.728 where: short stacking energy: -93.605 Base-Backbone interact. energy: -0.530 local terms energy: -189.925156 where: bonds (distance) C4'-P energy: -56.185 bonds (distance) P-C4' energy: -53.699 flat angles C4'-P-C4' energy: -52.510 flat angles P-C4'-P energy: -30.195 tors. eta vs tors. theta energy: 2.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1131.992553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.992553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.992553 (E_RNA) where: Base-Base interactions energy: -777.017 where: short stacking energy: -319.314 Base-Backbone interact. energy: -0.544 local terms energy: -354.432001 where: bonds (distance) C4'-P energy: -68.351 bonds (distance) P-C4' energy: -69.966 flat angles C4'-P-C4' energy: -74.550 flat angles P-C4'-P energy: -42.630 tors. eta vs tors. theta energy: -98.935 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: 113 Temperature: 0.950000 Total energy: -1078.579028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.579028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.579028 (E_RNA) where: Base-Base interactions energy: -746.918 where: short stacking energy: -300.196 Base-Backbone interact. energy: 0.711 local terms energy: -332.371576 where: bonds (distance) C4'-P energy: -68.285 bonds (distance) P-C4' energy: -63.833 flat angles C4'-P-C4' energy: -72.412 flat angles P-C4'-P energy: -40.714 tors. eta vs tors. theta energy: -87.128 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: 3 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1027.080338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.080338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.080338 (E_RNA) where: Base-Base interactions energy: -711.486 where: short stacking energy: -304.336 Base-Backbone interact. energy: 1.486 local terms energy: -317.079796 where: bonds (distance) C4'-P energy: -52.547 bonds (distance) P-C4' energy: -56.351 flat angles C4'-P-C4' energy: -63.138 flat angles P-C4'-P energy: -52.379 tors. eta vs tors. theta energy: -92.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -999.599038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.599038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.599038 (E_RNA) where: Base-Base interactions energy: -697.335 where: short stacking energy: -292.992 Base-Backbone interact. energy: 5.147 local terms energy: -307.410341 where: bonds (distance) C4'-P energy: -69.534 bonds (distance) P-C4' energy: -63.432 flat angles C4'-P-C4' energy: -59.556 flat angles P-C4'-P energy: -36.044 tors. eta vs tors. theta energy: -78.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -953.453311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.453311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.453311 (E_RNA) where: Base-Base interactions energy: -641.686 where: short stacking energy: -259.844 Base-Backbone interact. energy: -3.961 local terms energy: -307.806150 where: bonds (distance) C4'-P energy: -68.502 bonds (distance) P-C4' energy: -61.831 flat angles C4'-P-C4' energy: -58.950 flat angles P-C4'-P energy: -43.726 tors. eta vs tors. theta energy: -74.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -785.928463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.928463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.928463 (E_RNA) where: Base-Base interactions energy: -508.708 where: short stacking energy: -218.289 Base-Backbone interact. energy: 0.632 local terms energy: -277.853176 where: bonds (distance) C4'-P energy: -55.952 bonds (distance) P-C4' energy: -63.500 flat angles C4'-P-C4' energy: -64.391 flat angles P-C4'-P energy: -37.946 tors. eta vs tors. theta energy: -56.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -689.185338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.185338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.185338 (E_RNA) where: Base-Base interactions energy: -444.454 where: short stacking energy: -211.113 Base-Backbone interact. energy: -1.855 local terms energy: -242.876327 where: bonds (distance) C4'-P energy: -54.280 bonds (distance) P-C4' energy: -55.189 flat angles C4'-P-C4' energy: -57.144 flat angles P-C4'-P energy: -40.282 tors. eta vs tors. theta energy: -35.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -678.366390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.366390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.366390 (E_RNA) where: Base-Base interactions energy: -443.878 where: short stacking energy: -207.789 Base-Backbone interact. energy: -1.669 local terms energy: -232.819299 where: bonds (distance) C4'-P energy: -54.619 bonds (distance) P-C4' energy: -52.858 flat angles C4'-P-C4' energy: -56.639 flat angles P-C4'-P energy: -20.940 tors. eta vs tors. theta energy: -47.763 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: 2 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -633.330268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.330268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.330268 (E_RNA) where: Base-Base interactions energy: -392.907 where: short stacking energy: -188.196 Base-Backbone interact. energy: -0.085 local terms energy: -240.337928 where: bonds (distance) C4'-P energy: -67.212 bonds (distance) P-C4' energy: -51.570 flat angles C4'-P-C4' energy: -64.464 flat angles P-C4'-P energy: -35.721 tors. eta vs tors. theta energy: -21.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -362.094182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.094182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.094182 (E_RNA) where: Base-Base interactions energy: -187.273 where: short stacking energy: -96.472 Base-Backbone interact. energy: -1.117 local terms energy: -173.703617 where: bonds (distance) C4'-P energy: -50.034 bonds (distance) P-C4' energy: -47.194 flat angles C4'-P-C4' energy: -37.967 flat angles P-C4'-P energy: -35.293 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: 1, replica: 6 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1150.424940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.424940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.424940 (E_RNA) where: Base-Base interactions energy: -799.393 where: short stacking energy: -339.625 Base-Backbone interact. energy: -1.812 local terms energy: -349.220524 where: bonds (distance) C4'-P energy: -74.331 bonds (distance) P-C4' energy: -65.353 flat angles C4'-P-C4' energy: -69.455 flat angles P-C4'-P energy: -46.898 tors. eta vs tors. theta energy: -93.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1076.140312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.140312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.140312 (E_RNA) where: Base-Base interactions energy: -737.129 where: short stacking energy: -307.431 Base-Backbone interact. energy: -1.354 local terms energy: -337.656796 where: bonds (distance) C4'-P energy: -64.528 bonds (distance) P-C4' energy: -65.155 flat angles C4'-P-C4' energy: -69.053 flat angles P-C4'-P energy: -43.138 tors. eta vs tors. theta energy: -95.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -982.352695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.352695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.352695 (E_RNA) where: Base-Base interactions energy: -667.279 where: short stacking energy: -297.536 Base-Backbone interact. energy: -1.525 local terms energy: -313.548543 where: bonds (distance) C4'-P energy: -65.618 bonds (distance) P-C4' energy: -59.264 flat angles C4'-P-C4' energy: -67.583 flat angles P-C4'-P energy: -31.490 tors. eta vs tors. theta energy: -89.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -986.302809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.302809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.302809 (E_RNA) where: Base-Base interactions energy: -666.868 where: short stacking energy: -293.864 Base-Backbone interact. energy: -0.860 local terms energy: -318.574550 where: bonds (distance) C4'-P energy: -59.172 bonds (distance) P-C4' energy: -60.495 flat angles C4'-P-C4' energy: -70.955 flat angles P-C4'-P energy: -41.892 tors. eta vs tors. theta energy: -86.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -947.354309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.354309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.354309 (E_RNA) where: Base-Base interactions energy: -652.163 where: short stacking energy: -285.920 Base-Backbone interact. energy: -1.872 local terms energy: -293.319908 where: bonds (distance) C4'-P energy: -40.583 bonds (distance) P-C4' energy: -67.242 flat angles C4'-P-C4' energy: -71.874 flat angles P-C4'-P energy: -39.080 tors. eta vs tors. theta energy: -74.541 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: 114 Temperature: 1.150000 Total energy: -815.142449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.142449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.142449 (E_RNA) where: Base-Base interactions energy: -535.665 where: short stacking energy: -244.390 Base-Backbone interact. energy: -0.091 local terms energy: -279.386525 where: bonds (distance) C4'-P energy: -60.485 bonds (distance) P-C4' energy: -60.904 flat angles C4'-P-C4' energy: -50.417 flat angles P-C4'-P energy: -40.200 tors. eta vs tors. theta energy: -67.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -778.807559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.807559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.807559 (E_RNA) where: Base-Base interactions energy: -518.678 where: short stacking energy: -227.185 Base-Backbone interact. energy: -1.926 local terms energy: -258.204150 where: bonds (distance) C4'-P energy: -37.842 bonds (distance) P-C4' energy: -63.360 flat angles C4'-P-C4' energy: -58.454 flat angles P-C4'-P energy: -43.010 tors. eta vs tors. theta energy: -55.538 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: 114 Temperature: 1.250000 Total energy: -637.542042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.542042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.542042 (E_RNA) where: Base-Base interactions energy: -413.205 where: short stacking energy: -182.880 Base-Backbone interact. energy: -1.760 local terms energy: -222.577477 where: bonds (distance) C4'-P energy: -58.858 bonds (distance) P-C4' energy: -51.082 flat angles C4'-P-C4' energy: -60.352 flat angles P-C4'-P energy: -27.319 tors. eta vs tors. theta energy: -24.966 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: 2 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -665.104185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.104185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.104185 (E_RNA) where: Base-Base interactions energy: -440.450 where: short stacking energy: -205.225 Base-Backbone interact. energy: 0.084 local terms energy: -224.737754 where: bonds (distance) C4'-P energy: -48.588 bonds (distance) P-C4' energy: -37.745 flat angles C4'-P-C4' energy: -63.084 flat angles P-C4'-P energy: -32.689 tors. eta vs tors. theta energy: -42.632 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: 7 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -355.225646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.225646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.225646 (E_RNA) where: Base-Base interactions energy: -168.100 where: short stacking energy: -102.536 Base-Backbone interact. energy: 1.047 local terms energy: -188.173034 where: bonds (distance) C4'-P energy: -48.419 bonds (distance) P-C4' energy: -61.078 flat angles C4'-P-C4' energy: -36.884 flat angles P-C4'-P energy: -38.892 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: 6 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1122.646672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.646672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.646672 (E_RNA) where: Base-Base interactions energy: -776.702 where: short stacking energy: -333.429 Base-Backbone interact. energy: -0.680 local terms energy: -345.264894 where: bonds (distance) C4'-P energy: -59.673 bonds (distance) P-C4' energy: -68.993 flat angles C4'-P-C4' energy: -69.374 flat angles P-C4'-P energy: -48.379 tors. eta vs tors. theta energy: -98.845 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: 115 Temperature: 0.950000 Total energy: -1090.516622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.516622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.516622 (E_RNA) where: Base-Base interactions energy: -751.960 where: short stacking energy: -322.609 Base-Backbone interact. energy: -0.451 local terms energy: -338.105474 where: bonds (distance) C4'-P energy: -68.791 bonds (distance) P-C4' energy: -58.772 flat angles C4'-P-C4' energy: -67.974 flat angles P-C4'-P energy: -45.485 tors. eta vs tors. theta energy: -97.083 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: 3 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1035.229839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.229839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.229839 (E_RNA) where: Base-Base interactions energy: -699.661 where: short stacking energy: -304.945 Base-Backbone interact. energy: -1.649 local terms energy: -333.919528 where: bonds (distance) C4'-P energy: -58.981 bonds (distance) P-C4' energy: -60.828 flat angles C4'-P-C4' energy: -78.476 flat angles P-C4'-P energy: -45.604 tors. eta vs tors. theta energy: -90.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -969.516137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.516137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.516137 (E_RNA) where: Base-Base interactions energy: -658.050 where: short stacking energy: -280.625 Base-Backbone interact. energy: -1.845 local terms energy: -309.621208 where: bonds (distance) C4'-P energy: -62.841 bonds (distance) P-C4' energy: -59.332 flat angles C4'-P-C4' energy: -70.545 flat angles P-C4'-P energy: -45.894 tors. eta vs tors. theta energy: -71.009 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: 5, replica: 8 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -961.977366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.977366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.977366 (E_RNA) where: Base-Base interactions energy: -657.259 where: short stacking energy: -309.940 Base-Backbone interact. energy: -1.599 local terms energy: -303.119988 where: bonds (distance) C4'-P energy: -59.827 bonds (distance) P-C4' energy: -63.509 flat angles C4'-P-C4' energy: -66.873 flat angles P-C4'-P energy: -32.282 tors. eta vs tors. theta energy: -80.630 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: 6, replica: 9 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -803.496495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.496495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.496495 (E_RNA) where: Base-Base interactions energy: -530.144 where: short stacking energy: -227.744 Base-Backbone interact. energy: -1.577 local terms energy: -271.775856 where: bonds (distance) C4'-P energy: -58.386 bonds (distance) P-C4' energy: -59.498 flat angles C4'-P-C4' energy: -59.756 flat angles P-C4'-P energy: -38.222 tors. eta vs tors. theta energy: -55.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -767.071886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.071886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.071886 (E_RNA) where: Base-Base interactions energy: -482.404 where: short stacking energy: -240.763 Base-Backbone interact. energy: -0.343 local terms energy: -284.325197 where: bonds (distance) C4'-P energy: -49.377 bonds (distance) P-C4' energy: -60.225 flat angles C4'-P-C4' energy: -64.056 flat angles P-C4'-P energy: -45.344 tors. eta vs tors. theta energy: -65.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -615.583877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.583877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.583877 (E_RNA) where: Base-Base interactions energy: -394.292 where: short stacking energy: -180.861 Base-Backbone interact. energy: -1.575 local terms energy: -219.717432 where: bonds (distance) C4'-P energy: -51.446 bonds (distance) P-C4' energy: -61.055 flat angles C4'-P-C4' energy: -49.243 flat angles P-C4'-P energy: -26.459 tors. eta vs tors. theta energy: -31.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -659.922541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.922541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.922541 (E_RNA) where: Base-Base interactions energy: -416.052 where: short stacking energy: -189.528 Base-Backbone interact. energy: -1.493 local terms energy: -242.376823 where: bonds (distance) C4'-P energy: -54.239 bonds (distance) P-C4' energy: -62.606 flat angles C4'-P-C4' energy: -60.039 flat angles P-C4'-P energy: -33.933 tors. eta vs tors. theta energy: -31.559 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: 7 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -365.046108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.046108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.046108 (E_RNA) where: Base-Base interactions energy: -177.661 where: short stacking energy: -103.874 Base-Backbone interact. energy: 0.252 local terms energy: -187.636922 where: bonds (distance) C4'-P energy: -54.788 bonds (distance) P-C4' energy: -58.701 flat angles C4'-P-C4' energy: -44.028 flat angles P-C4'-P energy: -29.684 tors. eta vs tors. theta energy: -0.436 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: 10 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1132.890176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.890176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.890176 (E_RNA) where: Base-Base interactions energy: -784.379 where: short stacking energy: -332.205 Base-Backbone interact. energy: -1.968 local terms energy: -346.543840 where: bonds (distance) C4'-P energy: -61.986 bonds (distance) P-C4' energy: -60.141 flat angles C4'-P-C4' energy: -78.256 flat angles P-C4'-P energy: -46.954 tors. eta vs tors. theta energy: -99.206 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: 6 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1085.629584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.629584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.629584 (E_RNA) where: Base-Base interactions energy: -746.446 where: short stacking energy: -306.379 Base-Backbone interact. energy: -1.571 local terms energy: -337.612419 where: bonds (distance) C4'-P energy: -53.771 bonds (distance) P-C4' energy: -70.677 flat angles C4'-P-C4' energy: -73.418 flat angles P-C4'-P energy: -49.024 tors. eta vs tors. theta energy: -90.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1016.143943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.143943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.143943 (E_RNA) where: Base-Base interactions energy: -690.449 where: short stacking energy: -306.414 Base-Backbone interact. energy: 1.141 local terms energy: -326.836016 where: bonds (distance) C4'-P energy: -61.100 bonds (distance) P-C4' energy: -66.381 flat angles C4'-P-C4' energy: -68.942 flat angles P-C4'-P energy: -42.228 tors. eta vs tors. theta energy: -88.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -975.128282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.128282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.128282 (E_RNA) where: Base-Base interactions energy: -667.596 where: short stacking energy: -276.644 Base-Backbone interact. energy: -1.100 local terms energy: -306.431643 where: bonds (distance) C4'-P energy: -68.040 bonds (distance) P-C4' energy: -68.757 flat angles C4'-P-C4' energy: -47.169 flat angles P-C4'-P energy: -51.318 tors. eta vs tors. theta energy: -71.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -955.108755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.108755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.108755 (E_RNA) where: Base-Base interactions energy: -662.277 where: short stacking energy: -296.112 Base-Backbone interact. energy: -1.532 local terms energy: -291.299960 where: bonds (distance) C4'-P energy: -55.446 bonds (distance) P-C4' energy: -50.012 flat angles C4'-P-C4' energy: -59.253 flat angles P-C4'-P energy: -42.244 tors. eta vs tors. theta energy: -84.345 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: 9 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -828.425428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.425428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.425428 (E_RNA) where: Base-Base interactions energy: -542.941 where: short stacking energy: -241.458 Base-Backbone interact. energy: -2.544 local terms energy: -282.940557 where: bonds (distance) C4'-P energy: -57.104 bonds (distance) P-C4' energy: -65.847 flat angles C4'-P-C4' energy: -56.729 flat angles P-C4'-P energy: -31.276 tors. eta vs tors. theta energy: -71.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -714.464108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.464108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.464108 (E_RNA) where: Base-Base interactions energy: -452.407 where: short stacking energy: -206.686 Base-Backbone interact. energy: -0.016 local terms energy: -262.041304 where: bonds (distance) C4'-P energy: -63.917 bonds (distance) P-C4' energy: -55.662 flat angles C4'-P-C4' energy: -60.301 flat angles P-C4'-P energy: -29.052 tors. eta vs tors. theta energy: -53.108 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: 4 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -558.313307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.313307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.313307 (E_RNA) where: Base-Base interactions energy: -332.885 where: short stacking energy: -147.586 Base-Backbone interact. energy: -2.170 local terms energy: -223.258138 where: bonds (distance) C4'-P energy: -52.300 bonds (distance) P-C4' energy: -54.586 flat angles C4'-P-C4' energy: -54.729 flat angles P-C4'-P energy: -25.105 tors. eta vs tors. theta energy: -36.538 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: 2 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -658.016172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.016172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.016172 (E_RNA) where: Base-Base interactions energy: -393.749 where: short stacking energy: -185.221 Base-Backbone interact. energy: -1.440 local terms energy: -262.827731 where: bonds (distance) C4'-P energy: -40.858 bonds (distance) P-C4' energy: -73.664 flat angles C4'-P-C4' energy: -69.842 flat angles P-C4'-P energy: -36.379 tors. eta vs tors. theta energy: -42.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -355.479270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.479270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.479270 (E_RNA) where: Base-Base interactions energy: -179.943 where: short stacking energy: -89.553 Base-Backbone interact. energy: 0.113 local terms energy: -175.649341 where: bonds (distance) C4'-P energy: -45.519 bonds (distance) P-C4' energy: -69.340 flat angles C4'-P-C4' energy: -44.588 flat angles P-C4'-P energy: -23.335 tors. eta vs tors. theta energy: 7.131 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: 10 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1144.793847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.793847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.793847 (E_RNA) where: Base-Base interactions energy: -788.579 where: short stacking energy: -336.220 Base-Backbone interact. energy: -0.680 local terms energy: -355.535161 where: bonds (distance) C4'-P energy: -70.104 bonds (distance) P-C4' energy: -72.405 flat angles C4'-P-C4' energy: -75.308 flat angles P-C4'-P energy: -43.339 tors. eta vs tors. theta energy: -94.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1079.236666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.236666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.236666 (E_RNA) where: Base-Base interactions energy: -730.882 where: short stacking energy: -313.827 Base-Backbone interact. energy: -1.062 local terms energy: -347.293024 where: bonds (distance) C4'-P energy: -61.724 bonds (distance) P-C4' energy: -70.465 flat angles C4'-P-C4' energy: -72.326 flat angles P-C4'-P energy: -44.974 tors. eta vs tors. theta energy: -97.805 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: 3 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -983.876525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.876525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.876525 (E_RNA) where: Base-Base interactions energy: -675.181 where: short stacking energy: -289.275 Base-Backbone interact. energy: -2.052 local terms energy: -306.643718 where: bonds (distance) C4'-P energy: -51.927 bonds (distance) P-C4' energy: -53.208 flat angles C4'-P-C4' energy: -74.431 flat angles P-C4'-P energy: -47.839 tors. eta vs tors. theta energy: -79.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -954.726452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.726452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.726452 (E_RNA) where: Base-Base interactions energy: -640.909 where: short stacking energy: -286.612 Base-Backbone interact. energy: 3.191 local terms energy: -317.007733 where: bonds (distance) C4'-P energy: -59.778 bonds (distance) P-C4' energy: -56.005 flat angles C4'-P-C4' energy: -66.253 flat angles P-C4'-P energy: -49.841 tors. eta vs tors. theta energy: -85.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -924.780952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.780952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.780952 (E_RNA) where: Base-Base interactions energy: -634.849 where: short stacking energy: -277.215 Base-Backbone interact. energy: 0.219 local terms energy: -290.150770 where: bonds (distance) C4'-P energy: -57.563 bonds (distance) P-C4' energy: -59.148 flat angles C4'-P-C4' energy: -64.175 flat angles P-C4'-P energy: -42.321 tors. eta vs tors. theta energy: -66.942 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: 9 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -841.279398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.279398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.279398 (E_RNA) where: Base-Base interactions energy: -545.158 where: short stacking energy: -255.561 Base-Backbone interact. energy: -0.651 local terms energy: -295.470319 where: bonds (distance) C4'-P energy: -49.730 bonds (distance) P-C4' energy: -66.163 flat angles C4'-P-C4' energy: -68.131 flat angles P-C4'-P energy: -34.016 tors. eta vs tors. theta energy: -77.430 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: 1 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -744.430948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.430948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.430948 (E_RNA) where: Base-Base interactions energy: -478.166 where: short stacking energy: -216.002 Base-Backbone interact. energy: -2.905 local terms energy: -263.360469 where: bonds (distance) C4'-P energy: -61.233 bonds (distance) P-C4' energy: -64.059 flat angles C4'-P-C4' energy: -48.539 flat angles P-C4'-P energy: -37.642 tors. eta vs tors. theta energy: -51.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -629.986476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.986476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.986476 (E_RNA) where: Base-Base interactions energy: -387.516 where: short stacking energy: -177.193 Base-Backbone interact. energy: -0.986 local terms energy: -241.484182 where: bonds (distance) C4'-P energy: -53.158 bonds (distance) P-C4' energy: -63.062 flat angles C4'-P-C4' energy: -58.724 flat angles P-C4'-P energy: -34.134 tors. eta vs tors. theta energy: -32.405 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: 9, replica: 4 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -543.968007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.968007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.968007 (E_RNA) where: Base-Base interactions energy: -299.083 where: short stacking energy: -169.048 Base-Backbone interact. energy: -1.218 local terms energy: -243.666731 where: bonds (distance) C4'-P energy: -52.687 bonds (distance) P-C4' energy: -66.192 flat angles C4'-P-C4' energy: -60.441 flat angles P-C4'-P energy: -32.035 tors. eta vs tors. theta energy: -32.311 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: 10, replica: 7 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -344.065438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.065438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.065438 (E_RNA) where: Base-Base interactions energy: -160.550 where: short stacking energy: -102.553 Base-Backbone interact. energy: 1.430 local terms energy: -184.944837 where: bonds (distance) C4'-P energy: -60.407 bonds (distance) P-C4' energy: -51.571 flat angles C4'-P-C4' energy: -47.201 flat angles P-C4'-P energy: -28.757 tors. eta vs tors. theta energy: 2.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1142.962921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.962921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.962921 (E_RNA) where: Base-Base interactions energy: -801.684 where: short stacking energy: -331.769 Base-Backbone interact. energy: -2.174 local terms energy: -339.104224 where: bonds (distance) C4'-P energy: -63.798 bonds (distance) P-C4' energy: -66.078 flat angles C4'-P-C4' energy: -67.504 flat angles P-C4'-P energy: -49.475 tors. eta vs tors. theta energy: -92.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1092.385154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.385154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.385154 (E_RNA) where: Base-Base interactions energy: -746.306 where: short stacking energy: -315.472 Base-Backbone interact. energy: -1.975 local terms energy: -344.104114 where: bonds (distance) C4'-P energy: -66.198 bonds (distance) P-C4' energy: -66.242 flat angles C4'-P-C4' energy: -69.766 flat angles P-C4'-P energy: -46.845 tors. eta vs tors. theta energy: -95.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1026.462596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.462596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.462596 (E_RNA) where: Base-Base interactions energy: -698.597 where: short stacking energy: -315.851 Base-Backbone interact. energy: -1.711 local terms energy: -326.154602 where: bonds (distance) C4'-P energy: -57.538 bonds (distance) P-C4' energy: -61.781 flat angles C4'-P-C4' energy: -68.526 flat angles P-C4'-P energy: -44.410 tors. eta vs tors. theta energy: -93.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -974.996846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.996846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.996846 (E_RNA) where: Base-Base interactions energy: -661.601 where: short stacking energy: -280.765 Base-Backbone interact. energy: 0.570 local terms energy: -313.965964 where: bonds (distance) C4'-P energy: -59.478 bonds (distance) P-C4' energy: -54.567 flat angles C4'-P-C4' energy: -69.695 flat angles P-C4'-P energy: -52.699 tors. eta vs tors. theta energy: -77.527 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: 5 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -946.535839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.535839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.535839 (E_RNA) where: Base-Base interactions energy: -626.005 where: short stacking energy: -271.623 Base-Backbone interact. energy: -0.918 local terms energy: -319.612937 where: bonds (distance) C4'-P energy: -60.929 bonds (distance) P-C4' energy: -65.676 flat angles C4'-P-C4' energy: -65.291 flat angles P-C4'-P energy: -44.838 tors. eta vs tors. theta energy: -82.880 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: 6, replica: 9 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -824.074651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.074651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.074651 (E_RNA) where: Base-Base interactions energy: -537.293 where: short stacking energy: -253.334 Base-Backbone interact. energy: -1.353 local terms energy: -285.428592 where: bonds (distance) C4'-P energy: -52.565 bonds (distance) P-C4' energy: -66.755 flat angles C4'-P-C4' energy: -64.669 flat angles P-C4'-P energy: -38.763 tors. eta vs tors. theta energy: -62.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -777.478335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.478335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.478335 (E_RNA) where: Base-Base interactions energy: -521.776 where: short stacking energy: -221.745 Base-Backbone interact. energy: -0.152 local terms energy: -255.550255 where: bonds (distance) C4'-P energy: -55.811 bonds (distance) P-C4' energy: -47.601 flat angles C4'-P-C4' energy: -58.489 flat angles P-C4'-P energy: -50.045 tors. eta vs tors. theta energy: -43.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -630.038639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.038639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.038639 (E_RNA) where: Base-Base interactions energy: -386.181 where: short stacking energy: -180.043 Base-Backbone interact. energy: -1.055 local terms energy: -242.803104 where: bonds (distance) C4'-P energy: -52.645 bonds (distance) P-C4' energy: -71.781 flat angles C4'-P-C4' energy: -55.077 flat angles P-C4'-P energy: -36.882 tors. eta vs tors. theta energy: -26.419 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: 4 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -542.581472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.581472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.581472 (E_RNA) where: Base-Base interactions energy: -322.282 where: short stacking energy: -146.021 Base-Backbone interact. energy: -0.589 local terms energy: -219.710596 where: bonds (distance) C4'-P energy: -57.074 bonds (distance) P-C4' energy: -61.853 flat angles C4'-P-C4' energy: -53.210 flat angles P-C4'-P energy: -25.184 tors. eta vs tors. theta energy: -22.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -353.467605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.467605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.467605 (E_RNA) where: Base-Base interactions energy: -184.814 where: short stacking energy: -113.777 Base-Backbone interact. energy: 0.503 local terms energy: -169.156820 where: bonds (distance) C4'-P energy: -41.996 bonds (distance) P-C4' energy: -49.567 flat angles C4'-P-C4' energy: -48.124 flat angles P-C4'-P energy: -20.390 tors. eta vs tors. theta energy: -9.080 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: 10 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1151.635997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.635997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.635997 (E_RNA) where: Base-Base interactions energy: -802.816 where: short stacking energy: -338.386 Base-Backbone interact. energy: -0.616 local terms energy: -348.203382 where: bonds (distance) C4'-P energy: -61.167 bonds (distance) P-C4' energy: -68.258 flat angles C4'-P-C4' energy: -70.686 flat angles P-C4'-P energy: -53.435 tors. eta vs tors. theta energy: -94.657 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: 6 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1093.606898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.606898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.606898 (E_RNA) where: Base-Base interactions energy: -753.957 where: short stacking energy: -320.745 Base-Backbone interact. energy: -2.514 local terms energy: -337.136236 where: bonds (distance) C4'-P energy: -56.426 bonds (distance) P-C4' energy: -63.952 flat angles C4'-P-C4' energy: -70.964 flat angles P-C4'-P energy: -50.504 tors. eta vs tors. theta energy: -95.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1022.872220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.872220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.872220 (E_RNA) where: Base-Base interactions energy: -687.020 where: short stacking energy: -309.657 Base-Backbone interact. energy: -2.556 local terms energy: -333.295857 where: bonds (distance) C4'-P energy: -66.562 bonds (distance) P-C4' energy: -63.215 flat angles C4'-P-C4' energy: -74.047 flat angles P-C4'-P energy: -33.631 tors. eta vs tors. theta energy: -95.842 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: 8 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -980.726516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.726516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.726516 (E_RNA) where: Base-Base interactions energy: -666.583 where: short stacking energy: -291.317 Base-Backbone interact. energy: -0.337 local terms energy: -313.806759 where: bonds (distance) C4'-P energy: -57.446 bonds (distance) P-C4' energy: -61.571 flat angles C4'-P-C4' energy: -72.700 flat angles P-C4'-P energy: -46.880 tors. eta vs tors. theta energy: -75.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -939.573860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.573860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.573860 (E_RNA) where: Base-Base interactions energy: -637.989 where: short stacking energy: -271.830 Base-Backbone interact. energy: -1.001 local terms energy: -300.583904 where: bonds (distance) C4'-P energy: -57.585 bonds (distance) P-C4' energy: -59.107 flat angles C4'-P-C4' energy: -66.489 flat angles P-C4'-P energy: -40.780 tors. eta vs tors. theta energy: -76.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -775.357000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.357000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.357000 (E_RNA) where: Base-Base interactions energy: -508.751 where: short stacking energy: -219.947 Base-Backbone interact. energy: -0.937 local terms energy: -265.669296 where: bonds (distance) C4'-P energy: -56.544 bonds (distance) P-C4' energy: -53.000 flat angles C4'-P-C4' energy: -63.186 flat angles P-C4'-P energy: -43.075 tors. eta vs tors. theta energy: -49.863 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: 119 Temperature: 1.200000 Total energy: -803.771466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.771466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.771466 (E_RNA) where: Base-Base interactions energy: -552.157 where: short stacking energy: -255.108 Base-Backbone interact. energy: 1.542 local terms energy: -253.156113 where: bonds (distance) C4'-P energy: -48.036 bonds (distance) P-C4' energy: -53.577 flat angles C4'-P-C4' energy: -59.178 flat angles P-C4'-P energy: -28.212 tors. eta vs tors. theta energy: -64.153 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: 8, replica: 2 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -661.970747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.970747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.970747 (E_RNA) where: Base-Base interactions energy: -421.773 where: short stacking energy: -194.040 Base-Backbone interact. energy: 1.683 local terms energy: -241.880183 where: bonds (distance) C4'-P energy: -53.055 bonds (distance) P-C4' energy: -51.933 flat angles C4'-P-C4' energy: -66.892 flat angles P-C4'-P energy: -27.942 tors. eta vs tors. theta energy: -42.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -529.243004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.243004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.243004 (E_RNA) where: Base-Base interactions energy: -324.620 where: short stacking energy: -144.528 Base-Backbone interact. energy: -1.496 local terms energy: -203.126252 where: bonds (distance) C4'-P energy: -54.194 bonds (distance) P-C4' energy: -50.153 flat angles C4'-P-C4' energy: -50.557 flat angles P-C4'-P energy: -25.085 tors. eta vs tors. theta energy: -23.138 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: 7 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -338.957029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.957029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.957029 (E_RNA) where: Base-Base interactions energy: -155.341 where: short stacking energy: -110.745 Base-Backbone interact. energy: -1.819 local terms energy: -181.796372 where: bonds (distance) C4'-P energy: -53.487 bonds (distance) P-C4' energy: -58.089 flat angles C4'-P-C4' energy: -50.121 flat angles P-C4'-P energy: -10.095 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: 1, replica: 10 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1154.220655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.220655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.220655 (E_RNA) where: Base-Base interactions energy: -800.667 where: short stacking energy: -339.526 Base-Backbone interact. energy: -1.201 local terms energy: -352.351826 where: bonds (distance) C4'-P energy: -68.843 bonds (distance) P-C4' energy: -68.178 flat angles C4'-P-C4' energy: -70.321 flat angles P-C4'-P energy: -48.304 tors. eta vs tors. theta energy: -96.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1077.316925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.316925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.316925 (E_RNA) where: Base-Base interactions energy: -738.499 where: short stacking energy: -321.002 Base-Backbone interact. energy: -1.074 local terms energy: -337.743563 where: bonds (distance) C4'-P energy: -67.665 bonds (distance) P-C4' energy: -61.501 flat angles C4'-P-C4' energy: -67.716 flat angles P-C4'-P energy: -40.717 tors. eta vs tors. theta energy: -100.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1014.804671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.804671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.804671 (E_RNA) where: Base-Base interactions energy: -692.383 where: short stacking energy: -286.467 Base-Backbone interact. energy: -2.242 local terms energy: -320.179653 where: bonds (distance) C4'-P energy: -65.730 bonds (distance) P-C4' energy: -65.559 flat angles C4'-P-C4' energy: -67.568 flat angles P-C4'-P energy: -33.101 tors. eta vs tors. theta energy: -88.221 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: 4, replica: 3 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1003.189384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.189384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.189384 (E_RNA) where: Base-Base interactions energy: -682.149 where: short stacking energy: -307.696 Base-Backbone interact. energy: -1.666 local terms energy: -319.374488 where: bonds (distance) C4'-P energy: -63.804 bonds (distance) P-C4' energy: -47.709 flat angles C4'-P-C4' energy: -70.557 flat angles P-C4'-P energy: -44.904 tors. eta vs tors. theta energy: -92.401 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: 5, replica: 5 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -969.553081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.553081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.553081 (E_RNA) where: Base-Base interactions energy: -672.575 where: short stacking energy: -296.501 Base-Backbone interact. energy: -2.453 local terms energy: -294.524987 where: bonds (distance) C4'-P energy: -45.182 bonds (distance) P-C4' energy: -63.724 flat angles C4'-P-C4' energy: -58.452 flat angles P-C4'-P energy: -50.754 tors. eta vs tors. theta energy: -76.413 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: 120 Temperature: 1.150000 Total energy: -843.888243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.888243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.888243 (E_RNA) where: Base-Base interactions energy: -565.518 where: short stacking energy: -262.637 Base-Backbone interact. energy: 0.998 local terms energy: -279.368604 where: bonds (distance) C4'-P energy: -45.106 bonds (distance) P-C4' energy: -59.019 flat angles C4'-P-C4' energy: -66.803 flat angles P-C4'-P energy: -35.747 tors. eta vs tors. theta energy: -72.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -811.601187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.601187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.601187 (E_RNA) where: Base-Base interactions energy: -539.407 where: short stacking energy: -247.613 Base-Backbone interact. energy: -2.101 local terms energy: -270.092990 where: bonds (distance) C4'-P energy: -55.702 bonds (distance) P-C4' energy: -52.473 flat angles C4'-P-C4' energy: -59.191 flat angles P-C4'-P energy: -39.718 tors. eta vs tors. theta energy: -63.009 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: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -636.461490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.461490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.461490 (E_RNA) where: Base-Base interactions energy: -406.306 where: short stacking energy: -174.019 Base-Backbone interact. energy: -1.480 local terms energy: -228.675874 where: bonds (distance) C4'-P energy: -56.681 bonds (distance) P-C4' energy: -56.227 flat angles C4'-P-C4' energy: -47.614 flat angles P-C4'-P energy: -33.310 tors. eta vs tors. theta energy: -34.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -535.588806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.588806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.588806 (E_RNA) where: Base-Base interactions energy: -322.361 where: short stacking energy: -156.938 Base-Backbone interact. energy: -0.437 local terms energy: -212.791154 where: bonds (distance) C4'-P energy: -50.818 bonds (distance) P-C4' energy: -58.908 flat angles C4'-P-C4' energy: -50.938 flat angles P-C4'-P energy: -32.100 tors. eta vs tors. theta energy: -20.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -321.307776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.307776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.307776 (E_RNA) where: Base-Base interactions energy: -149.976 where: short stacking energy: -94.992 Base-Backbone interact. energy: 0.704 local terms energy: -172.035199 where: bonds (distance) C4'-P energy: -49.912 bonds (distance) P-C4' energy: -56.956 flat angles C4'-P-C4' energy: -44.487 flat angles P-C4'-P energy: -23.029 tors. eta vs tors. theta energy: 2.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1173.001917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.001917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.001917 (E_RNA) where: Base-Base interactions energy: -822.333 where: short stacking energy: -328.452 Base-Backbone interact. energy: -0.959 local terms energy: -349.709929 where: bonds (distance) C4'-P energy: -67.053 bonds (distance) P-C4' energy: -62.905 flat angles C4'-P-C4' energy: -70.090 flat angles P-C4'-P energy: -53.221 tors. eta vs tors. theta energy: -96.440 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: 2, replica: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1036.583284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.583284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.583284 (E_RNA) where: Base-Base interactions energy: -699.466 where: short stacking energy: -297.862 Base-Backbone interact. energy: -4.674 local terms energy: -332.442416 where: bonds (distance) C4'-P energy: -64.953 bonds (distance) P-C4' energy: -65.660 flat angles C4'-P-C4' energy: -65.830 flat angles P-C4'-P energy: -54.752 tors. eta vs tors. theta energy: -81.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1050.692936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.692936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.692936 (E_RNA) where: Base-Base interactions energy: -720.338 where: short stacking energy: -299.628 Base-Backbone interact. energy: -1.595 local terms energy: -328.759891 where: bonds (distance) C4'-P energy: -54.870 bonds (distance) P-C4' energy: -53.411 flat angles C4'-P-C4' energy: -67.996 flat angles P-C4'-P energy: -55.307 tors. eta vs tors. theta energy: -97.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -991.911564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.911564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.911564 (E_RNA) where: Base-Base interactions energy: -689.802 where: short stacking energy: -316.455 Base-Backbone interact. energy: -1.315 local terms energy: -300.794677 where: bonds (distance) C4'-P energy: -67.972 bonds (distance) P-C4' energy: -56.891 flat angles C4'-P-C4' energy: -60.163 flat angles P-C4'-P energy: -31.121 tors. eta vs tors. theta energy: -84.647 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: 121 Temperature: 1.100000 Total energy: -915.219452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.219452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.219452 (E_RNA) where: Base-Base interactions energy: -596.855 where: short stacking energy: -255.740 Base-Backbone interact. energy: -1.725 local terms energy: -316.640079 where: bonds (distance) C4'-P energy: -58.046 bonds (distance) P-C4' energy: -67.383 flat angles C4'-P-C4' energy: -65.269 flat angles P-C4'-P energy: -55.012 tors. eta vs tors. theta energy: -70.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -833.440816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.440816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.440816 (E_RNA) where: Base-Base interactions energy: -547.039 where: short stacking energy: -231.443 Base-Backbone interact. energy: 0.642 local terms energy: -287.043714 where: bonds (distance) C4'-P energy: -61.162 bonds (distance) P-C4' energy: -63.576 flat angles C4'-P-C4' energy: -67.969 flat angles P-C4'-P energy: -32.314 tors. eta vs tors. theta energy: -62.024 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: 1 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -757.938482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.938482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.938482 (E_RNA) where: Base-Base interactions energy: -501.660 where: short stacking energy: -224.135 Base-Backbone interact. energy: -0.505 local terms energy: -255.773240 where: bonds (distance) C4'-P energy: -53.067 bonds (distance) P-C4' energy: -50.776 flat angles C4'-P-C4' energy: -62.848 flat angles P-C4'-P energy: -35.506 tors. eta vs tors. theta energy: -53.575 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: 2 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -658.664204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.664204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.664204 (E_RNA) where: Base-Base interactions energy: -413.806 where: short stacking energy: -186.225 Base-Backbone interact. energy: 2.714 local terms energy: -247.572698 where: bonds (distance) C4'-P energy: -59.783 bonds (distance) P-C4' energy: -63.084 flat angles C4'-P-C4' energy: -58.225 flat angles P-C4'-P energy: -34.011 tors. eta vs tors. theta energy: -32.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -501.826959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.826959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.826959 (E_RNA) where: Base-Base interactions energy: -312.875 where: short stacking energy: -160.234 Base-Backbone interact. energy: -0.553 local terms energy: -188.398348 where: bonds (distance) C4'-P energy: -56.537 bonds (distance) P-C4' energy: -42.095 flat angles C4'-P-C4' energy: -37.997 flat angles P-C4'-P energy: -26.227 tors. eta vs tors. theta energy: -25.542 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: 121 Temperature: 1.350000 Total energy: -273.965622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.965622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.965622 (E_RNA) where: Base-Base interactions energy: -94.448 where: short stacking energy: -82.903 Base-Backbone interact. energy: 0.721 local terms energy: -180.237830 where: bonds (distance) C4'-P energy: -51.835 bonds (distance) P-C4' energy: -56.614 flat angles C4'-P-C4' energy: -44.957 flat angles P-C4'-P energy: -32.463 tors. eta vs tors. theta energy: 5.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1164.588507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.588507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.588507 (E_RNA) where: Base-Base interactions energy: -804.872 where: short stacking energy: -348.086 Base-Backbone interact. energy: -3.319 local terms energy: -356.397309 where: bonds (distance) C4'-P energy: -63.909 bonds (distance) P-C4' energy: -70.463 flat angles C4'-P-C4' energy: -73.925 flat angles P-C4'-P energy: -49.038 tors. eta vs tors. theta energy: -99.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1040.285731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.285731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.285731 (E_RNA) where: Base-Base interactions energy: -726.489 where: short stacking energy: -306.085 Base-Backbone interact. energy: -0.848 local terms energy: -312.948876 where: bonds (distance) C4'-P energy: -54.343 bonds (distance) P-C4' energy: -69.055 flat angles C4'-P-C4' energy: -67.631 flat angles P-C4'-P energy: -42.550 tors. eta vs tors. theta energy: -79.370 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: 5 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1020.990014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.990014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.990014 (E_RNA) where: Base-Base interactions energy: -697.445 where: short stacking energy: -311.296 Base-Backbone interact. energy: -1.730 local terms energy: -321.814824 where: bonds (distance) C4'-P energy: -60.627 bonds (distance) P-C4' energy: -56.777 flat angles C4'-P-C4' energy: -73.110 flat angles P-C4'-P energy: -47.290 tors. eta vs tors. theta energy: -84.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1010.585790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.585790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.585790 (E_RNA) where: Base-Base interactions energy: -665.790 where: short stacking energy: -306.449 Base-Backbone interact. energy: 0.537 local terms energy: -345.332628 where: bonds (distance) C4'-P energy: -65.479 bonds (distance) P-C4' energy: -65.746 flat angles C4'-P-C4' energy: -77.360 flat angles P-C4'-P energy: -44.130 tors. eta vs tors. theta energy: -92.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -910.362038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.362038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.362038 (E_RNA) where: Base-Base interactions energy: -604.560 where: short stacking energy: -267.415 Base-Backbone interact. energy: -1.695 local terms energy: -304.107459 where: bonds (distance) C4'-P energy: -52.161 bonds (distance) P-C4' energy: -61.755 flat angles C4'-P-C4' energy: -62.181 flat angles P-C4'-P energy: -46.555 tors. eta vs tors. theta energy: -81.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -848.200345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.200345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.200345 (E_RNA) where: Base-Base interactions energy: -570.876 where: short stacking energy: -239.530 Base-Backbone interact. energy: -1.408 local terms energy: -275.916927 where: bonds (distance) C4'-P energy: -50.296 bonds (distance) P-C4' energy: -58.877 flat angles C4'-P-C4' energy: -69.426 flat angles P-C4'-P energy: -39.268 tors. eta vs tors. theta energy: -58.049 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: 7, replica: 1 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -760.417248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.417248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.417248 (E_RNA) where: Base-Base interactions energy: -519.468 where: short stacking energy: -239.464 Base-Backbone interact. energy: 1.551 local terms energy: -242.499710 where: bonds (distance) C4'-P energy: -36.844 bonds (distance) P-C4' energy: -55.740 flat angles C4'-P-C4' energy: -59.269 flat angles P-C4'-P energy: -33.811 tors. eta vs tors. theta energy: -56.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -615.811899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.811899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.811899 (E_RNA) where: Base-Base interactions energy: -374.756 where: short stacking energy: -174.582 Base-Backbone interact. energy: -0.613 local terms energy: -240.443408 where: bonds (distance) C4'-P energy: -64.260 bonds (distance) P-C4' energy: -55.227 flat angles C4'-P-C4' energy: -65.970 flat angles P-C4'-P energy: -28.994 tors. eta vs tors. theta energy: -25.992 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: 4 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -538.699862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.699862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.699862 (E_RNA) where: Base-Base interactions energy: -319.606 where: short stacking energy: -148.448 Base-Backbone interact. energy: -1.371 local terms energy: -217.722881 where: bonds (distance) C4'-P energy: -57.998 bonds (distance) P-C4' energy: -63.085 flat angles C4'-P-C4' energy: -43.204 flat angles P-C4'-P energy: -27.796 tors. eta vs tors. theta energy: -25.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -284.930055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.930055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.930055 (E_RNA) where: Base-Base interactions energy: -118.580 where: short stacking energy: -96.003 Base-Backbone interact. energy: -0.264 local terms energy: -166.086379 where: bonds (distance) C4'-P energy: -44.142 bonds (distance) P-C4' energy: -60.449 flat angles C4'-P-C4' energy: -42.503 flat angles P-C4'-P energy: -20.630 tors. eta vs tors. theta energy: 1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1154.022279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.022279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.022279 (E_RNA) where: Base-Base interactions energy: -804.249 where: short stacking energy: -332.570 Base-Backbone interact. energy: -1.141 local terms energy: -348.632014 where: bonds (distance) C4'-P energy: -62.230 bonds (distance) P-C4' energy: -59.438 flat angles C4'-P-C4' energy: -77.661 flat angles P-C4'-P energy: -53.732 tors. eta vs tors. theta energy: -95.571 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: 5 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1069.419486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.419486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.419486 (E_RNA) where: Base-Base interactions energy: -726.668 where: short stacking energy: -326.311 Base-Backbone interact. energy: -0.544 local terms energy: -342.208277 where: bonds (distance) C4'-P energy: -60.277 bonds (distance) P-C4' energy: -68.871 flat angles C4'-P-C4' energy: -72.121 flat angles P-C4'-P energy: -49.006 tors. eta vs tors. theta energy: -91.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1037.185975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.185975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.185975 (E_RNA) where: Base-Base interactions energy: -707.027 where: short stacking energy: -293.689 Base-Backbone interact. energy: -0.387 local terms energy: -329.771964 where: bonds (distance) C4'-P energy: -61.940 bonds (distance) P-C4' energy: -67.459 flat angles C4'-P-C4' energy: -79.027 flat angles P-C4'-P energy: -45.146 tors. eta vs tors. theta energy: -76.201 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: 6 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1007.538177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.538177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.538177 (E_RNA) where: Base-Base interactions energy: -687.531 where: short stacking energy: -308.703 Base-Backbone interact. energy: -1.308 local terms energy: -318.699478 where: bonds (distance) C4'-P energy: -62.122 bonds (distance) P-C4' energy: -69.384 flat angles C4'-P-C4' energy: -70.551 flat angles P-C4'-P energy: -34.525 tors. eta vs tors. theta energy: -82.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -929.357605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.357605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.357605 (E_RNA) where: Base-Base interactions energy: -638.982 where: short stacking energy: -266.093 Base-Backbone interact. energy: 0.304 local terms energy: -290.678980 where: bonds (distance) C4'-P energy: -65.157 bonds (distance) P-C4' energy: -55.929 flat angles C4'-P-C4' energy: -62.624 flat angles P-C4'-P energy: -36.611 tors. eta vs tors. theta energy: -70.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -847.162553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.162553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.162553 (E_RNA) where: Base-Base interactions energy: -585.725 where: short stacking energy: -262.059 Base-Backbone interact. energy: -0.262 local terms energy: -261.175447 where: bonds (distance) C4'-P energy: -54.462 bonds (distance) P-C4' energy: -38.382 flat angles C4'-P-C4' energy: -66.791 flat angles P-C4'-P energy: -44.020 tors. eta vs tors. theta energy: -57.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -762.378540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.378540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.378540 (E_RNA) where: Base-Base interactions energy: -518.656 where: short stacking energy: -205.942 Base-Backbone interact. energy: -1.462 local terms energy: -242.260517 where: bonds (distance) C4'-P energy: -56.343 bonds (distance) P-C4' energy: -53.215 flat angles C4'-P-C4' energy: -52.599 flat angles P-C4'-P energy: -28.344 tors. eta vs tors. theta energy: -51.759 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: 2 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -611.375793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.375793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.375793 (E_RNA) where: Base-Base interactions energy: -384.077 where: short stacking energy: -181.330 Base-Backbone interact. energy: -0.800 local terms energy: -226.499466 where: bonds (distance) C4'-P energy: -60.925 bonds (distance) P-C4' energy: -55.820 flat angles C4'-P-C4' energy: -45.456 flat angles P-C4'-P energy: -28.541 tors. eta vs tors. theta energy: -35.757 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: 4 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -486.277697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.277697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.277697 (E_RNA) where: Base-Base interactions energy: -292.064 where: short stacking energy: -139.718 Base-Backbone interact. energy: 2.750 local terms energy: -196.963867 where: bonds (distance) C4'-P energy: -45.487 bonds (distance) P-C4' energy: -48.398 flat angles C4'-P-C4' energy: -57.235 flat angles P-C4'-P energy: -21.519 tors. eta vs tors. theta energy: -24.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -303.947549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.947549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.947549 (E_RNA) where: Base-Base interactions energy: -127.054 where: short stacking energy: -100.459 Base-Backbone interact. energy: 0.663 local terms energy: -177.556640 where: bonds (distance) C4'-P energy: -47.466 bonds (distance) P-C4' energy: -58.112 flat angles C4'-P-C4' energy: -52.193 flat angles P-C4'-P energy: -24.466 tors. eta vs tors. theta energy: 4.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1167.942229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.942229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.942229 (E_RNA) where: Base-Base interactions energy: -802.387 where: short stacking energy: -324.013 Base-Backbone interact. energy: -1.047 local terms energy: -364.508222 where: bonds (distance) C4'-P energy: -73.175 bonds (distance) P-C4' energy: -74.688 flat angles C4'-P-C4' energy: -75.880 flat angles P-C4'-P energy: -45.519 tors. eta vs tors. theta energy: -95.247 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: 124 Temperature: 0.950000 Total energy: -1061.624909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.624909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.624909 (E_RNA) where: Base-Base interactions energy: -712.342 where: short stacking energy: -330.400 Base-Backbone interact. energy: 0.290 local terms energy: -349.573758 where: bonds (distance) C4'-P energy: -62.422 bonds (distance) P-C4' energy: -68.809 flat angles C4'-P-C4' energy: -71.163 flat angles P-C4'-P energy: -51.866 tors. eta vs tors. theta energy: -95.313 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: 8 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1038.076684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.076684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.076684 (E_RNA) where: Base-Base interactions energy: -712.908 where: short stacking energy: -299.620 Base-Backbone interact. energy: -0.896 local terms energy: -324.272207 where: bonds (distance) C4'-P energy: -62.885 bonds (distance) P-C4' energy: -66.714 flat angles C4'-P-C4' energy: -67.670 flat angles P-C4'-P energy: -42.182 tors. eta vs tors. theta energy: -84.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1013.274984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.274984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.274984 (E_RNA) where: Base-Base interactions energy: -715.515 where: short stacking energy: -315.317 Base-Backbone interact. energy: 0.937 local terms energy: -298.696493 where: bonds (distance) C4'-P energy: -48.133 bonds (distance) P-C4' energy: -65.321 flat angles C4'-P-C4' energy: -60.816 flat angles P-C4'-P energy: -35.881 tors. eta vs tors. theta energy: -88.545 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: 5, replica: 3 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -894.359538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.359538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.359538 (E_RNA) where: Base-Base interactions energy: -611.264 where: short stacking energy: -269.463 Base-Backbone interact. energy: -2.101 local terms energy: -280.994572 where: bonds (distance) C4'-P energy: -54.937 bonds (distance) P-C4' energy: -51.917 flat angles C4'-P-C4' energy: -57.166 flat angles P-C4'-P energy: -39.492 tors. eta vs tors. theta energy: -77.483 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: 6, replica: 9 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -884.823812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.823812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.823812 (E_RNA) where: Base-Base interactions energy: -590.627 where: short stacking energy: -242.594 Base-Backbone interact. energy: -1.127 local terms energy: -293.070146 where: bonds (distance) C4'-P energy: -63.941 bonds (distance) P-C4' energy: -66.183 flat angles C4'-P-C4' energy: -57.478 flat angles P-C4'-P energy: -42.425 tors. eta vs tors. theta energy: -63.044 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: 7, replica: 2 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -677.224481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.224481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.224481 (E_RNA) where: Base-Base interactions energy: -434.059 where: short stacking energy: -202.711 Base-Backbone interact. energy: -0.910 local terms energy: -242.255517 where: bonds (distance) C4'-P energy: -46.313 bonds (distance) P-C4' energy: -55.294 flat angles C4'-P-C4' energy: -57.626 flat angles P-C4'-P energy: -42.912 tors. eta vs tors. theta energy: -40.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -597.634605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.634605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.634605 (E_RNA) where: Base-Base interactions energy: -368.585 where: short stacking energy: -161.003 Base-Backbone interact. energy: -2.481 local terms energy: -226.568244 where: bonds (distance) C4'-P energy: -62.153 bonds (distance) P-C4' energy: -60.699 flat angles C4'-P-C4' energy: -46.288 flat angles P-C4'-P energy: -37.903 tors. eta vs tors. theta energy: -19.526 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: 9, replica: 4 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -498.068851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.068851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.068851 (E_RNA) where: Base-Base interactions energy: -295.808 where: short stacking energy: -140.208 Base-Backbone interact. energy: -1.448 local terms energy: -200.813171 where: bonds (distance) C4'-P energy: -42.880 bonds (distance) P-C4' energy: -58.217 flat angles C4'-P-C4' energy: -42.173 flat angles P-C4'-P energy: -37.201 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: 10, replica: 7 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -291.363355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.363355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.363355 (E_RNA) where: Base-Base interactions energy: -108.821 where: short stacking energy: -97.976 Base-Backbone interact. energy: 7.374 local terms energy: -189.916633 where: bonds (distance) C4'-P energy: -39.545 bonds (distance) P-C4' energy: -66.780 flat angles C4'-P-C4' energy: -52.213 flat angles P-C4'-P energy: -33.164 tors. eta vs tors. theta energy: 1.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1136.208638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.208638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.208638 (E_RNA) where: Base-Base interactions energy: -794.371 where: short stacking energy: -333.458 Base-Backbone interact. energy: 0.961 local terms energy: -342.799092 where: bonds (distance) C4'-P energy: -71.847 bonds (distance) P-C4' energy: -62.460 flat angles C4'-P-C4' energy: -70.469 flat angles P-C4'-P energy: -44.262 tors. eta vs tors. theta energy: -93.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1064.545265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.545265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.545265 (E_RNA) where: Base-Base interactions energy: -723.872 where: short stacking energy: -327.250 Base-Backbone interact. energy: 2.608 local terms energy: -343.280878 where: bonds (distance) C4'-P energy: -60.771 bonds (distance) P-C4' energy: -69.702 flat angles C4'-P-C4' energy: -77.468 flat angles P-C4'-P energy: -43.836 tors. eta vs tors. theta energy: -91.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1047.590238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.590238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.590238 (E_RNA) where: Base-Base interactions energy: -718.401 where: short stacking energy: -309.978 Base-Backbone interact. energy: -1.790 local terms energy: -327.399001 where: bonds (distance) C4'-P energy: -57.866 bonds (distance) P-C4' energy: -66.533 flat angles C4'-P-C4' energy: -71.833 flat angles P-C4'-P energy: -46.069 tors. eta vs tors. theta energy: -85.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1006.259484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.259484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.259484 (E_RNA) where: Base-Base interactions energy: -683.848 where: short stacking energy: -284.383 Base-Backbone interact. energy: -0.892 local terms energy: -321.519757 where: bonds (distance) C4'-P energy: -56.780 bonds (distance) P-C4' energy: -58.576 flat angles C4'-P-C4' energy: -74.174 flat angles P-C4'-P energy: -47.195 tors. eta vs tors. theta energy: -84.796 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: 3 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -896.362402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.362402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.362402 (E_RNA) where: Base-Base interactions energy: -611.065 where: short stacking energy: -264.939 Base-Backbone interact. energy: -1.997 local terms energy: -283.300881 where: bonds (distance) C4'-P energy: -54.033 bonds (distance) P-C4' energy: -62.748 flat angles C4'-P-C4' energy: -56.774 flat angles P-C4'-P energy: -37.878 tors. eta vs tors. theta energy: -71.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -865.177803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.177803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.177803 (E_RNA) where: Base-Base interactions energy: -579.439 where: short stacking energy: -237.869 Base-Backbone interact. energy: 0.432 local terms energy: -286.171245 where: bonds (distance) C4'-P energy: -52.938 bonds (distance) P-C4' energy: -62.037 flat angles C4'-P-C4' energy: -67.643 flat angles P-C4'-P energy: -40.670 tors. eta vs tors. theta energy: -62.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -663.506442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.506442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.506442 (E_RNA) where: Base-Base interactions energy: -411.903 where: short stacking energy: -188.164 Base-Backbone interact. energy: 4.592 local terms energy: -256.195740 where: bonds (distance) C4'-P energy: -54.165 bonds (distance) P-C4' energy: -69.424 flat angles C4'-P-C4' energy: -64.208 flat angles P-C4'-P energy: -35.329 tors. eta vs tors. theta energy: -33.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -536.888858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.888858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.888858 (E_RNA) where: Base-Base interactions energy: -321.951 where: short stacking energy: -170.024 Base-Backbone interact. energy: -0.590 local terms energy: -214.348429 where: bonds (distance) C4'-P energy: -50.406 bonds (distance) P-C4' energy: -44.213 flat angles C4'-P-C4' energy: -57.216 flat angles P-C4'-P energy: -31.372 tors. eta vs tors. theta energy: -31.140 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: 9, replica: 1 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -560.779640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.779640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.779640 (E_RNA) where: Base-Base interactions energy: -355.943 where: short stacking energy: -170.008 Base-Backbone interact. energy: -2.102 local terms energy: -202.734776 where: bonds (distance) C4'-P energy: -45.660 bonds (distance) P-C4' energy: -53.829 flat angles C4'-P-C4' energy: -52.487 flat angles P-C4'-P energy: -28.451 tors. eta vs tors. theta energy: -22.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -333.895732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.895732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.895732 (E_RNA) where: Base-Base interactions energy: -137.652 where: short stacking energy: -104.090 Base-Backbone interact. energy: 0.144 local terms energy: -196.388427 where: bonds (distance) C4'-P energy: -53.432 bonds (distance) P-C4' energy: -57.246 flat angles C4'-P-C4' energy: -49.755 flat angles P-C4'-P energy: -24.021 tors. eta vs tors. theta energy: -11.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1144.504645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.504645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.504645 (E_RNA) where: Base-Base interactions energy: -788.338 where: short stacking energy: -344.761 Base-Backbone interact. energy: -0.950 local terms energy: -355.216663 where: bonds (distance) C4'-P energy: -57.979 bonds (distance) P-C4' energy: -67.673 flat angles C4'-P-C4' energy: -77.352 flat angles P-C4'-P energy: -51.949 tors. eta vs tors. theta energy: -100.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1079.829699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.829699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.829699 (E_RNA) where: Base-Base interactions energy: -747.961 where: short stacking energy: -328.277 Base-Backbone interact. energy: 1.221 local terms energy: -333.089890 where: bonds (distance) C4'-P energy: -65.646 bonds (distance) P-C4' energy: -58.809 flat angles C4'-P-C4' energy: -67.096 flat angles P-C4'-P energy: -47.155 tors. eta vs tors. theta energy: -94.383 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: 3, replica: 6 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1003.665910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.665910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.665910 (E_RNA) where: Base-Base interactions energy: -689.368 where: short stacking energy: -280.830 Base-Backbone interact. energy: -1.437 local terms energy: -312.861054 where: bonds (distance) C4'-P energy: -57.353 bonds (distance) P-C4' energy: -66.053 flat angles C4'-P-C4' energy: -64.538 flat angles P-C4'-P energy: -43.286 tors. eta vs tors. theta energy: -81.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1014.873656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.873656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.873656 (E_RNA) where: Base-Base interactions energy: -708.656 where: short stacking energy: -307.777 Base-Backbone interact. energy: 0.693 local terms energy: -306.910635 where: bonds (distance) C4'-P energy: -59.708 bonds (distance) P-C4' energy: -58.882 flat angles C4'-P-C4' energy: -68.260 flat angles P-C4'-P energy: -42.110 tors. eta vs tors. theta energy: -77.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -852.211922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.211922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.211922 (E_RNA) where: Base-Base interactions energy: -556.727 where: short stacking energy: -262.763 Base-Backbone interact. energy: -1.239 local terms energy: -294.246711 where: bonds (distance) C4'-P energy: -53.660 bonds (distance) P-C4' energy: -62.846 flat angles C4'-P-C4' energy: -60.040 flat angles P-C4'-P energy: -41.241 tors. eta vs tors. theta energy: -76.460 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: 6, replica: 9 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -859.708038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.708038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.708038 (E_RNA) where: Base-Base interactions energy: -580.857 where: short stacking energy: -239.858 Base-Backbone interact. energy: -2.114 local terms energy: -276.737137 where: bonds (distance) C4'-P energy: -50.113 bonds (distance) P-C4' energy: -61.521 flat angles C4'-P-C4' energy: -58.482 flat angles P-C4'-P energy: -46.947 tors. eta vs tors. theta energy: -59.673 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: 7, replica: 2 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -678.119681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.119681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.119681 (E_RNA) where: Base-Base interactions energy: -420.768 where: short stacking energy: -203.195 Base-Backbone interact. energy: -1.067 local terms energy: -256.284979 where: bonds (distance) C4'-P energy: -47.647 bonds (distance) P-C4' energy: -57.312 flat angles C4'-P-C4' energy: -63.389 flat angles P-C4'-P energy: -36.920 tors. eta vs tors. theta energy: -51.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -506.367168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.367168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.367168 (E_RNA) where: Base-Base interactions energy: -298.167 where: short stacking energy: -161.503 Base-Backbone interact. energy: -1.244 local terms energy: -206.956392 where: bonds (distance) C4'-P energy: -48.309 bonds (distance) P-C4' energy: -58.746 flat angles C4'-P-C4' energy: -49.161 flat angles P-C4'-P energy: -25.945 tors. eta vs tors. theta energy: -24.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -531.658967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.658967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.658967 (E_RNA) where: Base-Base interactions energy: -322.760 where: short stacking energy: -158.729 Base-Backbone interact. energy: 0.210 local terms energy: -209.109063 where: bonds (distance) C4'-P energy: -61.209 bonds (distance) P-C4' energy: -57.869 flat angles C4'-P-C4' energy: -44.806 flat angles P-C4'-P energy: -29.525 tors. eta vs tors. theta energy: -15.701 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: 7 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -277.801778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.801778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.801778 (E_RNA) where: Base-Base interactions energy: -108.800 where: short stacking energy: -94.796 Base-Backbone interact. energy: -1.254 local terms energy: -167.747617 where: bonds (distance) C4'-P energy: -36.479 bonds (distance) P-C4' energy: -57.361 flat angles C4'-P-C4' energy: -48.550 flat angles P-C4'-P energy: -29.667 tors. eta vs tors. theta energy: 4.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1132.939093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.939093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.939093 (E_RNA) where: Base-Base interactions energy: -786.676 where: short stacking energy: -331.538 Base-Backbone interact. energy: -1.141 local terms energy: -345.121557 where: bonds (distance) C4'-P energy: -65.552 bonds (distance) P-C4' energy: -67.708 flat angles C4'-P-C4' energy: -72.671 flat angles P-C4'-P energy: -44.092 tors. eta vs tors. theta energy: -95.099 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: 5 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1076.138520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.138520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.138520 (E_RNA) where: Base-Base interactions energy: -748.274 where: short stacking energy: -326.939 Base-Backbone interact. energy: -1.021 local terms energy: -326.843255 where: bonds (distance) C4'-P energy: -63.002 bonds (distance) P-C4' energy: -47.787 flat angles C4'-P-C4' energy: -74.185 flat angles P-C4'-P energy: -51.223 tors. eta vs tors. theta energy: -90.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1023.103957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.103957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.103957 (E_RNA) where: Base-Base interactions energy: -704.810 where: short stacking energy: -311.544 Base-Backbone interact. energy: 1.103 local terms energy: -319.397700 where: bonds (distance) C4'-P energy: -59.140 bonds (distance) P-C4' energy: -50.112 flat angles C4'-P-C4' energy: -70.308 flat angles P-C4'-P energy: -48.218 tors. eta vs tors. theta energy: -91.620 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: 8 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1049.170080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.170080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.170080 (E_RNA) where: Base-Base interactions energy: -730.192 where: short stacking energy: -322.578 Base-Backbone interact. energy: 0.609 local terms energy: -319.586270 where: bonds (distance) C4'-P energy: -52.206 bonds (distance) P-C4' energy: -60.247 flat angles C4'-P-C4' energy: -68.470 flat angles P-C4'-P energy: -43.734 tors. eta vs tors. theta energy: -94.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -918.060434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.060434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.060434 (E_RNA) where: Base-Base interactions energy: -628.252 where: short stacking energy: -256.658 Base-Backbone interact. energy: -0.322 local terms energy: -289.486413 where: bonds (distance) C4'-P energy: -66.890 bonds (distance) P-C4' energy: -51.403 flat angles C4'-P-C4' energy: -67.597 flat angles P-C4'-P energy: -35.332 tors. eta vs tors. theta energy: -68.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -851.645260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.645260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.645260 (E_RNA) where: Base-Base interactions energy: -559.330 where: short stacking energy: -231.155 Base-Backbone interact. energy: -1.946 local terms energy: -290.368882 where: bonds (distance) C4'-P energy: -57.153 bonds (distance) P-C4' energy: -64.367 flat angles C4'-P-C4' energy: -66.000 flat angles P-C4'-P energy: -38.752 tors. eta vs tors. theta energy: -64.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -692.790763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.790763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.790763 (E_RNA) where: Base-Base interactions energy: -450.631 where: short stacking energy: -226.907 Base-Backbone interact. energy: 0.915 local terms energy: -243.075320 where: bonds (distance) C4'-P energy: -47.102 bonds (distance) P-C4' energy: -52.496 flat angles C4'-P-C4' energy: -57.545 flat angles P-C4'-P energy: -41.562 tors. eta vs tors. theta energy: -44.371 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: 1 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -578.681764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.681764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.681764 (E_RNA) where: Base-Base interactions energy: -343.899 where: short stacking energy: -159.427 Base-Backbone interact. energy: -1.420 local terms energy: -233.362813 where: bonds (distance) C4'-P energy: -58.115 bonds (distance) P-C4' energy: -65.630 flat angles C4'-P-C4' energy: -54.118 flat angles P-C4'-P energy: -30.624 tors. eta vs tors. theta energy: -24.875 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: 4 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -536.683781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.683781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.683781 (E_RNA) where: Base-Base interactions energy: -313.805 where: short stacking energy: -153.509 Base-Backbone interact. energy: 0.713 local terms energy: -223.591417 where: bonds (distance) C4'-P energy: -58.414 bonds (distance) P-C4' energy: -62.636 flat angles C4'-P-C4' energy: -52.535 flat angles P-C4'-P energy: -32.152 tors. eta vs tors. theta energy: -17.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -316.805182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.805182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.805182 (E_RNA) where: Base-Base interactions energy: -125.164 where: short stacking energy: -98.873 Base-Backbone interact. energy: -0.405 local terms energy: -191.235858 where: bonds (distance) C4'-P energy: -55.666 bonds (distance) P-C4' energy: -62.234 flat angles C4'-P-C4' energy: -49.103 flat angles P-C4'-P energy: -32.494 tors. eta vs tors. theta energy: 8.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1099.836051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.836051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.836051 (E_RNA) where: Base-Base interactions energy: -761.086 where: short stacking energy: -333.592 Base-Backbone interact. energy: -0.489 local terms energy: -338.261004 where: bonds (distance) C4'-P energy: -72.991 bonds (distance) P-C4' energy: -60.622 flat angles C4'-P-C4' energy: -64.397 flat angles P-C4'-P energy: -48.849 tors. eta vs tors. theta energy: -91.401 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: 2, replica: 10 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1134.594714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.594714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.594714 (E_RNA) where: Base-Base interactions energy: -792.428 where: short stacking energy: -333.671 Base-Backbone interact. energy: -1.407 local terms energy: -340.760438 where: bonds (distance) C4'-P energy: -69.815 bonds (distance) P-C4' energy: -64.759 flat angles C4'-P-C4' energy: -72.959 flat angles P-C4'-P energy: -36.694 tors. eta vs tors. theta energy: -96.533 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: 6 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -994.941496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.941496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.941496 (E_RNA) where: Base-Base interactions energy: -674.525 where: short stacking energy: -296.219 Base-Backbone interact. energy: -1.063 local terms energy: -319.353657 where: bonds (distance) C4'-P energy: -60.276 bonds (distance) P-C4' energy: -64.411 flat angles C4'-P-C4' energy: -67.395 flat angles P-C4'-P energy: -44.826 tors. eta vs tors. theta energy: -82.446 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: 4, replica: 8 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1064.079842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.079842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.079842 (E_RNA) where: Base-Base interactions energy: -747.281 where: short stacking energy: -320.799 Base-Backbone interact. energy: -1.360 local terms energy: -315.438707 where: bonds (distance) C4'-P energy: -51.184 bonds (distance) P-C4' energy: -61.096 flat angles C4'-P-C4' energy: -59.760 flat angles P-C4'-P energy: -58.900 tors. eta vs tors. theta energy: -84.498 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: 128 Temperature: 1.100000 Total energy: -951.026816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.026816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.026816 (E_RNA) where: Base-Base interactions energy: -659.591 where: short stacking energy: -273.670 Base-Backbone interact. energy: -1.277 local terms energy: -290.159114 where: bonds (distance) C4'-P energy: -55.041 bonds (distance) P-C4' energy: -54.432 flat angles C4'-P-C4' energy: -61.162 flat angles P-C4'-P energy: -41.264 tors. eta vs tors. theta energy: -78.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -871.685293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.685293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.685293 (E_RNA) where: Base-Base interactions energy: -580.243 where: short stacking energy: -234.689 Base-Backbone interact. energy: 1.999 local terms energy: -293.441334 where: bonds (distance) C4'-P energy: -55.266 bonds (distance) P-C4' energy: -68.996 flat angles C4'-P-C4' energy: -62.995 flat angles P-C4'-P energy: -48.322 tors. eta vs tors. theta energy: -57.862 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: 2 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -774.823179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.823179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.823179 (E_RNA) where: Base-Base interactions energy: -497.863 where: short stacking energy: -239.793 Base-Backbone interact. energy: 0.519 local terms energy: -277.478846 where: bonds (distance) C4'-P energy: -56.705 bonds (distance) P-C4' energy: -53.718 flat angles C4'-P-C4' energy: -61.465 flat angles P-C4'-P energy: -42.960 tors. eta vs tors. theta energy: -62.632 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: 1 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -628.126588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.126588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.126588 (E_RNA) where: Base-Base interactions energy: -383.959 where: short stacking energy: -176.142 Base-Backbone interact. energy: -1.178 local terms energy: -242.989565 where: bonds (distance) C4'-P energy: -56.569 bonds (distance) P-C4' energy: -60.641 flat angles C4'-P-C4' energy: -62.131 flat angles P-C4'-P energy: -24.575 tors. eta vs tors. theta energy: -39.074 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: 4 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -553.922505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.922505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.922505 (E_RNA) where: Base-Base interactions energy: -336.984 where: short stacking energy: -158.979 Base-Backbone interact. energy: -0.875 local terms energy: -216.063017 where: bonds (distance) C4'-P energy: -58.336 bonds (distance) P-C4' energy: -45.794 flat angles C4'-P-C4' energy: -63.553 flat angles P-C4'-P energy: -34.077 tors. eta vs tors. theta energy: -14.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -371.257530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.257530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.257530 (E_RNA) where: Base-Base interactions energy: -183.626 where: short stacking energy: -83.647 Base-Backbone interact. energy: -2.059 local terms energy: -185.572796 where: bonds (distance) C4'-P energy: -66.198 bonds (distance) P-C4' energy: -55.443 flat angles C4'-P-C4' energy: -40.307 flat angles P-C4'-P energy: -26.764 tors. eta vs tors. theta energy: 3.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1115.575749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.575749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.575749 (E_RNA) where: Base-Base interactions energy: -773.200 where: short stacking energy: -345.380 Base-Backbone interact. energy: 0.464 local terms energy: -342.839978 where: bonds (distance) C4'-P energy: -64.501 bonds (distance) P-C4' energy: -64.060 flat angles C4'-P-C4' energy: -73.905 flat angles P-C4'-P energy: -45.020 tors. eta vs tors. theta energy: -95.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1117.266637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.266637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.266637 (E_RNA) where: Base-Base interactions energy: -788.207 where: short stacking energy: -324.456 Base-Backbone interact. energy: -0.890 local terms energy: -328.168855 where: bonds (distance) C4'-P energy: -57.918 bonds (distance) P-C4' energy: -51.857 flat angles C4'-P-C4' energy: -77.501 flat angles P-C4'-P energy: -47.100 tors. eta vs tors. theta energy: -93.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1028.111212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.111212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.111212 (E_RNA) where: Base-Base interactions energy: -705.166 where: short stacking energy: -306.354 Base-Backbone interact. energy: -0.786 local terms energy: -322.159200 where: bonds (distance) C4'-P energy: -59.846 bonds (distance) P-C4' energy: -66.536 flat angles C4'-P-C4' energy: -68.034 flat angles P-C4'-P energy: -47.638 tors. eta vs tors. theta energy: -80.106 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: 8 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1038.119797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.119797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.119797 (E_RNA) where: Base-Base interactions energy: -715.726 where: short stacking energy: -301.313 Base-Backbone interact. energy: -0.134 local terms energy: -322.259971 where: bonds (distance) C4'-P energy: -61.941 bonds (distance) P-C4' energy: -64.649 flat angles C4'-P-C4' energy: -67.589 flat angles P-C4'-P energy: -41.878 tors. eta vs tors. theta energy: -86.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -947.876958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.876958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.876958 (E_RNA) where: Base-Base interactions energy: -634.221 where: short stacking energy: -269.808 Base-Backbone interact. energy: -0.080 local terms energy: -313.575649 where: bonds (distance) C4'-P energy: -67.143 bonds (distance) P-C4' energy: -64.341 flat angles C4'-P-C4' energy: -65.418 flat angles P-C4'-P energy: -41.243 tors. eta vs tors. theta energy: -75.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -850.798148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.798148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.798148 (E_RNA) where: Base-Base interactions energy: -578.471 where: short stacking energy: -239.109 Base-Backbone interact. energy: -1.831 local terms energy: -270.496021 where: bonds (distance) C4'-P energy: -51.983 bonds (distance) P-C4' energy: -54.354 flat angles C4'-P-C4' energy: -57.574 flat angles P-C4'-P energy: -39.586 tors. eta vs tors. theta energy: -66.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -741.671536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.671536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.671536 (E_RNA) where: Base-Base interactions energy: -497.530 where: short stacking energy: -212.260 Base-Backbone interact. energy: -1.181 local terms energy: -242.960540 where: bonds (distance) C4'-P energy: -50.049 bonds (distance) P-C4' energy: -63.285 flat angles C4'-P-C4' energy: -52.682 flat angles P-C4'-P energy: -42.020 tors. eta vs tors. theta energy: -34.924 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: 8, replica: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -600.836683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.836683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.836683 (E_RNA) where: Base-Base interactions energy: -390.800 where: short stacking energy: -179.289 Base-Backbone interact. energy: 3.020 local terms energy: -213.056178 where: bonds (distance) C4'-P energy: -46.736 bonds (distance) P-C4' energy: -49.869 flat angles C4'-P-C4' energy: -59.169 flat angles P-C4'-P energy: -28.895 tors. eta vs tors. theta energy: -28.388 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: 4 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -582.632398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.632398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.632398 (E_RNA) where: Base-Base interactions energy: -345.902 where: short stacking energy: -154.395 Base-Backbone interact. energy: -1.104 local terms energy: -235.625990 where: bonds (distance) C4'-P energy: -43.575 bonds (distance) P-C4' energy: -70.731 flat angles C4'-P-C4' energy: -52.555 flat angles P-C4'-P energy: -43.449 tors. eta vs tors. theta energy: -25.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -350.917229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.917229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.917229 (E_RNA) where: Base-Base interactions energy: -162.809 where: short stacking energy: -115.379 Base-Backbone interact. energy: -1.023 local terms energy: -187.085811 where: bonds (distance) C4'-P energy: -54.128 bonds (distance) P-C4' energy: -52.832 flat angles C4'-P-C4' energy: -33.412 flat angles P-C4'-P energy: -27.732 tors. eta vs tors. theta energy: -18.981 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: 5 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1125.676670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.676670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.676670 (E_RNA) where: Base-Base interactions energy: -787.307 where: short stacking energy: -341.748 Base-Backbone interact. energy: -2.127 local terms energy: -336.242849 where: bonds (distance) C4'-P energy: -51.562 bonds (distance) P-C4' energy: -67.956 flat angles C4'-P-C4' energy: -75.421 flat angles P-C4'-P energy: -53.444 tors. eta vs tors. theta energy: -87.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1106.451970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.451970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.451970 (E_RNA) where: Base-Base interactions energy: -761.999 where: short stacking energy: -320.398 Base-Backbone interact. energy: -1.274 local terms energy: -343.178695 where: bonds (distance) C4'-P energy: -67.144 bonds (distance) P-C4' energy: -58.741 flat angles C4'-P-C4' energy: -76.393 flat angles P-C4'-P energy: -46.670 tors. eta vs tors. theta energy: -94.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1086.750175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.750175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.750175 (E_RNA) where: Base-Base interactions energy: -744.303 where: short stacking energy: -324.467 Base-Backbone interact. energy: -3.337 local terms energy: -339.109533 where: bonds (distance) C4'-P energy: -62.799 bonds (distance) P-C4' energy: -57.102 flat angles C4'-P-C4' energy: -68.370 flat angles P-C4'-P energy: -50.394 tors. eta vs tors. theta energy: -100.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1020.508828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.508828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.508828 (E_RNA) where: Base-Base interactions energy: -697.265 where: short stacking energy: -313.277 Base-Backbone interact. energy: -0.639 local terms energy: -322.604631 where: bonds (distance) C4'-P energy: -59.663 bonds (distance) P-C4' energy: -69.141 flat angles C4'-P-C4' energy: -61.016 flat angles P-C4'-P energy: -47.501 tors. eta vs tors. theta energy: -85.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -913.328346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.328346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.328346 (E_RNA) where: Base-Base interactions energy: -619.690 where: short stacking energy: -253.210 Base-Backbone interact. energy: -1.884 local terms energy: -291.754333 where: bonds (distance) C4'-P energy: -54.487 bonds (distance) P-C4' energy: -61.286 flat angles C4'-P-C4' energy: -63.544 flat angles P-C4'-P energy: -45.355 tors. eta vs tors. theta energy: -67.083 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: 9 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -848.366465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.366465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.366465 (E_RNA) where: Base-Base interactions energy: -562.153 where: short stacking energy: -221.619 Base-Backbone interact. energy: 1.706 local terms energy: -287.919490 where: bonds (distance) C4'-P energy: -55.250 bonds (distance) P-C4' energy: -62.954 flat angles C4'-P-C4' energy: -68.808 flat angles P-C4'-P energy: -41.941 tors. eta vs tors. theta energy: -58.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -772.058311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.058311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.058311 (E_RNA) where: Base-Base interactions energy: -507.552 where: short stacking energy: -238.318 Base-Backbone interact. energy: -0.224 local terms energy: -264.282377 where: bonds (distance) C4'-P energy: -54.033 bonds (distance) P-C4' energy: -57.611 flat angles C4'-P-C4' energy: -46.739 flat angles P-C4'-P energy: -43.217 tors. eta vs tors. theta energy: -62.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -614.470031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.470031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.470031 (E_RNA) where: Base-Base interactions energy: -394.198 where: short stacking energy: -170.959 Base-Backbone interact. energy: 1.535 local terms energy: -221.807567 where: bonds (distance) C4'-P energy: -60.288 bonds (distance) P-C4' energy: -40.746 flat angles C4'-P-C4' energy: -56.305 flat angles P-C4'-P energy: -37.520 tors. eta vs tors. theta energy: -26.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -609.234559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.234559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.234559 (E_RNA) where: Base-Base interactions energy: -389.498 where: short stacking energy: -184.995 Base-Backbone interact. energy: 0.290 local terms energy: -220.026710 where: bonds (distance) C4'-P energy: -53.601 bonds (distance) P-C4' energy: -63.651 flat angles C4'-P-C4' energy: -50.317 flat angles P-C4'-P energy: -21.785 tors. eta vs tors. theta energy: -30.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -326.135402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.135402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.135402 (E_RNA) where: Base-Base interactions energy: -135.702 where: short stacking energy: -81.427 Base-Backbone interact. energy: -0.793 local terms energy: -189.640298 where: bonds (distance) C4'-P energy: -51.191 bonds (distance) P-C4' energy: -59.825 flat angles C4'-P-C4' energy: -57.125 flat angles P-C4'-P energy: -28.038 tors. eta vs tors. theta energy: 6.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1091.298084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.298084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.298084 (E_RNA) where: Base-Base interactions energy: -755.870 where: short stacking energy: -303.323 Base-Backbone interact. energy: -2.224 local terms energy: -333.204534 where: bonds (distance) C4'-P energy: -72.951 bonds (distance) P-C4' energy: -59.601 flat angles C4'-P-C4' energy: -67.948 flat angles P-C4'-P energy: -43.718 tors. eta vs tors. theta energy: -88.987 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: 10 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1115.955589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.955589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.955589 (E_RNA) where: Base-Base interactions energy: -776.939 where: short stacking energy: -323.877 Base-Backbone interact. energy: -1.720 local terms energy: -337.296474 where: bonds (distance) C4'-P energy: -58.749 bonds (distance) P-C4' energy: -63.910 flat angles C4'-P-C4' energy: -77.664 flat angles P-C4'-P energy: -42.971 tors. eta vs tors. theta energy: -94.003 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: 8 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1092.481712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.481712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.481712 (E_RNA) where: Base-Base interactions energy: -766.828 where: short stacking energy: -315.351 Base-Backbone interact. energy: -2.112 local terms energy: -323.541609 where: bonds (distance) C4'-P energy: -60.337 bonds (distance) P-C4' energy: -66.701 flat angles C4'-P-C4' energy: -65.228 flat angles P-C4'-P energy: -41.831 tors. eta vs tors. theta energy: -89.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -997.175924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.175924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.175924 (E_RNA) where: Base-Base interactions energy: -692.905 where: short stacking energy: -307.465 Base-Backbone interact. energy: -0.412 local terms energy: -303.859329 where: bonds (distance) C4'-P energy: -53.796 bonds (distance) P-C4' energy: -56.948 flat angles C4'-P-C4' energy: -65.986 flat angles P-C4'-P energy: -45.371 tors. eta vs tors. theta energy: -81.758 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: 5, replica: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -915.193575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.193575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.193575 (E_RNA) where: Base-Base interactions energy: -590.355 where: short stacking energy: -258.340 Base-Backbone interact. energy: -3.171 local terms energy: -321.667265 where: bonds (distance) C4'-P energy: -73.893 bonds (distance) P-C4' energy: -55.121 flat angles C4'-P-C4' energy: -72.076 flat angles P-C4'-P energy: -44.739 tors. eta vs tors. theta energy: -75.839 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: 131 Temperature: 1.150000 Total energy: -850.722131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.722131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.722131 (E_RNA) where: Base-Base interactions energy: -575.628 where: short stacking energy: -239.814 Base-Backbone interact. energy: -1.226 local terms energy: -273.867962 where: bonds (distance) C4'-P energy: -54.818 bonds (distance) P-C4' energy: -51.918 flat angles C4'-P-C4' energy: -57.935 flat angles P-C4'-P energy: -49.785 tors. eta vs tors. theta energy: -59.412 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: 2 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -761.414069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.414069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.414069 (E_RNA) where: Base-Base interactions energy: -491.956 where: short stacking energy: -216.277 Base-Backbone interact. energy: -0.232 local terms energy: -269.226009 where: bonds (distance) C4'-P energy: -56.326 bonds (distance) P-C4' energy: -60.686 flat angles C4'-P-C4' energy: -58.591 flat angles P-C4'-P energy: -45.664 tors. eta vs tors. theta energy: -47.958 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: 131 Temperature: 1.250000 Total energy: -680.267513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.267513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.267513 (E_RNA) where: Base-Base interactions energy: -447.802 where: short stacking energy: -203.873 Base-Backbone interact. energy: -2.593 local terms energy: -229.872522 where: bonds (distance) C4'-P energy: -54.348 bonds (distance) P-C4' energy: -47.580 flat angles C4'-P-C4' energy: -62.434 flat angles P-C4'-P energy: -30.976 tors. eta vs tors. theta energy: -34.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -593.116376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.116376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.116376 (E_RNA) where: Base-Base interactions energy: -349.489 where: short stacking energy: -166.594 Base-Backbone interact. energy: 0.290 local terms energy: -243.917912 where: bonds (distance) C4'-P energy: -61.031 bonds (distance) P-C4' energy: -59.124 flat angles C4'-P-C4' energy: -53.996 flat angles P-C4'-P energy: -35.107 tors. eta vs tors. theta energy: -34.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -322.475434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.475434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.475434 (E_RNA) where: Base-Base interactions energy: -139.779 where: short stacking energy: -103.299 Base-Backbone interact. energy: -0.941 local terms energy: -181.755403 where: bonds (distance) C4'-P energy: -50.026 bonds (distance) P-C4' energy: -59.352 flat angles C4'-P-C4' energy: -47.620 flat angles P-C4'-P energy: -26.979 tors. eta vs tors. theta energy: 2.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1168.724953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.724953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.724953 (E_RNA) where: Base-Base interactions energy: -814.388 where: short stacking energy: -333.370 Base-Backbone interact. energy: -0.891 local terms energy: -353.446144 where: bonds (distance) C4'-P energy: -65.204 bonds (distance) P-C4' energy: -66.982 flat angles C4'-P-C4' energy: -78.302 flat angles P-C4'-P energy: -50.587 tors. eta vs tors. theta energy: -92.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1064.155577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.155577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.155577 (E_RNA) where: Base-Base interactions energy: -730.296 where: short stacking energy: -313.744 Base-Backbone interact. energy: -0.783 local terms energy: -333.076364 where: bonds (distance) C4'-P energy: -56.163 bonds (distance) P-C4' energy: -74.127 flat angles C4'-P-C4' energy: -66.693 flat angles P-C4'-P energy: -46.641 tors. eta vs tors. theta energy: -89.452 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: 8 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1101.389697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.389697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.389697 (E_RNA) where: Base-Base interactions energy: -766.045 where: short stacking energy: -317.658 Base-Backbone interact. energy: -1.251 local terms energy: -334.094150 where: bonds (distance) C4'-P energy: -64.069 bonds (distance) P-C4' energy: -65.634 flat angles C4'-P-C4' energy: -69.147 flat angles P-C4'-P energy: -36.261 tors. eta vs tors. theta energy: -98.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1028.129980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.129980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.129980 (E_RNA) where: Base-Base interactions energy: -691.822 where: short stacking energy: -299.969 Base-Backbone interact. energy: -1.258 local terms energy: -335.050740 where: bonds (distance) C4'-P energy: -65.239 bonds (distance) P-C4' energy: -66.500 flat angles C4'-P-C4' energy: -67.009 flat angles P-C4'-P energy: -44.592 tors. eta vs tors. theta energy: -91.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -909.149055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.149055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.149055 (E_RNA) where: Base-Base interactions energy: -625.021 where: short stacking energy: -250.614 Base-Backbone interact. energy: -1.962 local terms energy: -282.165964 where: bonds (distance) C4'-P energy: -57.678 bonds (distance) P-C4' energy: -59.764 flat angles C4'-P-C4' energy: -72.177 flat angles P-C4'-P energy: -37.067 tors. eta vs tors. theta energy: -55.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -880.206976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.206976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.206976 (E_RNA) where: Base-Base interactions energy: -614.011 where: short stacking energy: -285.219 Base-Backbone interact. energy: -3.080 local terms energy: -263.116032 where: bonds (distance) C4'-P energy: -38.480 bonds (distance) P-C4' energy: -48.888 flat angles C4'-P-C4' energy: -59.519 flat angles P-C4'-P energy: -40.488 tors. eta vs tors. theta energy: -75.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -777.758211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.758211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.758211 (E_RNA) where: Base-Base interactions energy: -524.276 where: short stacking energy: -220.615 Base-Backbone interact. energy: -1.954 local terms energy: -251.528669 where: bonds (distance) C4'-P energy: -67.488 bonds (distance) P-C4' energy: -38.664 flat angles C4'-P-C4' energy: -59.815 flat angles P-C4'-P energy: -25.605 tors. eta vs tors. theta energy: -59.956 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: 4 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -659.304669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.304669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.304669 (E_RNA) where: Base-Base interactions energy: -426.174 where: short stacking energy: -178.191 Base-Backbone interact. energy: -1.832 local terms energy: -231.298842 where: bonds (distance) C4'-P energy: -54.421 bonds (distance) P-C4' energy: -59.801 flat angles C4'-P-C4' energy: -58.554 flat angles P-C4'-P energy: -25.799 tors. eta vs tors. theta energy: -32.724 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: 9, replica: 1 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -541.766811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.766811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.766811 (E_RNA) where: Base-Base interactions energy: -333.315 where: short stacking energy: -161.062 Base-Backbone interact. energy: -1.591 local terms energy: -206.861484 where: bonds (distance) C4'-P energy: -29.471 bonds (distance) P-C4' energy: -57.209 flat angles C4'-P-C4' energy: -58.831 flat angles P-C4'-P energy: -37.334 tors. eta vs tors. theta energy: -24.017 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: 10, replica: 7 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -356.499999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.499999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.499999 (E_RNA) where: Base-Base interactions energy: -150.317 where: short stacking energy: -92.392 Base-Backbone interact. energy: -0.894 local terms energy: -205.288833 where: bonds (distance) C4'-P energy: -54.181 bonds (distance) P-C4' energy: -52.726 flat angles C4'-P-C4' energy: -50.443 flat angles P-C4'-P energy: -36.440 tors. eta vs tors. theta energy: -11.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1155.930736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.930736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.930736 (E_RNA) where: Base-Base interactions energy: -814.634 where: short stacking energy: -333.531 Base-Backbone interact. energy: 0.428 local terms energy: -341.724291 where: bonds (distance) C4'-P energy: -55.819 bonds (distance) P-C4' energy: -66.467 flat angles C4'-P-C4' energy: -76.025 flat angles P-C4'-P energy: -43.310 tors. eta vs tors. theta energy: -100.103 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: 8 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1145.758704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.758704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.758704 (E_RNA) where: Base-Base interactions energy: -803.652 where: short stacking energy: -352.384 Base-Backbone interact. energy: -1.255 local terms energy: -340.850907 where: bonds (distance) C4'-P energy: -59.374 bonds (distance) P-C4' energy: -59.323 flat angles C4'-P-C4' energy: -77.361 flat angles P-C4'-P energy: -48.474 tors. eta vs tors. theta energy: -96.319 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: 3, replica: 5 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1034.474558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.474558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.474558 (E_RNA) where: Base-Base interactions energy: -705.675 where: short stacking energy: -318.868 Base-Backbone interact. energy: -0.953 local terms energy: -327.846344 where: bonds (distance) C4'-P energy: -59.570 bonds (distance) P-C4' energy: -63.392 flat angles C4'-P-C4' energy: -70.085 flat angles P-C4'-P energy: -50.701 tors. eta vs tors. theta energy: -84.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1024.477897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.477897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.477897 (E_RNA) where: Base-Base interactions energy: -695.532 where: short stacking energy: -312.578 Base-Backbone interact. energy: -0.579 local terms energy: -328.366748 where: bonds (distance) C4'-P energy: -60.418 bonds (distance) P-C4' energy: -58.977 flat angles C4'-P-C4' energy: -75.155 flat angles P-C4'-P energy: -42.928 tors. eta vs tors. theta energy: -90.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -905.655287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.655287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.655287 (E_RNA) where: Base-Base interactions energy: -626.268 where: short stacking energy: -252.187 Base-Backbone interact. energy: -1.807 local terms energy: -277.580461 where: bonds (distance) C4'-P energy: -52.467 bonds (distance) P-C4' energy: -59.597 flat angles C4'-P-C4' energy: -61.146 flat angles P-C4'-P energy: -40.550 tors. eta vs tors. theta energy: -63.822 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: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -850.311268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.311268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.311268 (E_RNA) where: Base-Base interactions energy: -579.709 where: short stacking energy: -249.262 Base-Backbone interact. energy: -0.863 local terms energy: -269.738998 where: bonds (distance) C4'-P energy: -52.900 bonds (distance) P-C4' energy: -58.729 flat angles C4'-P-C4' energy: -57.466 flat angles P-C4'-P energy: -40.081 tors. eta vs tors. theta energy: -60.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -795.646626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.646626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.646626 (E_RNA) where: Base-Base interactions energy: -511.630 where: short stacking energy: -220.955 Base-Backbone interact. energy: -1.489 local terms energy: -282.527973 where: bonds (distance) C4'-P energy: -50.217 bonds (distance) P-C4' energy: -56.532 flat angles C4'-P-C4' energy: -70.138 flat angles P-C4'-P energy: -45.879 tors. eta vs tors. theta energy: -59.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -705.885782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.885782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.885782 (E_RNA) where: Base-Base interactions energy: -476.159 where: short stacking energy: -193.282 Base-Backbone interact. energy: -0.094 local terms energy: -229.632677 where: bonds (distance) C4'-P energy: -47.545 bonds (distance) P-C4' energy: -61.379 flat angles C4'-P-C4' energy: -51.031 flat angles P-C4'-P energy: -25.481 tors. eta vs tors. theta energy: -44.197 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: 1 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -605.229734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.229734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.229734 (E_RNA) where: Base-Base interactions energy: -387.149 where: short stacking energy: -174.389 Base-Backbone interact. energy: 2.359 local terms energy: -220.439271 where: bonds (distance) C4'-P energy: -53.446 bonds (distance) P-C4' energy: -56.012 flat angles C4'-P-C4' energy: -51.550 flat angles P-C4'-P energy: -24.770 tors. eta vs tors. theta energy: -34.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -317.191692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.191692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.191692 (E_RNA) where: Base-Base interactions energy: -146.001 where: short stacking energy: -92.202 Base-Backbone interact. energy: 1.282 local terms energy: -172.472623 where: bonds (distance) C4'-P energy: -56.646 bonds (distance) P-C4' energy: -49.136 flat angles C4'-P-C4' energy: -53.462 flat angles P-C4'-P energy: -21.513 tors. eta vs tors. theta energy: 8.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1153.381148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.381148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.381148 (E_RNA) where: Base-Base interactions energy: -798.930 where: short stacking energy: -326.092 Base-Backbone interact. energy: -1.952 local terms energy: -352.499401 where: bonds (distance) C4'-P energy: -68.313 bonds (distance) P-C4' energy: -70.043 flat angles C4'-P-C4' energy: -76.243 flat angles P-C4'-P energy: -37.275 tors. eta vs tors. theta energy: -100.625 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: 2, replica: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1144.508167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.508167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.508167 (E_RNA) where: Base-Base interactions energy: -790.587 where: short stacking energy: -343.683 Base-Backbone interact. energy: -1.487 local terms energy: -352.434079 where: bonds (distance) C4'-P energy: -52.132 bonds (distance) P-C4' energy: -65.169 flat angles C4'-P-C4' energy: -73.148 flat angles P-C4'-P energy: -54.429 tors. eta vs tors. theta energy: -107.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1041.868103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.868103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.868103 (E_RNA) where: Base-Base interactions energy: -708.556 where: short stacking energy: -308.094 Base-Backbone interact. energy: -0.144 local terms energy: -333.168723 where: bonds (distance) C4'-P energy: -61.860 bonds (distance) P-C4' energy: -64.838 flat angles C4'-P-C4' energy: -67.632 flat angles P-C4'-P energy: -45.575 tors. eta vs tors. theta energy: -93.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -975.635466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.635466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.635466 (E_RNA) where: Base-Base interactions energy: -661.437 where: short stacking energy: -307.380 Base-Backbone interact. energy: -2.939 local terms energy: -311.259178 where: bonds (distance) C4'-P energy: -51.060 bonds (distance) P-C4' energy: -58.798 flat angles C4'-P-C4' energy: -72.199 flat angles P-C4'-P energy: -39.814 tors. eta vs tors. theta energy: -89.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -901.499143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.499143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.499143 (E_RNA) where: Base-Base interactions energy: -601.813 where: short stacking energy: -267.471 Base-Backbone interact. energy: 1.334 local terms energy: -301.020003 where: bonds (distance) C4'-P energy: -54.596 bonds (distance) P-C4' energy: -57.778 flat angles C4'-P-C4' energy: -68.524 flat angles P-C4'-P energy: -42.794 tors. eta vs tors. theta energy: -77.328 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: 3 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -842.415768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.415768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.415768 (E_RNA) where: Base-Base interactions energy: -564.635 where: short stacking energy: -254.932 Base-Backbone interact. energy: -4.012 local terms energy: -273.769221 where: bonds (distance) C4'-P energy: -48.298 bonds (distance) P-C4' energy: -44.160 flat angles C4'-P-C4' energy: -72.415 flat angles P-C4'-P energy: -36.968 tors. eta vs tors. theta energy: -71.929 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: 134 Temperature: 1.200000 Total energy: -789.381628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.381628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.381628 (E_RNA) where: Base-Base interactions energy: -523.301 where: short stacking energy: -236.917 Base-Backbone interact. energy: -0.331 local terms energy: -265.749088 where: bonds (distance) C4'-P energy: -51.689 bonds (distance) P-C4' energy: -56.389 flat angles C4'-P-C4' energy: -68.855 flat angles P-C4'-P energy: -28.687 tors. eta vs tors. theta energy: -60.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -711.404562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.404562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.404562 (E_RNA) where: Base-Base interactions energy: -466.212 where: short stacking energy: -193.968 Base-Backbone interact. energy: -1.798 local terms energy: -243.394177 where: bonds (distance) C4'-P energy: -41.147 bonds (distance) P-C4' energy: -60.171 flat angles C4'-P-C4' energy: -53.188 flat angles P-C4'-P energy: -47.232 tors. eta vs tors. theta energy: -41.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -622.583315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.583315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.583315 (E_RNA) where: Base-Base interactions energy: -377.223 where: short stacking energy: -180.344 Base-Backbone interact. energy: -0.626 local terms energy: -244.733635 where: bonds (distance) C4'-P energy: -60.616 bonds (distance) P-C4' energy: -56.253 flat angles C4'-P-C4' energy: -70.830 flat angles P-C4'-P energy: -27.655 tors. eta vs tors. theta energy: -29.378 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: 10, replica: 7 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -312.819778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.819778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.819778 (E_RNA) where: Base-Base interactions energy: -129.854 where: short stacking energy: -91.982 Base-Backbone interact. energy: 0.523 local terms energy: -183.488646 where: bonds (distance) C4'-P energy: -52.933 bonds (distance) P-C4' energy: -50.316 flat angles C4'-P-C4' energy: -46.198 flat angles P-C4'-P energy: -34.483 tors. eta vs tors. theta energy: 0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1150.596685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.596685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.596685 (E_RNA) where: Base-Base interactions energy: -808.683 where: short stacking energy: -339.099 Base-Backbone interact. energy: -0.957 local terms energy: -340.957518 where: bonds (distance) C4'-P energy: -53.736 bonds (distance) P-C4' energy: -71.592 flat angles C4'-P-C4' energy: -71.249 flat angles P-C4'-P energy: -46.661 tors. eta vs tors. theta energy: -97.720 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: 8 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1145.140227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.140227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.140227 (E_RNA) where: Base-Base interactions energy: -799.546 where: short stacking energy: -342.974 Base-Backbone interact. energy: 0.546 local terms energy: -346.140025 where: bonds (distance) C4'-P energy: -64.550 bonds (distance) P-C4' energy: -62.833 flat angles C4'-P-C4' energy: -71.315 flat angles P-C4'-P energy: -47.267 tors. eta vs tors. theta energy: -100.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1055.728391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.728391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.728391 (E_RNA) where: Base-Base interactions energy: -728.053 where: short stacking energy: -317.701 Base-Backbone interact. energy: -1.526 local terms energy: -326.148635 where: bonds (distance) C4'-P energy: -61.297 bonds (distance) P-C4' energy: -60.544 flat angles C4'-P-C4' energy: -75.298 flat angles P-C4'-P energy: -40.826 tors. eta vs tors. theta energy: -88.183 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: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -963.678521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.678521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.678521 (E_RNA) where: Base-Base interactions energy: -668.609 where: short stacking energy: -284.612 Base-Backbone interact. energy: -0.825 local terms energy: -294.244318 where: bonds (distance) C4'-P energy: -53.725 bonds (distance) P-C4' energy: -47.425 flat angles C4'-P-C4' energy: -70.921 flat angles P-C4'-P energy: -45.403 tors. eta vs tors. theta energy: -76.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -891.489673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.489673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.489673 (E_RNA) where: Base-Base interactions energy: -608.206 where: short stacking energy: -252.330 Base-Backbone interact. energy: -3.229 local terms energy: -280.055128 where: bonds (distance) C4'-P energy: -55.467 bonds (distance) P-C4' energy: -45.882 flat angles C4'-P-C4' energy: -71.399 flat angles P-C4'-P energy: -39.037 tors. eta vs tors. theta energy: -68.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -792.083282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.083282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.083282 (E_RNA) where: Base-Base interactions energy: -509.934 where: short stacking energy: -228.713 Base-Backbone interact. energy: -0.381 local terms energy: -281.768404 where: bonds (distance) C4'-P energy: -62.187 bonds (distance) P-C4' energy: -54.430 flat angles C4'-P-C4' energy: -66.512 flat angles P-C4'-P energy: -43.761 tors. eta vs tors. theta energy: -54.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -806.737654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.737654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.737654 (E_RNA) where: Base-Base interactions energy: -531.585 where: short stacking energy: -223.948 Base-Backbone interact. energy: -1.051 local terms energy: -274.102027 where: bonds (distance) C4'-P energy: -65.353 bonds (distance) P-C4' energy: -51.414 flat angles C4'-P-C4' energy: -55.351 flat angles P-C4'-P energy: -37.948 tors. eta vs tors. theta energy: -64.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -749.752454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.752454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.752454 (E_RNA) where: Base-Base interactions energy: -497.076 where: short stacking energy: -211.158 Base-Backbone interact. energy: -1.207 local terms energy: -251.469427 where: bonds (distance) C4'-P energy: -57.853 bonds (distance) P-C4' energy: -54.999 flat angles C4'-P-C4' energy: -62.551 flat angles P-C4'-P energy: -32.229 tors. eta vs tors. theta energy: -43.837 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: 1 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -537.977990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.977990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.977990 (E_RNA) where: Base-Base interactions energy: -335.284 where: short stacking energy: -155.411 Base-Backbone interact. energy: -0.440 local terms energy: -202.253426 where: bonds (distance) C4'-P energy: -51.302 bonds (distance) P-C4' energy: -50.133 flat angles C4'-P-C4' energy: -46.134 flat angles P-C4'-P energy: -29.538 tors. eta vs tors. theta energy: -25.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -297.662399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.662399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.662399 (E_RNA) where: Base-Base interactions energy: -116.356 where: short stacking energy: -82.753 Base-Backbone interact. energy: -1.123 local terms energy: -180.182976 where: bonds (distance) C4'-P energy: -53.663 bonds (distance) P-C4' energy: -58.191 flat angles C4'-P-C4' energy: -44.032 flat angles P-C4'-P energy: -27.524 tors. eta vs tors. theta energy: 3.227 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: 1, replica: 10 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1141.466530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.466530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.466530 (E_RNA) where: Base-Base interactions energy: -791.347 where: short stacking energy: -334.170 Base-Backbone interact. energy: -2.694 local terms energy: -347.425221 where: bonds (distance) C4'-P energy: -57.315 bonds (distance) P-C4' energy: -68.856 flat angles C4'-P-C4' energy: -74.861 flat angles P-C4'-P energy: -49.410 tors. eta vs tors. theta energy: -96.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1157.810384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.810384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.810384 (E_RNA) where: Base-Base interactions energy: -808.992 where: short stacking energy: -324.395 Base-Backbone interact. energy: -1.958 local terms energy: -346.861013 where: bonds (distance) C4'-P energy: -63.328 bonds (distance) P-C4' energy: -64.582 flat angles C4'-P-C4' energy: -73.955 flat angles P-C4'-P energy: -43.961 tors. eta vs tors. theta energy: -101.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1065.249889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.249889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.249889 (E_RNA) where: Base-Base interactions energy: -729.760 where: short stacking energy: -306.226 Base-Backbone interact. energy: -1.552 local terms energy: -333.937670 where: bonds (distance) C4'-P energy: -60.881 bonds (distance) P-C4' energy: -54.317 flat angles C4'-P-C4' energy: -76.027 flat angles P-C4'-P energy: -47.997 tors. eta vs tors. theta energy: -94.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -956.084546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.084546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.084546 (E_RNA) where: Base-Base interactions energy: -661.625 where: short stacking energy: -299.199 Base-Backbone interact. energy: 0.085 local terms energy: -294.544595 where: bonds (distance) C4'-P energy: -63.582 bonds (distance) P-C4' energy: -49.551 flat angles C4'-P-C4' energy: -66.329 flat angles P-C4'-P energy: -39.867 tors. eta vs tors. theta energy: -75.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -921.769181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.769181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.769181 (E_RNA) where: Base-Base interactions energy: -620.422 where: short stacking energy: -255.694 Base-Backbone interact. energy: -1.037 local terms energy: -300.309436 where: bonds (distance) C4'-P energy: -59.942 bonds (distance) P-C4' energy: -56.939 flat angles C4'-P-C4' energy: -74.767 flat angles P-C4'-P energy: -44.125 tors. eta vs tors. theta energy: -64.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -813.187442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.187442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.187442 (E_RNA) where: Base-Base interactions energy: -528.556 where: short stacking energy: -248.777 Base-Backbone interact. energy: -1.551 local terms energy: -283.080914 where: bonds (distance) C4'-P energy: -54.221 bonds (distance) P-C4' energy: -57.984 flat angles C4'-P-C4' energy: -63.223 flat angles P-C4'-P energy: -45.172 tors. eta vs tors. theta energy: -62.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -842.465628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.465628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.465628 (E_RNA) where: Base-Base interactions energy: -574.875 where: short stacking energy: -252.923 Base-Backbone interact. energy: -1.701 local terms energy: -265.889648 where: bonds (distance) C4'-P energy: -51.737 bonds (distance) P-C4' energy: -60.178 flat angles C4'-P-C4' energy: -60.887 flat angles P-C4'-P energy: -31.864 tors. eta vs tors. theta energy: -61.225 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: 4 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -742.945984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.945984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.945984 (E_RNA) where: Base-Base interactions energy: -488.553 where: short stacking energy: -180.432 Base-Backbone interact. energy: -0.700 local terms energy: -253.692716 where: bonds (distance) C4'-P energy: -60.213 bonds (distance) P-C4' energy: -66.504 flat angles C4'-P-C4' energy: -68.159 flat angles P-C4'-P energy: -23.479 tors. eta vs tors. theta energy: -35.337 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: 7 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -333.042268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.042268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.042268 (E_RNA) where: Base-Base interactions energy: -161.191 where: short stacking energy: -102.789 Base-Backbone interact. energy: -2.542 local terms energy: -169.309814 where: bonds (distance) C4'-P energy: -43.892 bonds (distance) P-C4' energy: -51.601 flat angles C4'-P-C4' energy: -51.619 flat angles P-C4'-P energy: -23.190 tors. eta vs tors. theta energy: 0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -472.893145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.893145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.893145 (E_RNA) where: Base-Base interactions energy: -281.151 where: short stacking energy: -131.343 Base-Backbone interact. energy: -2.369 local terms energy: -189.373123 where: bonds (distance) C4'-P energy: -48.837 bonds (distance) P-C4' energy: -50.573 flat angles C4'-P-C4' energy: -45.100 flat angles P-C4'-P energy: -31.275 tors. eta vs tors. theta energy: -13.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1155.318134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.318134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.318134 (E_RNA) where: Base-Base interactions energy: -814.553 where: short stacking energy: -360.692 Base-Backbone interact. energy: -1.482 local terms energy: -339.283142 where: bonds (distance) C4'-P energy: -57.368 bonds (distance) P-C4' energy: -62.475 flat angles C4'-P-C4' energy: -70.697 flat angles P-C4'-P energy: -47.083 tors. eta vs tors. theta energy: -101.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1157.681263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.681263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.681263 (E_RNA) where: Base-Base interactions energy: -790.143 where: short stacking energy: -325.595 Base-Backbone interact. energy: -0.565 local terms energy: -366.972842 where: bonds (distance) C4'-P energy: -65.026 bonds (distance) P-C4' energy: -68.554 flat angles C4'-P-C4' energy: -75.881 flat angles P-C4'-P energy: -58.713 tors. eta vs tors. theta energy: -98.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1045.967272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.967272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.967272 (E_RNA) where: Base-Base interactions energy: -715.641 where: short stacking energy: -289.687 Base-Backbone interact. energy: -1.593 local terms energy: -328.733306 where: bonds (distance) C4'-P energy: -58.849 bonds (distance) P-C4' energy: -67.920 flat angles C4'-P-C4' energy: -65.181 flat angles P-C4'-P energy: -48.495 tors. eta vs tors. theta energy: -88.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -999.422843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.422843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.422843 (E_RNA) where: Base-Base interactions energy: -679.073 where: short stacking energy: -289.340 Base-Backbone interact. energy: -1.058 local terms energy: -319.291541 where: bonds (distance) C4'-P energy: -67.577 bonds (distance) P-C4' energy: -61.249 flat angles C4'-P-C4' energy: -59.384 flat angles P-C4'-P energy: -48.583 tors. eta vs tors. theta energy: -82.498 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: 9 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -927.468995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.468995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.468995 (E_RNA) where: Base-Base interactions energy: -659.989 where: short stacking energy: -275.819 Base-Backbone interact. energy: -0.571 local terms energy: -266.908707 where: bonds (distance) C4'-P energy: -50.614 bonds (distance) P-C4' energy: -53.237 flat angles C4'-P-C4' energy: -67.220 flat angles P-C4'-P energy: -33.932 tors. eta vs tors. theta energy: -61.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -903.279717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.279717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.279717 (E_RNA) where: Base-Base interactions energy: -594.990 where: short stacking energy: -240.742 Base-Backbone interact. energy: -2.041 local terms energy: -306.248302 where: bonds (distance) C4'-P energy: -59.927 bonds (distance) P-C4' energy: -67.976 flat angles C4'-P-C4' energy: -70.649 flat angles P-C4'-P energy: -39.168 tors. eta vs tors. theta energy: -68.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -803.178329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.178329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.178329 (E_RNA) where: Base-Base interactions energy: -515.384 where: short stacking energy: -225.784 Base-Backbone interact. energy: -1.584 local terms energy: -286.210472 where: bonds (distance) C4'-P energy: -59.571 bonds (distance) P-C4' energy: -56.618 flat angles C4'-P-C4' energy: -63.482 flat angles P-C4'-P energy: -42.968 tors. eta vs tors. theta energy: -63.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -753.449832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.449832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.449832 (E_RNA) where: Base-Base interactions energy: -512.048 where: short stacking energy: -228.279 Base-Backbone interact. energy: -2.220 local terms energy: -239.181696 where: bonds (distance) C4'-P energy: -47.944 bonds (distance) P-C4' energy: -44.978 flat angles C4'-P-C4' energy: -59.567 flat angles P-C4'-P energy: -38.579 tors. eta vs tors. theta energy: -48.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -309.931840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.931840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.931840 (E_RNA) where: Base-Base interactions energy: -133.448 where: short stacking energy: -102.652 Base-Backbone interact. energy: 2.356 local terms energy: -178.840199 where: bonds (distance) C4'-P energy: -56.486 bonds (distance) P-C4' energy: -51.129 flat angles C4'-P-C4' energy: -53.545 flat angles P-C4'-P energy: -19.485 tors. eta vs tors. theta energy: 1.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -434.010817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.010817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.010817 (E_RNA) where: Base-Base interactions energy: -231.648 where: short stacking energy: -125.694 Base-Backbone interact. energy: 3.581 local terms energy: -205.943873 where: bonds (distance) C4'-P energy: -49.793 bonds (distance) P-C4' energy: -55.857 flat angles C4'-P-C4' energy: -53.034 flat angles P-C4'-P energy: -28.745 tors. eta vs tors. theta energy: -18.515 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: 8 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1158.989704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.989704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.989704 (E_RNA) where: Base-Base interactions energy: -800.127 where: short stacking energy: -332.354 Base-Backbone interact. energy: -1.374 local terms energy: -357.488578 where: bonds (distance) C4'-P energy: -64.266 bonds (distance) P-C4' energy: -68.398 flat angles C4'-P-C4' energy: -74.904 flat angles P-C4'-P energy: -50.887 tors. eta vs tors. theta energy: -99.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1112.677826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.677826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.677826 (E_RNA) where: Base-Base interactions energy: -773.525 where: short stacking energy: -317.702 Base-Backbone interact. energy: -0.588 local terms energy: -338.564963 where: bonds (distance) C4'-P energy: -60.473 bonds (distance) P-C4' energy: -62.304 flat angles C4'-P-C4' energy: -63.173 flat angles P-C4'-P energy: -58.351 tors. eta vs tors. theta energy: -94.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1041.663867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.663867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.663867 (E_RNA) where: Base-Base interactions energy: -706.962 where: short stacking energy: -296.451 Base-Backbone interact. energy: -0.503 local terms energy: -334.199481 where: bonds (distance) C4'-P energy: -59.488 bonds (distance) P-C4' energy: -69.236 flat angles C4'-P-C4' energy: -73.731 flat angles P-C4'-P energy: -41.620 tors. eta vs tors. theta energy: -90.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -993.949287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.949287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.949287 (E_RNA) where: Base-Base interactions energy: -690.821 where: short stacking energy: -291.746 Base-Backbone interact. energy: 1.149 local terms energy: -304.276801 where: bonds (distance) C4'-P energy: -55.672 bonds (distance) P-C4' energy: -65.536 flat angles C4'-P-C4' energy: -64.675 flat angles P-C4'-P energy: -39.423 tors. eta vs tors. theta energy: -78.971 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: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -961.608953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.608953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.608953 (E_RNA) where: Base-Base interactions energy: -648.992 where: short stacking energy: -288.437 Base-Backbone interact. energy: 1.702 local terms energy: -314.318846 where: bonds (distance) C4'-P energy: -65.119 bonds (distance) P-C4' energy: -62.860 flat angles C4'-P-C4' energy: -65.090 flat angles P-C4'-P energy: -38.632 tors. eta vs tors. theta energy: -82.618 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: 6, replica: 9 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -905.538757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.538757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.538757 (E_RNA) where: Base-Base interactions energy: -623.577 where: short stacking energy: -248.190 Base-Backbone interact. energy: 7.913 local terms energy: -289.874393 where: bonds (distance) C4'-P energy: -52.666 bonds (distance) P-C4' energy: -66.508 flat angles C4'-P-C4' energy: -58.796 flat angles P-C4'-P energy: -49.816 tors. eta vs tors. theta energy: -62.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -812.688778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.688778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.688778 (E_RNA) where: Base-Base interactions energy: -528.380 where: short stacking energy: -234.623 Base-Backbone interact. energy: 0.882 local terms energy: -285.191072 where: bonds (distance) C4'-P energy: -65.804 bonds (distance) P-C4' energy: -54.446 flat angles C4'-P-C4' energy: -64.630 flat angles P-C4'-P energy: -42.192 tors. eta vs tors. theta energy: -58.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -754.614025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.614025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.614025 (E_RNA) where: Base-Base interactions energy: -513.788 where: short stacking energy: -215.373 Base-Backbone interact. energy: 1.342 local terms energy: -242.168144 where: bonds (distance) C4'-P energy: -44.264 bonds (distance) P-C4' energy: -55.390 flat angles C4'-P-C4' energy: -55.273 flat angles P-C4'-P energy: -38.495 tors. eta vs tors. theta energy: -48.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -442.412978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.412978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.412978 (E_RNA) where: Base-Base interactions energy: -238.889 where: short stacking energy: -113.929 Base-Backbone interact. energy: 1.693 local terms energy: -205.217085 where: bonds (distance) C4'-P energy: -35.469 bonds (distance) P-C4' energy: -63.598 flat angles C4'-P-C4' energy: -55.906 flat angles P-C4'-P energy: -30.714 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: 10, replica: 7 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -317.968229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.968229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.968229 (E_RNA) where: Base-Base interactions energy: -113.137 where: short stacking energy: -90.980 Base-Backbone interact. energy: -1.637 local terms energy: -203.193820 where: bonds (distance) C4'-P energy: -63.281 bonds (distance) P-C4' energy: -76.164 flat angles C4'-P-C4' energy: -47.603 flat angles P-C4'-P energy: -22.417 tors. eta vs tors. theta energy: 6.270 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: 8 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1172.414729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.414729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.414729 (E_RNA) where: Base-Base interactions energy: -827.493 where: short stacking energy: -356.349 Base-Backbone interact. energy: -1.718 local terms energy: -343.203021 where: bonds (distance) C4'-P energy: -63.213 bonds (distance) P-C4' energy: -58.262 flat angles C4'-P-C4' energy: -74.990 flat angles P-C4'-P energy: -46.074 tors. eta vs tors. theta energy: -100.664 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: 139 Temperature: 0.950000 Total energy: -1126.362789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.362789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.362789 (E_RNA) where: Base-Base interactions energy: -790.674 where: short stacking energy: -326.902 Base-Backbone interact. energy: -0.173 local terms energy: -335.515421 where: bonds (distance) C4'-P energy: -59.604 bonds (distance) P-C4' energy: -60.714 flat angles C4'-P-C4' energy: -65.782 flat angles P-C4'-P energy: -47.551 tors. eta vs tors. theta energy: -101.865 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: 6 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1044.906020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.906020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.906020 (E_RNA) where: Base-Base interactions energy: -724.901 where: short stacking energy: -300.112 Base-Backbone interact. energy: -1.491 local terms energy: -318.514002 where: bonds (distance) C4'-P energy: -65.504 bonds (distance) P-C4' energy: -61.198 flat angles C4'-P-C4' energy: -72.293 flat angles P-C4'-P energy: -33.656 tors. eta vs tors. theta energy: -85.863 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: 5 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -977.757771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.757771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.757771 (E_RNA) where: Base-Base interactions energy: -665.067 where: short stacking energy: -304.245 Base-Backbone interact. energy: 3.683 local terms energy: -316.373189 where: bonds (distance) C4'-P energy: -59.990 bonds (distance) P-C4' energy: -73.043 flat angles C4'-P-C4' energy: -64.810 flat angles P-C4'-P energy: -35.310 tors. eta vs tors. theta energy: -83.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -947.471793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.471793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.471793 (E_RNA) where: Base-Base interactions energy: -646.541 where: short stacking energy: -273.042 Base-Backbone interact. energy: -0.998 local terms energy: -299.933173 where: bonds (distance) C4'-P energy: -64.692 bonds (distance) P-C4' energy: -51.151 flat angles C4'-P-C4' energy: -61.235 flat angles P-C4'-P energy: -49.087 tors. eta vs tors. theta energy: -73.768 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: 9 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -904.230906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.230906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.230906 (E_RNA) where: Base-Base interactions energy: -633.846 where: short stacking energy: -277.035 Base-Backbone interact. energy: -0.746 local terms energy: -269.638859 where: bonds (distance) C4'-P energy: -50.707 bonds (distance) P-C4' energy: -59.183 flat angles C4'-P-C4' energy: -60.311 flat angles P-C4'-P energy: -31.122 tors. eta vs tors. theta energy: -68.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -786.367410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.367410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.367410 (E_RNA) where: Base-Base interactions energy: -519.176 where: short stacking energy: -229.276 Base-Backbone interact. energy: -0.446 local terms energy: -266.744728 where: bonds (distance) C4'-P energy: -61.832 bonds (distance) P-C4' energy: -52.719 flat angles C4'-P-C4' energy: -65.316 flat angles P-C4'-P energy: -27.751 tors. eta vs tors. theta energy: -59.126 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: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -755.087645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.087645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.087645 (E_RNA) where: Base-Base interactions energy: -516.543 where: short stacking energy: -204.853 Base-Backbone interact. energy: 0.809 local terms energy: -239.353417 where: bonds (distance) C4'-P energy: -61.637 bonds (distance) P-C4' energy: -53.328 flat angles C4'-P-C4' energy: -63.850 flat angles P-C4'-P energy: -16.760 tors. eta vs tors. theta energy: -43.778 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: 1 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -510.269534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.269534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.269534 (E_RNA) where: Base-Base interactions energy: -303.872 where: short stacking energy: -148.576 Base-Backbone interact. energy: 5.257 local terms energy: -211.654461 where: bonds (distance) C4'-P energy: -53.359 bonds (distance) P-C4' energy: -54.050 flat angles C4'-P-C4' energy: -50.194 flat angles P-C4'-P energy: -38.961 tors. eta vs tors. theta energy: -15.091 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: 139 Temperature: 1.350000 Total energy: -288.439006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.439006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.439006 (E_RNA) where: Base-Base interactions energy: -90.992 where: short stacking energy: -82.185 Base-Backbone interact. energy: -1.304 local terms energy: -196.143038 where: bonds (distance) C4'-P energy: -57.898 bonds (distance) P-C4' energy: -57.513 flat angles C4'-P-C4' energy: -48.559 flat angles P-C4'-P energy: -38.036 tors. eta vs tors. theta energy: 5.863 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: 8 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1179.140401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.140401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.140401 (E_RNA) where: Base-Base interactions energy: -812.304 where: short stacking energy: -350.807 Base-Backbone interact. energy: -1.181 local terms energy: -365.654997 where: bonds (distance) C4'-P energy: -67.215 bonds (distance) P-C4' energy: -66.673 flat angles C4'-P-C4' energy: -75.166 flat angles P-C4'-P energy: -54.245 tors. eta vs tors. theta energy: -102.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1120.303258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.303258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.303258 (E_RNA) where: Base-Base interactions energy: -772.320 where: short stacking energy: -326.846 Base-Backbone interact. energy: -0.914 local terms energy: -347.069414 where: bonds (distance) C4'-P energy: -72.056 bonds (distance) P-C4' energy: -61.324 flat angles C4'-P-C4' energy: -71.233 flat angles P-C4'-P energy: -44.789 tors. eta vs tors. theta energy: -97.667 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: 140 Temperature: 1.000000 Total energy: -1042.447116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.447116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.447116 (E_RNA) where: Base-Base interactions energy: -710.860 where: short stacking energy: -303.795 Base-Backbone interact. energy: -0.911 local terms energy: -330.676172 where: bonds (distance) C4'-P energy: -62.081 bonds (distance) P-C4' energy: -62.049 flat angles C4'-P-C4' energy: -72.033 flat angles P-C4'-P energy: -37.881 tors. eta vs tors. theta energy: -96.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -981.757564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.757564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.757564 (E_RNA) where: Base-Base interactions energy: -664.649 where: short stacking energy: -301.307 Base-Backbone interact. energy: -1.613 local terms energy: -315.496227 where: bonds (distance) C4'-P energy: -62.990 bonds (distance) P-C4' energy: -68.148 flat angles C4'-P-C4' energy: -65.936 flat angles P-C4'-P energy: -43.666 tors. eta vs tors. theta energy: -74.757 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: 3 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -936.940490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.940490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.940490 (E_RNA) where: Base-Base interactions energy: -620.942 where: short stacking energy: -281.066 Base-Backbone interact. energy: 1.767 local terms energy: -317.765573 where: bonds (distance) C4'-P energy: -64.738 bonds (distance) P-C4' energy: -61.515 flat angles C4'-P-C4' energy: -65.804 flat angles P-C4'-P energy: -48.723 tors. eta vs tors. theta energy: -76.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -907.076031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.076031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.076031 (E_RNA) where: Base-Base interactions energy: -641.794 where: short stacking energy: -253.301 Base-Backbone interact. energy: -0.012 local terms energy: -265.270154 where: bonds (distance) C4'-P energy: -45.258 bonds (distance) P-C4' energy: -56.009 flat angles C4'-P-C4' energy: -58.630 flat angles P-C4'-P energy: -38.878 tors. eta vs tors. theta energy: -66.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -804.819560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.819560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.819560 (E_RNA) where: Base-Base interactions energy: -528.126 where: short stacking energy: -230.151 Base-Backbone interact. energy: -0.718 local terms energy: -275.975070 where: bonds (distance) C4'-P energy: -57.651 bonds (distance) P-C4' energy: -59.619 flat angles C4'-P-C4' energy: -63.332 flat angles P-C4'-P energy: -38.048 tors. eta vs tors. theta energy: -57.325 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: 4 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -749.396111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.396111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.396111 (E_RNA) where: Base-Base interactions energy: -499.709 where: short stacking energy: -227.110 Base-Backbone interact. energy: -0.500 local terms energy: -249.187574 where: bonds (distance) C4'-P energy: -47.855 bonds (distance) P-C4' energy: -49.520 flat angles C4'-P-C4' energy: -64.010 flat angles P-C4'-P energy: -37.792 tors. eta vs tors. theta energy: -50.011 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: 1 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -498.229039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.229039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.229039 (E_RNA) where: Base-Base interactions energy: -310.685 where: short stacking energy: -148.989 Base-Backbone interact. energy: 7.257 local terms energy: -194.800990 where: bonds (distance) C4'-P energy: -59.116 bonds (distance) P-C4' energy: -56.925 flat angles C4'-P-C4' energy: -31.018 flat angles P-C4'-P energy: -30.233 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: 10, replica: 7 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -283.905807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.905807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.905807 (E_RNA) where: Base-Base interactions energy: -102.633 where: short stacking energy: -81.263 Base-Backbone interact. energy: -0.205 local terms energy: -181.068083 where: bonds (distance) C4'-P energy: -52.957 bonds (distance) P-C4' energy: -54.306 flat angles C4'-P-C4' energy: -44.619 flat angles P-C4'-P energy: -33.381 tors. eta vs tors. theta energy: 4.195 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: 8 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1177.582338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.582338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.582338 (E_RNA) where: Base-Base interactions energy: -797.276 where: short stacking energy: -337.316 Base-Backbone interact. energy: -0.483 local terms energy: -379.822622 where: bonds (distance) C4'-P energy: -71.400 bonds (distance) P-C4' energy: -64.246 flat angles C4'-P-C4' energy: -80.546 flat angles P-C4'-P energy: -63.760 tors. eta vs tors. theta energy: -99.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1127.926176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.926176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.926176 (E_RNA) where: Base-Base interactions energy: -770.705 where: short stacking energy: -340.431 Base-Backbone interact. energy: -0.361 local terms energy: -356.859418 where: bonds (distance) C4'-P energy: -71.232 bonds (distance) P-C4' energy: -70.875 flat angles C4'-P-C4' energy: -62.052 flat angles P-C4'-P energy: -52.257 tors. eta vs tors. theta energy: -100.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1074.385601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.385601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.385601 (E_RNA) where: Base-Base interactions energy: -744.746 where: short stacking energy: -333.596 Base-Backbone interact. energy: -0.610 local terms energy: -329.029444 where: bonds (distance) C4'-P energy: -65.142 bonds (distance) P-C4' energy: -54.168 flat angles C4'-P-C4' energy: -73.999 flat angles P-C4'-P energy: -31.375 tors. eta vs tors. theta energy: -104.346 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: 141 Temperature: 1.050000 Total energy: -982.999498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.999498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.999498 (E_RNA) where: Base-Base interactions energy: -672.361 where: short stacking energy: -274.602 Base-Backbone interact. energy: -3.120 local terms energy: -307.518215 where: bonds (distance) C4'-P energy: -57.457 bonds (distance) P-C4' energy: -53.147 flat angles C4'-P-C4' energy: -71.070 flat angles P-C4'-P energy: -51.800 tors. eta vs tors. theta energy: -74.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -970.895352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.895352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.895352 (E_RNA) where: Base-Base interactions energy: -662.690 where: short stacking energy: -291.290 Base-Backbone interact. energy: -0.429 local terms energy: -307.776371 where: bonds (distance) C4'-P energy: -56.918 bonds (distance) P-C4' energy: -69.346 flat angles C4'-P-C4' energy: -58.617 flat angles P-C4'-P energy: -35.906 tors. eta vs tors. theta energy: -86.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -908.442321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.442321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.442321 (E_RNA) where: Base-Base interactions energy: -626.303 where: short stacking energy: -248.443 Base-Backbone interact. energy: 3.915 local terms energy: -286.053846 where: bonds (distance) C4'-P energy: -53.561 bonds (distance) P-C4' energy: -62.048 flat angles C4'-P-C4' energy: -67.386 flat angles P-C4'-P energy: -35.049 tors. eta vs tors. theta energy: -68.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -792.426075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.426075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.426075 (E_RNA) where: Base-Base interactions energy: -513.126 where: short stacking energy: -249.257 Base-Backbone interact. energy: 0.851 local terms energy: -280.151864 where: bonds (distance) C4'-P energy: -54.956 bonds (distance) P-C4' energy: -58.842 flat angles C4'-P-C4' energy: -60.809 flat angles P-C4'-P energy: -36.941 tors. eta vs tors. theta energy: -68.603 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: 8, replica: 4 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -759.525929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.525929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.525929 (E_RNA) where: Base-Base interactions energy: -506.086 where: short stacking energy: -209.899 Base-Backbone interact. energy: -0.387 local terms energy: -253.052780 where: bonds (distance) C4'-P energy: -47.841 bonds (distance) P-C4' energy: -53.486 flat angles C4'-P-C4' energy: -58.856 flat angles P-C4'-P energy: -38.396 tors. eta vs tors. theta energy: -54.474 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: 9, replica: 1 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -507.861182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.861182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.861182 (E_RNA) where: Base-Base interactions energy: -305.761 where: short stacking energy: -135.190 Base-Backbone interact. energy: -1.030 local terms energy: -201.070386 where: bonds (distance) C4'-P energy: -56.470 bonds (distance) P-C4' energy: -49.759 flat angles C4'-P-C4' energy: -46.180 flat angles P-C4'-P energy: -36.790 tors. eta vs tors. theta energy: -11.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -291.235944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.235944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.235944 (E_RNA) where: Base-Base interactions energy: -117.786 where: short stacking energy: -84.125 Base-Backbone interact. energy: -0.812 local terms energy: -172.638081 where: bonds (distance) C4'-P energy: -61.323 bonds (distance) P-C4' energy: -49.779 flat angles C4'-P-C4' energy: -50.235 flat angles P-C4'-P energy: -22.212 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: 1, replica: 8 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1181.247857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.247857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.247857 (E_RNA) where: Base-Base interactions energy: -827.667 where: short stacking energy: -345.548 Base-Backbone interact. energy: 0.629 local terms energy: -354.209833 where: bonds (distance) C4'-P energy: -62.335 bonds (distance) P-C4' energy: -69.261 flat angles C4'-P-C4' energy: -72.198 flat angles P-C4'-P energy: -50.239 tors. eta vs tors. theta energy: -100.176 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: 2, replica: 10 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1142.751881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.751881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.751881 (E_RNA) where: Base-Base interactions energy: -783.274 where: short stacking energy: -339.242 Base-Backbone interact. energy: -1.497 local terms energy: -357.980964 where: bonds (distance) C4'-P energy: -64.890 bonds (distance) P-C4' energy: -65.458 flat angles C4'-P-C4' energy: -73.556 flat angles P-C4'-P energy: -51.451 tors. eta vs tors. theta energy: -102.626 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: 6 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1067.682527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.682527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.682527 (E_RNA) where: Base-Base interactions energy: -736.489 where: short stacking energy: -333.298 Base-Backbone interact. energy: 0.147 local terms energy: -331.340630 where: bonds (distance) C4'-P energy: -61.691 bonds (distance) P-C4' energy: -67.299 flat angles C4'-P-C4' energy: -69.664 flat angles P-C4'-P energy: -33.285 tors. eta vs tors. theta energy: -99.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1000.910053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.910053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.910053 (E_RNA) where: Base-Base interactions energy: -691.126 where: short stacking energy: -297.815 Base-Backbone interact. energy: -1.902 local terms energy: -307.882274 where: bonds (distance) C4'-P energy: -49.990 bonds (distance) P-C4' energy: -64.523 flat angles C4'-P-C4' energy: -68.488 flat angles P-C4'-P energy: -40.514 tors. eta vs tors. theta energy: -84.368 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: 5 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -954.140924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.140924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.140924 (E_RNA) where: Base-Base interactions energy: -648.366 where: short stacking energy: -287.529 Base-Backbone interact. energy: -1.170 local terms energy: -304.604462 where: bonds (distance) C4'-P energy: -60.934 bonds (distance) P-C4' energy: -56.898 flat angles C4'-P-C4' energy: -74.199 flat angles P-C4'-P energy: -34.906 tors. eta vs tors. theta energy: -77.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -902.526460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.526460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.526460 (E_RNA) where: Base-Base interactions energy: -631.930 where: short stacking energy: -263.001 Base-Backbone interact. energy: -0.574 local terms energy: -270.022759 where: bonds (distance) C4'-P energy: -45.006 bonds (distance) P-C4' energy: -56.995 flat angles C4'-P-C4' energy: -62.983 flat angles P-C4'-P energy: -35.115 tors. eta vs tors. theta energy: -69.923 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: 2 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -776.680784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.680784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.680784 (E_RNA) where: Base-Base interactions energy: -499.908 where: short stacking energy: -221.077 Base-Backbone interact. energy: -2.141 local terms energy: -274.631036 where: bonds (distance) C4'-P energy: -56.493 bonds (distance) P-C4' energy: -51.678 flat angles C4'-P-C4' energy: -63.015 flat angles P-C4'-P energy: -45.119 tors. eta vs tors. theta energy: -58.326 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: 142 Temperature: 1.250000 Total energy: -705.783948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.783948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.783948 (E_RNA) where: Base-Base interactions energy: -467.047 where: short stacking energy: -217.712 Base-Backbone interact. energy: 5.055 local terms energy: -243.792308 where: bonds (distance) C4'-P energy: -51.713 bonds (distance) P-C4' energy: -52.630 flat angles C4'-P-C4' energy: -63.287 flat angles P-C4'-P energy: -32.415 tors. eta vs tors. theta energy: -43.747 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: 1 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -449.552695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.552695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.552695 (E_RNA) where: Base-Base interactions energy: -259.072 where: short stacking energy: -121.057 Base-Backbone interact. energy: -0.327 local terms energy: -190.153531 where: bonds (distance) C4'-P energy: -58.598 bonds (distance) P-C4' energy: -46.361 flat angles C4'-P-C4' energy: -40.584 flat angles P-C4'-P energy: -32.452 tors. eta vs tors. theta energy: -12.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -306.718380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.718380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.718380 (E_RNA) where: Base-Base interactions energy: -146.475 where: short stacking energy: -111.034 Base-Backbone interact. energy: 1.451 local terms energy: -161.694393 where: bonds (distance) C4'-P energy: -49.253 bonds (distance) P-C4' energy: -49.725 flat angles C4'-P-C4' energy: -37.488 flat angles P-C4'-P energy: -33.253 tors. eta vs tors. theta energy: 8.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1166.621391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.621391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.621391 (E_RNA) where: Base-Base interactions energy: -812.076 where: short stacking energy: -353.494 Base-Backbone interact. energy: 1.035 local terms energy: -355.580797 where: bonds (distance) C4'-P energy: -59.375 bonds (distance) P-C4' energy: -68.828 flat angles C4'-P-C4' energy: -74.069 flat angles P-C4'-P energy: -54.402 tors. eta vs tors. theta energy: -98.907 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: 10 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1145.757916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.757916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.757916 (E_RNA) where: Base-Base interactions energy: -789.231 where: short stacking energy: -332.953 Base-Backbone interact. energy: -1.961 local terms energy: -354.565474 where: bonds (distance) C4'-P energy: -61.129 bonds (distance) P-C4' energy: -67.093 flat angles C4'-P-C4' energy: -71.851 flat angles P-C4'-P energy: -50.054 tors. eta vs tors. theta energy: -104.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1072.800712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.800712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.800712 (E_RNA) where: Base-Base interactions energy: -739.294 where: short stacking energy: -315.509 Base-Backbone interact. energy: -2.242 local terms energy: -331.265078 where: bonds (distance) C4'-P energy: -60.949 bonds (distance) P-C4' energy: -59.231 flat angles C4'-P-C4' energy: -71.306 flat angles P-C4'-P energy: -41.908 tors. eta vs tors. theta energy: -97.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1029.037493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.037493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.037493 (E_RNA) where: Base-Base interactions energy: -711.706 where: short stacking energy: -302.064 Base-Backbone interact. energy: -2.183 local terms energy: -315.148473 where: bonds (distance) C4'-P energy: -47.210 bonds (distance) P-C4' energy: -69.996 flat angles C4'-P-C4' energy: -70.678 flat angles P-C4'-P energy: -35.121 tors. eta vs tors. theta energy: -92.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1006.103210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.103210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.103210 (E_RNA) where: Base-Base interactions energy: -680.031 where: short stacking energy: -302.050 Base-Backbone interact. energy: 0.502 local terms energy: -326.573934 where: bonds (distance) C4'-P energy: -56.042 bonds (distance) P-C4' energy: -63.267 flat angles C4'-P-C4' energy: -69.912 flat angles P-C4'-P energy: -51.280 tors. eta vs tors. theta energy: -86.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -893.053978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.053978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.053978 (E_RNA) where: Base-Base interactions energy: -613.157 where: short stacking energy: -247.578 Base-Backbone interact. energy: 2.603 local terms energy: -282.500312 where: bonds (distance) C4'-P energy: -53.415 bonds (distance) P-C4' energy: -62.028 flat angles C4'-P-C4' energy: -69.684 flat angles P-C4'-P energy: -42.186 tors. eta vs tors. theta energy: -55.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -785.700957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.700957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.700957 (E_RNA) where: Base-Base interactions energy: -530.935 where: short stacking energy: -234.216 Base-Backbone interact. energy: 1.815 local terms energy: -256.580778 where: bonds (distance) C4'-P energy: -45.965 bonds (distance) P-C4' energy: -57.025 flat angles C4'-P-C4' energy: -58.628 flat angles P-C4'-P energy: -40.731 tors. eta vs tors. theta energy: -54.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -741.394499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.394499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.394499 (E_RNA) where: Base-Base interactions energy: -485.892 where: short stacking energy: -199.394 Base-Backbone interact. energy: -1.623 local terms energy: -253.879772 where: bonds (distance) C4'-P energy: -50.882 bonds (distance) P-C4' energy: -52.699 flat angles C4'-P-C4' energy: -67.541 flat angles P-C4'-P energy: -41.615 tors. eta vs tors. theta energy: -41.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -401.424411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.424411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.424411 (E_RNA) where: Base-Base interactions energy: -224.302 where: short stacking energy: -118.450 Base-Backbone interact. energy: -2.133 local terms energy: -174.989663 where: bonds (distance) C4'-P energy: -56.568 bonds (distance) P-C4' energy: -50.870 flat angles C4'-P-C4' energy: -52.595 flat angles P-C4'-P energy: -23.561 tors. eta vs tors. theta energy: 8.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -268.462048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.462048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.462048 (E_RNA) where: Base-Base interactions energy: -113.650 where: short stacking energy: -93.050 Base-Backbone interact. energy: -0.626 local terms energy: -154.186110 where: bonds (distance) C4'-P energy: -47.580 bonds (distance) P-C4' energy: -58.903 flat angles C4'-P-C4' energy: -43.510 flat angles P-C4'-P energy: -13.208 tors. eta vs tors. theta energy: 9.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1162.039696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.039696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.039696 (E_RNA) where: Base-Base interactions energy: -815.152 where: short stacking energy: -355.032 Base-Backbone interact. energy: -0.906 local terms energy: -345.981583 where: bonds (distance) C4'-P energy: -68.480 bonds (distance) P-C4' energy: -56.116 flat angles C4'-P-C4' energy: -71.310 flat angles P-C4'-P energy: -47.777 tors. eta vs tors. theta energy: -102.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1114.116559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.116559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.116559 (E_RNA) where: Base-Base interactions energy: -767.867 where: short stacking energy: -332.104 Base-Backbone interact. energy: -0.954 local terms energy: -345.295424 where: bonds (distance) C4'-P energy: -60.656 bonds (distance) P-C4' energy: -55.491 flat angles C4'-P-C4' energy: -81.123 flat angles P-C4'-P energy: -43.234 tors. eta vs tors. theta energy: -104.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1034.625032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.625032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.625032 (E_RNA) where: Base-Base interactions energy: -720.965 where: short stacking energy: -312.732 Base-Backbone interact. energy: -1.015 local terms energy: -312.645018 where: bonds (distance) C4'-P energy: -48.847 bonds (distance) P-C4' energy: -50.270 flat angles C4'-P-C4' energy: -73.887 flat angles P-C4'-P energy: -49.500 tors. eta vs tors. theta energy: -90.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1015.998593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.998593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.998593 (E_RNA) where: Base-Base interactions energy: -697.990 where: short stacking energy: -284.920 Base-Backbone interact. energy: -0.576 local terms energy: -317.432029 where: bonds (distance) C4'-P energy: -58.070 bonds (distance) P-C4' energy: -67.205 flat angles C4'-P-C4' energy: -62.286 flat angles P-C4'-P energy: -46.121 tors. eta vs tors. theta energy: -83.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -967.914628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.914628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.914628 (E_RNA) where: Base-Base interactions energy: -647.437 where: short stacking energy: -291.279 Base-Backbone interact. energy: -1.306 local terms energy: -319.172145 where: bonds (distance) C4'-P energy: -53.288 bonds (distance) P-C4' energy: -61.805 flat angles C4'-P-C4' energy: -71.609 flat angles P-C4'-P energy: -44.958 tors. eta vs tors. theta energy: -87.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -928.231200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.231200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.231200 (E_RNA) where: Base-Base interactions energy: -637.159 where: short stacking energy: -258.752 Base-Backbone interact. energy: -0.707 local terms energy: -290.366150 where: bonds (distance) C4'-P energy: -59.458 bonds (distance) P-C4' energy: -60.334 flat angles C4'-P-C4' energy: -63.482 flat angles P-C4'-P energy: -45.134 tors. eta vs tors. theta energy: -61.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -747.354000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.354000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.354000 (E_RNA) where: Base-Base interactions energy: -499.369 where: short stacking energy: -216.448 Base-Backbone interact. energy: -1.570 local terms energy: -246.415400 where: bonds (distance) C4'-P energy: -55.126 bonds (distance) P-C4' energy: -50.014 flat angles C4'-P-C4' energy: -60.176 flat angles P-C4'-P energy: -36.931 tors. eta vs tors. theta energy: -44.168 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: 2 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -748.004485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.004485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.004485 (E_RNA) where: Base-Base interactions energy: -487.210 where: short stacking energy: -214.548 Base-Backbone interact. energy: -2.308 local terms energy: -258.486033 where: bonds (distance) C4'-P energy: -54.036 bonds (distance) P-C4' energy: -47.122 flat angles C4'-P-C4' energy: -62.280 flat angles P-C4'-P energy: -40.220 tors. eta vs tors. theta energy: -54.827 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: 9, replica: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -445.229300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.229300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.229300 (E_RNA) where: Base-Base interactions energy: -236.236 where: short stacking energy: -149.724 Base-Backbone interact. energy: 1.263 local terms energy: -210.256565 where: bonds (distance) C4'-P energy: -55.194 bonds (distance) P-C4' energy: -58.105 flat angles C4'-P-C4' energy: -46.452 flat angles P-C4'-P energy: -31.978 tors. eta vs tors. theta energy: -18.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -293.107013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.107013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.107013 (E_RNA) where: Base-Base interactions energy: -123.137 where: short stacking energy: -98.524 Base-Backbone interact. energy: 0.715 local terms energy: -170.685009 where: bonds (distance) C4'-P energy: -50.011 bonds (distance) P-C4' energy: -51.984 flat angles C4'-P-C4' energy: -40.131 flat angles P-C4'-P energy: -31.906 tors. eta vs tors. theta energy: 3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1194.018716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.018716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.018716 (E_RNA) where: Base-Base interactions energy: -835.142 where: short stacking energy: -355.180 Base-Backbone interact. energy: -1.285 local terms energy: -357.592367 where: bonds (distance) C4'-P energy: -69.330 bonds (distance) P-C4' energy: -65.249 flat angles C4'-P-C4' energy: -70.660 flat angles P-C4'-P energy: -46.937 tors. eta vs tors. theta energy: -105.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1115.266939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.266939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.266939 (E_RNA) where: Base-Base interactions energy: -763.393 where: short stacking energy: -324.819 Base-Backbone interact. energy: -1.319 local terms energy: -350.555753 where: bonds (distance) C4'-P energy: -65.501 bonds (distance) P-C4' energy: -60.808 flat angles C4'-P-C4' energy: -76.280 flat angles P-C4'-P energy: -51.987 tors. eta vs tors. theta energy: -95.980 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: 3 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1047.914903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.914903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.914903 (E_RNA) where: Base-Base interactions energy: -723.646 where: short stacking energy: -318.819 Base-Backbone interact. energy: -2.102 local terms energy: -322.167072 where: bonds (distance) C4'-P energy: -62.395 bonds (distance) P-C4' energy: -60.894 flat angles C4'-P-C4' energy: -61.791 flat angles P-C4'-P energy: -50.480 tors. eta vs tors. theta energy: -86.607 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: 6 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1000.982890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.982890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.982890 (E_RNA) where: Base-Base interactions energy: -691.298 where: short stacking energy: -282.284 Base-Backbone interact. energy: -1.423 local terms energy: -308.261914 where: bonds (distance) C4'-P energy: -60.497 bonds (distance) P-C4' energy: -54.638 flat angles C4'-P-C4' energy: -60.434 flat angles P-C4'-P energy: -47.368 tors. eta vs tors. theta energy: -85.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -944.770702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.770702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.770702 (E_RNA) where: Base-Base interactions energy: -639.736 where: short stacking energy: -295.465 Base-Backbone interact. energy: -0.890 local terms energy: -304.144395 where: bonds (distance) C4'-P energy: -61.189 bonds (distance) P-C4' energy: -48.341 flat angles C4'-P-C4' energy: -67.302 flat angles P-C4'-P energy: -45.975 tors. eta vs tors. theta energy: -81.338 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: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -911.672206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.672206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.672206 (E_RNA) where: Base-Base interactions energy: -631.537 where: short stacking energy: -252.045 Base-Backbone interact. energy: -0.991 local terms energy: -279.144072 where: bonds (distance) C4'-P energy: -57.981 bonds (distance) P-C4' energy: -58.024 flat angles C4'-P-C4' energy: -60.650 flat angles P-C4'-P energy: -42.605 tors. eta vs tors. theta energy: -59.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -773.930496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.930496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.930496 (E_RNA) where: Base-Base interactions energy: -520.518 where: short stacking energy: -218.063 Base-Backbone interact. energy: -0.726 local terms energy: -252.686681 where: bonds (distance) C4'-P energy: -59.727 bonds (distance) P-C4' energy: -47.492 flat angles C4'-P-C4' energy: -54.523 flat angles P-C4'-P energy: -38.298 tors. eta vs tors. theta energy: -52.646 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: 2 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -715.508679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.508679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.508679 (E_RNA) where: Base-Base interactions energy: -467.186 where: short stacking energy: -223.251 Base-Backbone interact. energy: 3.462 local terms energy: -251.784934 where: bonds (distance) C4'-P energy: -42.046 bonds (distance) P-C4' energy: -49.551 flat angles C4'-P-C4' energy: -70.579 flat angles P-C4'-P energy: -31.694 tors. eta vs tors. theta energy: -57.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -420.933444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.933444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.933444 (E_RNA) where: Base-Base interactions energy: -233.742 where: short stacking energy: -114.272 Base-Backbone interact. energy: -1.262 local terms energy: -185.929116 where: bonds (distance) C4'-P energy: -57.012 bonds (distance) P-C4' energy: -53.478 flat angles C4'-P-C4' energy: -40.396 flat angles P-C4'-P energy: -34.150 tors. eta vs tors. theta energy: -0.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -264.540902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.540902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.540902 (E_RNA) where: Base-Base interactions energy: -90.560 where: short stacking energy: -59.749 Base-Backbone interact. energy: 0.266 local terms energy: -174.246489 where: bonds (distance) C4'-P energy: -49.151 bonds (distance) P-C4' energy: -52.657 flat angles C4'-P-C4' energy: -45.290 flat angles P-C4'-P energy: -37.674 tors. eta vs tors. theta energy: 10.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1182.773899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.773899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.773899 (E_RNA) where: Base-Base interactions energy: -818.582 where: short stacking energy: -347.732 Base-Backbone interact. energy: -3.953 local terms energy: -360.238996 where: bonds (distance) C4'-P energy: -57.741 bonds (distance) P-C4' energy: -61.551 flat angles C4'-P-C4' energy: -79.228 flat angles P-C4'-P energy: -56.621 tors. eta vs tors. theta energy: -105.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1121.944885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.944885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.944885 (E_RNA) where: Base-Base interactions energy: -776.572 where: short stacking energy: -344.801 Base-Backbone interact. energy: -1.122 local terms energy: -344.251130 where: bonds (distance) C4'-P energy: -61.648 bonds (distance) P-C4' energy: -62.651 flat angles C4'-P-C4' energy: -76.324 flat angles P-C4'-P energy: -47.989 tors. eta vs tors. theta energy: -95.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1050.027588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.027588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.027588 (E_RNA) where: Base-Base interactions energy: -709.923 where: short stacking energy: -308.988 Base-Backbone interact. energy: -0.370 local terms energy: -339.734137 where: bonds (distance) C4'-P energy: -63.489 bonds (distance) P-C4' energy: -66.727 flat angles C4'-P-C4' energy: -74.012 flat angles P-C4'-P energy: -45.397 tors. eta vs tors. theta energy: -90.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -980.811460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.811460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.811460 (E_RNA) where: Base-Base interactions energy: -680.503 where: short stacking energy: -278.323 Base-Backbone interact. energy: -0.393 local terms energy: -299.914967 where: bonds (distance) C4'-P energy: -50.482 bonds (distance) P-C4' energy: -60.041 flat angles C4'-P-C4' energy: -68.160 flat angles P-C4'-P energy: -44.381 tors. eta vs tors. theta energy: -76.850 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: 5 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -953.592140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.592140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.592140 (E_RNA) where: Base-Base interactions energy: -652.192 where: short stacking energy: -291.783 Base-Backbone interact. energy: -1.033 local terms energy: -300.367168 where: bonds (distance) C4'-P energy: -56.398 bonds (distance) P-C4' energy: -51.484 flat angles C4'-P-C4' energy: -67.775 flat angles P-C4'-P energy: -42.100 tors. eta vs tors. theta energy: -82.610 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: 9 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -898.882140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.882140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.882140 (E_RNA) where: Base-Base interactions energy: -632.385 where: short stacking energy: -263.824 Base-Backbone interact. energy: -1.521 local terms energy: -264.976495 where: bonds (distance) C4'-P energy: -58.716 bonds (distance) P-C4' energy: -47.196 flat angles C4'-P-C4' energy: -62.670 flat angles P-C4'-P energy: -40.319 tors. eta vs tors. theta energy: -56.075 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: 7, replica: 4 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -772.252455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.252455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.252455 (E_RNA) where: Base-Base interactions energy: -517.612 where: short stacking energy: -232.384 Base-Backbone interact. energy: -0.826 local terms energy: -253.814056 where: bonds (distance) C4'-P energy: -54.452 bonds (distance) P-C4' energy: -49.253 flat angles C4'-P-C4' energy: -54.824 flat angles P-C4'-P energy: -37.507 tors. eta vs tors. theta energy: -57.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -752.533286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.533286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.533286 (E_RNA) where: Base-Base interactions energy: -506.377 where: short stacking energy: -224.653 Base-Backbone interact. energy: 4.906 local terms energy: -251.061450 where: bonds (distance) C4'-P energy: -57.592 bonds (distance) P-C4' energy: -48.013 flat angles C4'-P-C4' energy: -59.248 flat angles P-C4'-P energy: -38.550 tors. eta vs tors. theta energy: -47.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -494.084433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.084433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.084433 (E_RNA) where: Base-Base interactions energy: -282.411 where: short stacking energy: -149.240 Base-Backbone interact. energy: -2.256 local terms energy: -209.418216 where: bonds (distance) C4'-P energy: -50.680 bonds (distance) P-C4' energy: -54.772 flat angles C4'-P-C4' energy: -61.896 flat angles P-C4'-P energy: -26.431 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: 10, replica: 7 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -343.433966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.433966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.433966 (E_RNA) where: Base-Base interactions energy: -163.366 where: short stacking energy: -121.755 Base-Backbone interact. energy: -1.195 local terms energy: -178.872945 where: bonds (distance) C4'-P energy: -50.189 bonds (distance) P-C4' energy: -45.797 flat angles C4'-P-C4' energy: -43.724 flat angles P-C4'-P energy: -22.668 tors. eta vs tors. theta energy: -16.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1178.144484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.144484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.144484 (E_RNA) where: Base-Base interactions energy: -814.570 where: short stacking energy: -373.183 Base-Backbone interact. energy: -0.697 local terms energy: -362.878291 where: bonds (distance) C4'-P energy: -59.500 bonds (distance) P-C4' energy: -65.188 flat angles C4'-P-C4' energy: -76.391 flat angles P-C4'-P energy: -54.825 tors. eta vs tors. theta energy: -106.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1108.273334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.273334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.273334 (E_RNA) where: Base-Base interactions energy: -761.057 where: short stacking energy: -317.947 Base-Backbone interact. energy: 0.260 local terms energy: -347.476384 where: bonds (distance) C4'-P energy: -67.795 bonds (distance) P-C4' energy: -68.085 flat angles C4'-P-C4' energy: -72.575 flat angles P-C4'-P energy: -48.380 tors. eta vs tors. theta energy: -90.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1010.230269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.230269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.230269 (E_RNA) where: Base-Base interactions energy: -711.981 where: short stacking energy: -302.496 Base-Backbone interact. energy: -1.656 local terms energy: -296.593508 where: bonds (distance) C4'-P energy: -54.105 bonds (distance) P-C4' energy: -56.391 flat angles C4'-P-C4' energy: -61.518 flat angles P-C4'-P energy: -40.024 tors. eta vs tors. theta energy: -84.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1014.053470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.053470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.053470 (E_RNA) where: Base-Base interactions energy: -716.291 where: short stacking energy: -292.609 Base-Backbone interact. energy: 0.523 local terms energy: -298.285776 where: bonds (distance) C4'-P energy: -56.332 bonds (distance) P-C4' energy: -52.123 flat angles C4'-P-C4' energy: -56.974 flat angles P-C4'-P energy: -51.224 tors. eta vs tors. theta energy: -81.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -933.118099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.118099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.118099 (E_RNA) where: Base-Base interactions energy: -626.673 where: short stacking energy: -281.344 Base-Backbone interact. energy: -0.140 local terms energy: -306.304448 where: bonds (distance) C4'-P energy: -51.340 bonds (distance) P-C4' energy: -66.871 flat angles C4'-P-C4' energy: -66.639 flat angles P-C4'-P energy: -46.431 tors. eta vs tors. theta energy: -75.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -912.296347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.296347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.296347 (E_RNA) where: Base-Base interactions energy: -645.656 where: short stacking energy: -268.685 Base-Backbone interact. energy: -0.941 local terms energy: -265.699902 where: bonds (distance) C4'-P energy: -37.753 bonds (distance) P-C4' energy: -63.339 flat angles C4'-P-C4' energy: -61.475 flat angles P-C4'-P energy: -30.407 tors. eta vs tors. theta energy: -72.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -769.088317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.088317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.088317 (E_RNA) where: Base-Base interactions energy: -515.060 where: short stacking energy: -229.888 Base-Backbone interact. energy: -1.570 local terms energy: -252.457919 where: bonds (distance) C4'-P energy: -50.480 bonds (distance) P-C4' energy: -56.640 flat angles C4'-P-C4' energy: -55.637 flat angles P-C4'-P energy: -30.348 tors. eta vs tors. theta energy: -59.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -779.927126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.927126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.927126 (E_RNA) where: Base-Base interactions energy: -502.758 where: short stacking energy: -226.766 Base-Backbone interact. energy: -0.275 local terms energy: -276.893606 where: bonds (distance) C4'-P energy: -55.519 bonds (distance) P-C4' energy: -64.828 flat angles C4'-P-C4' energy: -54.929 flat angles P-C4'-P energy: -43.906 tors. eta vs tors. theta energy: -57.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -481.398468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.398468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.398468 (E_RNA) where: Base-Base interactions energy: -284.504 where: short stacking energy: -143.316 Base-Backbone interact. energy: 1.630 local terms energy: -198.523575 where: bonds (distance) C4'-P energy: -56.722 bonds (distance) P-C4' energy: -53.702 flat angles C4'-P-C4' energy: -42.680 flat angles P-C4'-P energy: -36.981 tors. eta vs tors. theta energy: -8.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -311.754040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.754040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.754040 (E_RNA) where: Base-Base interactions energy: -151.473 where: short stacking energy: -91.014 Base-Backbone interact. energy: -1.187 local terms energy: -159.093860 where: bonds (distance) C4'-P energy: -55.639 bonds (distance) P-C4' energy: -50.758 flat angles C4'-P-C4' energy: -36.585 flat angles P-C4'-P energy: -24.581 tors. eta vs tors. theta energy: 8.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1180.451049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.451049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.451049 (E_RNA) where: Base-Base interactions energy: -832.035 where: short stacking energy: -367.035 Base-Backbone interact. energy: -2.027 local terms energy: -346.389160 where: bonds (distance) C4'-P energy: -56.793 bonds (distance) P-C4' energy: -58.059 flat angles C4'-P-C4' energy: -71.960 flat angles P-C4'-P energy: -55.011 tors. eta vs tors. theta energy: -104.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1123.948035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.948035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.948035 (E_RNA) where: Base-Base interactions energy: -773.677 where: short stacking energy: -334.246 Base-Backbone interact. energy: -0.803 local terms energy: -349.467747 where: bonds (distance) C4'-P energy: -67.645 bonds (distance) P-C4' energy: -61.984 flat angles C4'-P-C4' energy: -73.569 flat angles P-C4'-P energy: -48.065 tors. eta vs tors. theta energy: -98.205 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: 3 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1006.519433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.519433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.519433 (E_RNA) where: Base-Base interactions energy: -695.865 where: short stacking energy: -307.899 Base-Backbone interact. energy: -2.104 local terms energy: -308.550486 where: bonds (distance) C4'-P energy: -52.989 bonds (distance) P-C4' energy: -54.741 flat angles C4'-P-C4' energy: -73.725 flat angles P-C4'-P energy: -45.168 tors. eta vs tors. theta energy: -81.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1002.241062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.241062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.241062 (E_RNA) where: Base-Base interactions energy: -683.518 where: short stacking energy: -285.797 Base-Backbone interact. energy: -1.400 local terms energy: -317.323166 where: bonds (distance) C4'-P energy: -65.558 bonds (distance) P-C4' energy: -56.803 flat angles C4'-P-C4' energy: -70.054 flat angles P-C4'-P energy: -47.512 tors. eta vs tors. theta energy: -77.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -928.700164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.700164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.700164 (E_RNA) where: Base-Base interactions energy: -615.993 where: short stacking energy: -284.884 Base-Backbone interact. energy: 0.415 local terms energy: -313.122571 where: bonds (distance) C4'-P energy: -58.860 bonds (distance) P-C4' energy: -64.080 flat angles C4'-P-C4' energy: -65.433 flat angles P-C4'-P energy: -40.270 tors. eta vs tors. theta energy: -84.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -878.089018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.089018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.089018 (E_RNA) where: Base-Base interactions energy: -622.976 where: short stacking energy: -249.678 Base-Backbone interact. energy: -1.412 local terms energy: -253.701266 where: bonds (distance) C4'-P energy: -43.390 bonds (distance) P-C4' energy: -60.054 flat angles C4'-P-C4' energy: -54.265 flat angles P-C4'-P energy: -36.874 tors. eta vs tors. theta energy: -59.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -779.269931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.269931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.269931 (E_RNA) where: Base-Base interactions energy: -531.706 where: short stacking energy: -194.576 Base-Backbone interact. energy: -1.015 local terms energy: -246.548382 where: bonds (distance) C4'-P energy: -59.149 bonds (distance) P-C4' energy: -59.335 flat angles C4'-P-C4' energy: -59.480 flat angles P-C4'-P energy: -28.144 tors. eta vs tors. theta energy: -40.441 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: 8, replica: 2 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -749.178427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.178427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.178427 (E_RNA) where: Base-Base interactions energy: -495.511 where: short stacking energy: -224.417 Base-Backbone interact. energy: -0.559 local terms energy: -253.108790 where: bonds (distance) C4'-P energy: -48.779 bonds (distance) P-C4' energy: -62.591 flat angles C4'-P-C4' energy: -57.896 flat angles P-C4'-P energy: -30.838 tors. eta vs tors. theta energy: -53.004 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: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -502.570747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.570747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.570747 (E_RNA) where: Base-Base interactions energy: -291.939 where: short stacking energy: -139.744 Base-Backbone interact. energy: -1.458 local terms energy: -209.173792 where: bonds (distance) C4'-P energy: -47.271 bonds (distance) P-C4' energy: -52.473 flat angles C4'-P-C4' energy: -52.072 flat angles P-C4'-P energy: -33.173 tors. eta vs tors. theta energy: -24.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -284.835068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.835068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.835068 (E_RNA) where: Base-Base interactions energy: -89.794 where: short stacking energy: -66.620 Base-Backbone interact. energy: 0.561 local terms energy: -195.601727 where: bonds (distance) C4'-P energy: -58.051 bonds (distance) P-C4' energy: -58.658 flat angles C4'-P-C4' energy: -58.256 flat angles P-C4'-P energy: -24.443 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: 1, replica: 8 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1170.491447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.491447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.491447 (E_RNA) where: Base-Base interactions energy: -811.597 where: short stacking energy: -336.363 Base-Backbone interact. energy: -1.991 local terms energy: -356.902710 where: bonds (distance) C4'-P energy: -57.141 bonds (distance) P-C4' energy: -67.186 flat angles C4'-P-C4' energy: -80.086 flat angles P-C4'-P energy: -53.335 tors. eta vs tors. theta energy: -99.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1137.140749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.140749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.140749 (E_RNA) where: Base-Base interactions energy: -785.841 where: short stacking energy: -319.711 Base-Backbone interact. energy: -1.439 local terms energy: -349.860839 where: bonds (distance) C4'-P energy: -68.216 bonds (distance) P-C4' energy: -66.280 flat angles C4'-P-C4' energy: -75.927 flat angles P-C4'-P energy: -47.509 tors. eta vs tors. theta energy: -91.929 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: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1038.967221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.967221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.967221 (E_RNA) where: Base-Base interactions energy: -709.301 where: short stacking energy: -311.067 Base-Backbone interact. energy: -0.843 local terms energy: -328.823298 where: bonds (distance) C4'-P energy: -60.463 bonds (distance) P-C4' energy: -66.823 flat angles C4'-P-C4' energy: -70.185 flat angles P-C4'-P energy: -43.474 tors. eta vs tors. theta energy: -87.878 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: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1024.303868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.303868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.303868 (E_RNA) where: Base-Base interactions energy: -726.702 where: short stacking energy: -293.676 Base-Backbone interact. energy: -1.917 local terms energy: -295.684007 where: bonds (distance) C4'-P energy: -57.133 bonds (distance) P-C4' energy: -50.821 flat angles C4'-P-C4' energy: -70.389 flat angles P-C4'-P energy: -42.652 tors. eta vs tors. theta energy: -74.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -934.530612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.530612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.530612 (E_RNA) where: Base-Base interactions energy: -631.205 where: short stacking energy: -273.626 Base-Backbone interact. energy: -0.295 local terms energy: -303.030582 where: bonds (distance) C4'-P energy: -64.400 bonds (distance) P-C4' energy: -55.052 flat angles C4'-P-C4' energy: -70.717 flat angles P-C4'-P energy: -38.967 tors. eta vs tors. theta energy: -73.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -843.332643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.332643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.332643 (E_RNA) where: Base-Base interactions energy: -602.470 where: short stacking energy: -264.292 Base-Backbone interact. energy: -1.083 local terms energy: -239.779522 where: bonds (distance) C4'-P energy: -30.373 bonds (distance) P-C4' energy: -52.620 flat angles C4'-P-C4' energy: -66.005 flat angles P-C4'-P energy: -27.368 tors. eta vs tors. theta energy: -63.414 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: 149 Temperature: 1.200000 Total energy: -757.288178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.288178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.288178 (E_RNA) where: Base-Base interactions energy: -501.905 where: short stacking energy: -205.786 Base-Backbone interact. energy: -2.294 local terms energy: -253.088770 where: bonds (distance) C4'-P energy: -58.196 bonds (distance) P-C4' energy: -51.434 flat angles C4'-P-C4' energy: -49.695 flat angles P-C4'-P energy: -40.324 tors. eta vs tors. theta energy: -53.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -731.112219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.112219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.112219 (E_RNA) where: Base-Base interactions energy: -475.054 where: short stacking energy: -211.393 Base-Backbone interact. energy: -1.287 local terms energy: -254.771242 where: bonds (distance) C4'-P energy: -44.957 bonds (distance) P-C4' energy: -62.972 flat angles C4'-P-C4' energy: -58.291 flat angles P-C4'-P energy: -35.960 tors. eta vs tors. theta energy: -52.591 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: 1 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -479.403463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.403463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.403463 (E_RNA) where: Base-Base interactions energy: -287.342 where: short stacking energy: -128.306 Base-Backbone interact. energy: -1.251 local terms energy: -190.810989 where: bonds (distance) C4'-P energy: -39.671 bonds (distance) P-C4' energy: -65.618 flat angles C4'-P-C4' energy: -39.439 flat angles P-C4'-P energy: -33.962 tors. eta vs tors. theta energy: -12.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -269.284253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.284253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.284253 (E_RNA) where: Base-Base interactions energy: -111.707 where: short stacking energy: -80.219 Base-Backbone interact. energy: -0.249 local terms energy: -157.328418 where: bonds (distance) C4'-P energy: -42.688 bonds (distance) P-C4' energy: -59.303 flat angles C4'-P-C4' energy: -34.251 flat angles P-C4'-P energy: -26.747 tors. eta vs tors. theta energy: 5.660 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: 8 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1186.111962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.111962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.111962 (E_RNA) where: Base-Base interactions energy: -826.801 where: short stacking energy: -360.448 Base-Backbone interact. energy: -2.021 local terms energy: -357.289972 where: bonds (distance) C4'-P energy: -49.522 bonds (distance) P-C4' energy: -65.353 flat angles C4'-P-C4' energy: -77.307 flat angles P-C4'-P energy: -62.610 tors. eta vs tors. theta energy: -102.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1116.878746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.878746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.878746 (E_RNA) where: Base-Base interactions energy: -784.535 where: short stacking energy: -318.207 Base-Backbone interact. energy: -1.415 local terms energy: -330.929034 where: bonds (distance) C4'-P energy: -45.359 bonds (distance) P-C4' energy: -64.873 flat angles C4'-P-C4' energy: -75.964 flat angles P-C4'-P energy: -51.797 tors. eta vs tors. theta energy: -92.936 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: 3, replica: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1036.453750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.453750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.453750 (E_RNA) where: Base-Base interactions energy: -713.451 where: short stacking energy: -296.430 Base-Backbone interact. energy: 1.057 local terms energy: -324.060284 where: bonds (distance) C4'-P energy: -61.275 bonds (distance) P-C4' energy: -60.712 flat angles C4'-P-C4' energy: -71.200 flat angles P-C4'-P energy: -46.003 tors. eta vs tors. theta energy: -84.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1014.817217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.817217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.817217 (E_RNA) where: Base-Base interactions energy: -709.902 where: short stacking energy: -285.083 Base-Backbone interact. energy: -1.294 local terms energy: -303.621236 where: bonds (distance) C4'-P energy: -63.592 bonds (distance) P-C4' energy: -53.036 flat angles C4'-P-C4' energy: -67.056 flat angles P-C4'-P energy: -40.669 tors. eta vs tors. theta energy: -79.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -941.901297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.901297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.901297 (E_RNA) where: Base-Base interactions energy: -633.817 where: short stacking energy: -286.321 Base-Backbone interact. energy: -0.248 local terms energy: -307.836943 where: bonds (distance) C4'-P energy: -59.573 bonds (distance) P-C4' energy: -60.996 flat angles C4'-P-C4' energy: -66.792 flat angles P-C4'-P energy: -43.480 tors. eta vs tors. theta energy: -76.997 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: 9 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -862.198312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.198312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.198312 (E_RNA) where: Base-Base interactions energy: -581.263 where: short stacking energy: -237.743 Base-Backbone interact. energy: -0.989 local terms energy: -279.946378 where: bonds (distance) C4'-P energy: -55.798 bonds (distance) P-C4' energy: -60.950 flat angles C4'-P-C4' energy: -57.013 flat angles P-C4'-P energy: -40.622 tors. eta vs tors. theta energy: -65.563 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: 2 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -786.478392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.478392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.478392 (E_RNA) where: Base-Base interactions energy: -511.356 where: short stacking energy: -237.732 Base-Backbone interact. energy: -0.043 local terms energy: -275.079112 where: bonds (distance) C4'-P energy: -54.046 bonds (distance) P-C4' energy: -53.803 flat angles C4'-P-C4' energy: -54.665 flat angles P-C4'-P energy: -46.993 tors. eta vs tors. theta energy: -65.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -737.873596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.873596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.873596 (E_RNA) where: Base-Base interactions energy: -485.403 where: short stacking energy: -205.569 Base-Backbone interact. energy: -0.868 local terms energy: -251.601833 where: bonds (distance) C4'-P energy: -53.663 bonds (distance) P-C4' energy: -55.943 flat angles C4'-P-C4' energy: -59.025 flat angles P-C4'-P energy: -40.356 tors. eta vs tors. theta energy: -42.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -469.866496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.866496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.866496 (E_RNA) where: Base-Base interactions energy: -267.436 where: short stacking energy: -149.109 Base-Backbone interact. energy: 2.087 local terms energy: -204.517002 where: bonds (distance) C4'-P energy: -55.043 bonds (distance) P-C4' energy: -44.453 flat angles C4'-P-C4' energy: -53.079 flat angles P-C4'-P energy: -23.126 tors. eta vs tors. theta energy: -28.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -288.714882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.714882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.714882 (E_RNA) where: Base-Base interactions energy: -90.965 where: short stacking energy: -86.823 Base-Backbone interact. energy: 1.015 local terms energy: -198.765460 where: bonds (distance) C4'-P energy: -55.808 bonds (distance) P-C4' energy: -55.766 flat angles C4'-P-C4' energy: -56.243 flat angles P-C4'-P energy: -31.964 tors. eta vs tors. theta energy: 1.015 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: 8 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1168.055477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.055477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.055477 (E_RNA) where: Base-Base interactions energy: -811.467 where: short stacking energy: -342.806 Base-Backbone interact. energy: 0.412 local terms energy: -357.001401 where: bonds (distance) C4'-P energy: -55.044 bonds (distance) P-C4' energy: -66.949 flat angles C4'-P-C4' energy: -76.959 flat angles P-C4'-P energy: -53.762 tors. eta vs tors. theta energy: -104.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1114.463161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.463161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.463161 (E_RNA) where: Base-Base interactions energy: -771.879 where: short stacking energy: -323.206 Base-Backbone interact. energy: -0.792 local terms energy: -341.791523 where: bonds (distance) C4'-P energy: -71.802 bonds (distance) P-C4' energy: -60.000 flat angles C4'-P-C4' energy: -71.915 flat angles P-C4'-P energy: -39.001 tors. eta vs tors. theta energy: -99.074 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: 3 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1060.031484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.031484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.031484 (E_RNA) where: Base-Base interactions energy: -721.522 where: short stacking energy: -333.286 Base-Backbone interact. energy: 0.473 local terms energy: -338.982859 where: bonds (distance) C4'-P energy: -65.015 bonds (distance) P-C4' energy: -60.154 flat angles C4'-P-C4' energy: -66.857 flat angles P-C4'-P energy: -47.949 tors. eta vs tors. theta energy: -99.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1036.394095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.394095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.394095 (E_RNA) where: Base-Base interactions energy: -733.950 where: short stacking energy: -303.761 Base-Backbone interact. energy: -0.452 local terms energy: -301.992263 where: bonds (distance) C4'-P energy: -45.545 bonds (distance) P-C4' energy: -61.077 flat angles C4'-P-C4' energy: -66.598 flat angles P-C4'-P energy: -43.763 tors. eta vs tors. theta energy: -85.009 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: 5, replica: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -891.862989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.862989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.862989 (E_RNA) where: Base-Base interactions energy: -608.436 where: short stacking energy: -276.404 Base-Backbone interact. energy: 0.406 local terms energy: -283.832711 where: bonds (distance) C4'-P energy: -57.650 bonds (distance) P-C4' energy: -58.529 flat angles C4'-P-C4' energy: -56.284 flat angles P-C4'-P energy: -30.237 tors. eta vs tors. theta energy: -81.134 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: 9 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -856.524773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.524773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.524773 (E_RNA) where: Base-Base interactions energy: -592.868 where: short stacking energy: -241.294 Base-Backbone interact. energy: 0.099 local terms energy: -263.756271 where: bonds (distance) C4'-P energy: -58.326 bonds (distance) P-C4' energy: -44.584 flat angles C4'-P-C4' energy: -57.002 flat angles P-C4'-P energy: -45.169 tors. eta vs tors. theta energy: -58.675 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: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -793.569168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.569168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.569168 (E_RNA) where: Base-Base interactions energy: -510.519 where: short stacking energy: -230.755 Base-Backbone interact. energy: 0.383 local terms energy: -283.433258 where: bonds (distance) C4'-P energy: -53.025 bonds (distance) P-C4' energy: -60.318 flat angles C4'-P-C4' energy: -65.934 flat angles P-C4'-P energy: -45.449 tors. eta vs tors. theta energy: -58.707 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: 4 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -706.599768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.599768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.599768 (E_RNA) where: Base-Base interactions energy: -464.246 where: short stacking energy: -191.354 Base-Backbone interact. energy: -1.861 local terms energy: -240.493067 where: bonds (distance) C4'-P energy: -60.897 bonds (distance) P-C4' energy: -56.083 flat angles C4'-P-C4' energy: -58.261 flat angles P-C4'-P energy: -31.669 tors. eta vs tors. theta energy: -33.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -463.607670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.607670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.607670 (E_RNA) where: Base-Base interactions energy: -252.689 where: short stacking energy: -138.106 Base-Backbone interact. energy: -1.357 local terms energy: -209.561968 where: bonds (distance) C4'-P energy: -54.770 bonds (distance) P-C4' energy: -52.282 flat angles C4'-P-C4' energy: -52.724 flat angles P-C4'-P energy: -34.621 tors. eta vs tors. theta energy: -15.165 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: 10, replica: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -279.249264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.249264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.249264 (E_RNA) where: Base-Base interactions energy: -90.565 where: short stacking energy: -73.748 Base-Backbone interact. energy: -0.608 local terms energy: -188.076365 where: bonds (distance) C4'-P energy: -58.940 bonds (distance) P-C4' energy: -58.537 flat angles C4'-P-C4' energy: -50.472 flat angles P-C4'-P energy: -26.731 tors. eta vs tors. theta energy: 6.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1167.207797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.207797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.207797 (E_RNA) where: Base-Base interactions energy: -812.021 where: short stacking energy: -343.108 Base-Backbone interact. energy: 3.182 local terms energy: -358.368243 where: bonds (distance) C4'-P energy: -63.862 bonds (distance) P-C4' energy: -62.590 flat angles C4'-P-C4' energy: -75.268 flat angles P-C4'-P energy: -54.950 tors. eta vs tors. theta energy: -101.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1111.251964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.251964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.251964 (E_RNA) where: Base-Base interactions energy: -770.343 where: short stacking energy: -337.747 Base-Backbone interact. energy: -0.676 local terms energy: -340.233520 where: bonds (distance) C4'-P energy: -62.405 bonds (distance) P-C4' energy: -66.349 flat angles C4'-P-C4' energy: -66.400 flat angles P-C4'-P energy: -47.706 tors. eta vs tors. theta energy: -97.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1076.825593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.825593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.825593 (E_RNA) where: Base-Base interactions energy: -742.031 where: short stacking energy: -325.207 Base-Backbone interact. energy: -1.517 local terms energy: -333.277405 where: bonds (distance) C4'-P energy: -61.422 bonds (distance) P-C4' energy: -62.081 flat angles C4'-P-C4' energy: -70.960 flat angles P-C4'-P energy: -43.165 tors. eta vs tors. theta energy: -95.650 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: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -986.093675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.093675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.093675 (E_RNA) where: Base-Base interactions energy: -680.353 where: short stacking energy: -265.529 Base-Backbone interact. energy: -1.695 local terms energy: -304.046147 where: bonds (distance) C4'-P energy: -59.161 bonds (distance) P-C4' energy: -57.421 flat angles C4'-P-C4' energy: -66.193 flat angles P-C4'-P energy: -41.843 tors. eta vs tors. theta energy: -79.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -915.344733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.344733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.344733 (E_RNA) where: Base-Base interactions energy: -610.860 where: short stacking energy: -256.542 Base-Backbone interact. energy: -0.034 local terms energy: -304.451252 where: bonds (distance) C4'-P energy: -61.526 bonds (distance) P-C4' energy: -66.246 flat angles C4'-P-C4' energy: -72.858 flat angles P-C4'-P energy: -38.466 tors. eta vs tors. theta energy: -65.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -881.448328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.448328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.448328 (E_RNA) where: Base-Base interactions energy: -571.583 where: short stacking energy: -240.431 Base-Backbone interact. energy: -0.017 local terms energy: -309.848706 where: bonds (distance) C4'-P energy: -55.287 bonds (distance) P-C4' energy: -71.680 flat angles C4'-P-C4' energy: -67.926 flat angles P-C4'-P energy: -43.805 tors. eta vs tors. theta energy: -71.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -751.795157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.795157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.795157 (E_RNA) where: Base-Base interactions energy: -502.299 where: short stacking energy: -218.157 Base-Backbone interact. energy: 0.466 local terms energy: -249.961897 where: bonds (distance) C4'-P energy: -53.907 bonds (distance) P-C4' energy: -57.638 flat angles C4'-P-C4' energy: -55.653 flat angles P-C4'-P energy: -35.218 tors. eta vs tors. theta energy: -47.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -690.029903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.029903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.029903 (E_RNA) where: Base-Base interactions energy: -481.528 where: short stacking energy: -222.950 Base-Backbone interact. energy: -1.054 local terms energy: -207.448005 where: bonds (distance) C4'-P energy: -36.975 bonds (distance) P-C4' energy: -43.267 flat angles C4'-P-C4' energy: -56.621 flat angles P-C4'-P energy: -26.158 tors. eta vs tors. theta energy: -44.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -499.933979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.933979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.933979 (E_RNA) where: Base-Base interactions energy: -294.673 where: short stacking energy: -133.283 Base-Backbone interact. energy: -0.050 local terms energy: -205.211002 where: bonds (distance) C4'-P energy: -51.145 bonds (distance) P-C4' energy: -49.174 flat angles C4'-P-C4' energy: -51.767 flat angles P-C4'-P energy: -30.359 tors. eta vs tors. theta energy: -22.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -340.987166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.987166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.987166 (E_RNA) where: Base-Base interactions energy: -156.114 where: short stacking energy: -92.564 Base-Backbone interact. energy: 1.127 local terms energy: -186.000146 where: bonds (distance) C4'-P energy: -55.032 bonds (distance) P-C4' energy: -58.465 flat angles C4'-P-C4' energy: -46.229 flat angles P-C4'-P energy: -30.557 tors. eta vs tors. theta energy: 4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1177.700228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.700228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.700228 (E_RNA) where: Base-Base interactions energy: -811.952 where: short stacking energy: -345.542 Base-Backbone interact. energy: -1.351 local terms energy: -364.397314 where: bonds (distance) C4'-P energy: -63.458 bonds (distance) P-C4' energy: -66.813 flat angles C4'-P-C4' energy: -75.513 flat angles P-C4'-P energy: -52.405 tors. eta vs tors. theta energy: -106.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1103.956345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.956345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.956345 (E_RNA) where: Base-Base interactions energy: -764.907 where: short stacking energy: -332.168 Base-Backbone interact. energy: -0.886 local terms energy: -338.163482 where: bonds (distance) C4'-P energy: -56.173 bonds (distance) P-C4' energy: -66.253 flat angles C4'-P-C4' energy: -73.482 flat angles P-C4'-P energy: -48.769 tors. eta vs tors. theta energy: -93.487 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: 3 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1032.334643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.334643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.334643 (E_RNA) where: Base-Base interactions energy: -688.958 where: short stacking energy: -296.156 Base-Backbone interact. energy: -1.556 local terms energy: -341.820312 where: bonds (distance) C4'-P energy: -57.709 bonds (distance) P-C4' energy: -70.343 flat angles C4'-P-C4' energy: -76.960 flat angles P-C4'-P energy: -47.354 tors. eta vs tors. theta energy: -89.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1006.796959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.796959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.796959 (E_RNA) where: Base-Base interactions energy: -687.016 where: short stacking energy: -272.014 Base-Backbone interact. energy: -1.317 local terms energy: -318.464046 where: bonds (distance) C4'-P energy: -70.292 bonds (distance) P-C4' energy: -67.920 flat angles C4'-P-C4' energy: -62.233 flat angles P-C4'-P energy: -35.926 tors. eta vs tors. theta energy: -82.093 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: 153 Temperature: 1.100000 Total energy: -919.500609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.500609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.500609 (E_RNA) where: Base-Base interactions energy: -627.809 where: short stacking energy: -280.493 Base-Backbone interact. energy: -1.098 local terms energy: -290.593048 where: bonds (distance) C4'-P energy: -66.662 bonds (distance) P-C4' energy: -53.473 flat angles C4'-P-C4' energy: -62.720 flat angles P-C4'-P energy: -36.193 tors. eta vs tors. theta energy: -71.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -872.540198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.540198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.540198 (E_RNA) where: Base-Base interactions energy: -609.316 where: short stacking energy: -258.825 Base-Backbone interact. energy: -1.643 local terms energy: -261.580670 where: bonds (distance) C4'-P energy: -41.202 bonds (distance) P-C4' energy: -63.978 flat angles C4'-P-C4' energy: -53.594 flat angles P-C4'-P energy: -35.680 tors. eta vs tors. theta energy: -67.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -772.089733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.089733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.089733 (E_RNA) where: Base-Base interactions energy: -500.750 where: short stacking energy: -243.708 Base-Backbone interact. energy: 0.755 local terms energy: -272.094593 where: bonds (distance) C4'-P energy: -53.259 bonds (distance) P-C4' energy: -45.983 flat angles C4'-P-C4' energy: -64.819 flat angles P-C4'-P energy: -45.621 tors. eta vs tors. theta energy: -62.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -704.523682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.523682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.523682 (E_RNA) where: Base-Base interactions energy: -458.047 where: short stacking energy: -202.260 Base-Backbone interact. energy: -1.174 local terms energy: -245.302175 where: bonds (distance) C4'-P energy: -46.510 bonds (distance) P-C4' energy: -61.737 flat angles C4'-P-C4' energy: -54.775 flat angles P-C4'-P energy: -38.071 tors. eta vs tors. theta energy: -44.209 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: 1 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -494.598987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.598987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.598987 (E_RNA) where: Base-Base interactions energy: -287.770 where: short stacking energy: -139.725 Base-Backbone interact. energy: 0.585 local terms energy: -207.414385 where: bonds (distance) C4'-P energy: -46.479 bonds (distance) P-C4' energy: -63.800 flat angles C4'-P-C4' energy: -50.599 flat angles P-C4'-P energy: -27.442 tors. eta vs tors. theta energy: -19.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -352.421220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.421220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.421220 (E_RNA) where: Base-Base interactions energy: -164.834 where: short stacking energy: -103.272 Base-Backbone interact. energy: 0.381 local terms energy: -187.968604 where: bonds (distance) C4'-P energy: -57.651 bonds (distance) P-C4' energy: -56.934 flat angles C4'-P-C4' energy: -43.086 flat angles P-C4'-P energy: -30.167 tors. eta vs tors. theta energy: -0.131 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: 8 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1177.624358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.624358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.624358 (E_RNA) where: Base-Base interactions energy: -812.158 where: short stacking energy: -350.413 Base-Backbone interact. energy: -1.915 local terms energy: -363.551400 where: bonds (distance) C4'-P energy: -63.923 bonds (distance) P-C4' energy: -67.750 flat angles C4'-P-C4' energy: -71.338 flat angles P-C4'-P energy: -51.585 tors. eta vs tors. theta energy: -108.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1092.294038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.294038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.294038 (E_RNA) where: Base-Base interactions energy: -744.310 where: short stacking energy: -327.005 Base-Backbone interact. energy: -0.804 local terms energy: -347.179427 where: bonds (distance) C4'-P energy: -66.820 bonds (distance) P-C4' energy: -76.089 flat angles C4'-P-C4' energy: -72.395 flat angles P-C4'-P energy: -42.340 tors. eta vs tors. theta energy: -89.536 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: 3, replica: 3 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1034.656481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.656481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.656481 (E_RNA) where: Base-Base interactions energy: -690.375 where: short stacking energy: -296.367 Base-Backbone interact. energy: -1.816 local terms energy: -342.465804 where: bonds (distance) C4'-P energy: -66.776 bonds (distance) P-C4' energy: -70.177 flat angles C4'-P-C4' energy: -73.683 flat angles P-C4'-P energy: -49.636 tors. eta vs tors. theta energy: -82.194 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: 4, replica: 6 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -996.114628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.114628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.114628 (E_RNA) where: Base-Base interactions energy: -676.258 where: short stacking energy: -287.978 Base-Backbone interact. energy: -0.832 local terms energy: -319.023726 where: bonds (distance) C4'-P energy: -57.454 bonds (distance) P-C4' energy: -68.370 flat angles C4'-P-C4' energy: -67.038 flat angles P-C4'-P energy: -46.204 tors. eta vs tors. theta energy: -79.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -913.555898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.555898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.555898 (E_RNA) where: Base-Base interactions energy: -614.027 where: short stacking energy: -283.632 Base-Backbone interact. energy: 2.087 local terms energy: -301.615904 where: bonds (distance) C4'-P energy: -56.002 bonds (distance) P-C4' energy: -59.648 flat angles C4'-P-C4' energy: -72.655 flat angles P-C4'-P energy: -35.680 tors. eta vs tors. theta energy: -77.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -836.981911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.981911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.981911 (E_RNA) where: Base-Base interactions energy: -570.065 where: short stacking energy: -256.905 Base-Backbone interact. energy: -1.214 local terms energy: -265.702197 where: bonds (distance) C4'-P energy: -56.693 bonds (distance) P-C4' energy: -56.445 flat angles C4'-P-C4' energy: -62.502 flat angles P-C4'-P energy: -25.303 tors. eta vs tors. theta energy: -64.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -746.246063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.246063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.246063 (E_RNA) where: Base-Base interactions energy: -478.502 where: short stacking energy: -216.579 Base-Backbone interact. energy: -0.325 local terms energy: -267.419384 where: bonds (distance) C4'-P energy: -53.085 bonds (distance) P-C4' energy: -60.898 flat angles C4'-P-C4' energy: -64.622 flat angles P-C4'-P energy: -37.393 tors. eta vs tors. theta energy: -51.421 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: 4 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -721.497821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.497821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.497821 (E_RNA) where: Base-Base interactions energy: -461.908 where: short stacking energy: -200.321 Base-Backbone interact. energy: -1.772 local terms energy: -257.818291 where: bonds (distance) C4'-P energy: -61.035 bonds (distance) P-C4' energy: -62.812 flat angles C4'-P-C4' energy: -61.019 flat angles P-C4'-P energy: -32.863 tors. eta vs tors. theta energy: -40.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -530.878033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.878033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.878033 (E_RNA) where: Base-Base interactions energy: -314.841 where: short stacking energy: -147.913 Base-Backbone interact. energy: 1.620 local terms energy: -217.657105 where: bonds (distance) C4'-P energy: -48.087 bonds (distance) P-C4' energy: -61.351 flat angles C4'-P-C4' energy: -52.338 flat angles P-C4'-P energy: -32.774 tors. eta vs tors. theta energy: -23.107 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: 7 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -364.815679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.815679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.815679 (E_RNA) where: Base-Base interactions energy: -177.308 where: short stacking energy: -107.059 Base-Backbone interact. energy: -1.218 local terms energy: -186.290445 where: bonds (distance) C4'-P energy: -54.154 bonds (distance) P-C4' energy: -62.240 flat angles C4'-P-C4' energy: -41.725 flat angles P-C4'-P energy: -24.992 tors. eta vs tors. theta energy: -3.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1174.877626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.877626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.877626 (E_RNA) where: Base-Base interactions energy: -816.150 where: short stacking energy: -355.500 Base-Backbone interact. energy: -1.961 local terms energy: -356.766742 where: bonds (distance) C4'-P energy: -59.014 bonds (distance) P-C4' energy: -71.063 flat angles C4'-P-C4' energy: -76.583 flat angles P-C4'-P energy: -45.541 tors. eta vs tors. theta energy: -104.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1103.083759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.083759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.083759 (E_RNA) where: Base-Base interactions energy: -753.978 where: short stacking energy: -330.737 Base-Backbone interact. energy: -0.600 local terms energy: -348.505473 where: bonds (distance) C4'-P energy: -62.872 bonds (distance) P-C4' energy: -61.618 flat angles C4'-P-C4' energy: -71.407 flat angles P-C4'-P energy: -53.037 tors. eta vs tors. theta energy: -99.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1046.709985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.709985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.709985 (E_RNA) where: Base-Base interactions energy: -712.935 where: short stacking energy: -304.833 Base-Backbone interact. energy: -1.411 local terms energy: -332.364361 where: bonds (distance) C4'-P energy: -51.874 bonds (distance) P-C4' energy: -71.008 flat angles C4'-P-C4' energy: -68.338 flat angles P-C4'-P energy: -46.050 tors. eta vs tors. theta energy: -95.095 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: 6 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -995.224424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.224424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.224424 (E_RNA) where: Base-Base interactions energy: -685.824 where: short stacking energy: -293.569 Base-Backbone interact. energy: -0.390 local terms energy: -309.009708 where: bonds (distance) C4'-P energy: -64.686 bonds (distance) P-C4' energy: -56.141 flat angles C4'-P-C4' energy: -71.912 flat angles P-C4'-P energy: -41.309 tors. eta vs tors. theta energy: -74.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -942.577503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.577503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.577503 (E_RNA) where: Base-Base interactions energy: -614.359 where: short stacking energy: -264.741 Base-Backbone interact. energy: -0.519 local terms energy: -327.699870 where: bonds (distance) C4'-P energy: -67.289 bonds (distance) P-C4' energy: -71.068 flat angles C4'-P-C4' energy: -66.173 flat angles P-C4'-P energy: -42.784 tors. eta vs tors. theta energy: -80.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -827.606165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.606165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.606165 (E_RNA) where: Base-Base interactions energy: -551.906 where: short stacking energy: -247.930 Base-Backbone interact. energy: -1.125 local terms energy: -274.574903 where: bonds (distance) C4'-P energy: -49.642 bonds (distance) P-C4' energy: -59.432 flat angles C4'-P-C4' energy: -63.464 flat angles P-C4'-P energy: -34.054 tors. eta vs tors. theta energy: -67.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -741.990741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.990741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.990741 (E_RNA) where: Base-Base interactions energy: -470.821 where: short stacking energy: -214.801 Base-Backbone interact. energy: -1.987 local terms energy: -269.182747 where: bonds (distance) C4'-P energy: -63.227 bonds (distance) P-C4' energy: -45.616 flat angles C4'-P-C4' energy: -66.140 flat angles P-C4'-P energy: -37.056 tors. eta vs tors. theta energy: -57.144 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: 4 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -722.821967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.821967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.821967 (E_RNA) where: Base-Base interactions energy: -480.722 where: short stacking energy: -203.838 Base-Backbone interact. energy: -1.999 local terms energy: -240.101397 where: bonds (distance) C4'-P energy: -58.974 bonds (distance) P-C4' energy: -61.325 flat angles C4'-P-C4' energy: -53.043 flat angles P-C4'-P energy: -26.402 tors. eta vs tors. theta energy: -40.358 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: 9, replica: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -637.442536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.442536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.442536 (E_RNA) where: Base-Base interactions energy: -412.477 where: short stacking energy: -165.468 Base-Backbone interact. energy: 1.451 local terms energy: -226.415928 where: bonds (distance) C4'-P energy: -57.682 bonds (distance) P-C4' energy: -54.580 flat angles C4'-P-C4' energy: -52.441 flat angles P-C4'-P energy: -26.772 tors. eta vs tors. theta energy: -34.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -421.331962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.331962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.331962 (E_RNA) where: Base-Base interactions energy: -218.262 where: short stacking energy: -107.522 Base-Backbone interact. energy: -0.607 local terms energy: -202.462565 where: bonds (distance) C4'-P energy: -50.289 bonds (distance) P-C4' energy: -62.230 flat angles C4'-P-C4' energy: -54.510 flat angles P-C4'-P energy: -22.948 tors. eta vs tors. theta energy: -12.485 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: 8 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1176.390860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.390860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.390860 (E_RNA) where: Base-Base interactions energy: -825.585 where: short stacking energy: -341.230 Base-Backbone interact. energy: -1.620 local terms energy: -349.185255 where: bonds (distance) C4'-P energy: -64.422 bonds (distance) P-C4' energy: -55.969 flat angles C4'-P-C4' energy: -73.916 flat angles P-C4'-P energy: -55.484 tors. eta vs tors. theta energy: -99.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1131.830659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.830659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.830659 (E_RNA) where: Base-Base interactions energy: -792.559 where: short stacking energy: -338.809 Base-Backbone interact. energy: 1.137 local terms energy: -340.407700 where: bonds (distance) C4'-P energy: -62.226 bonds (distance) P-C4' energy: -57.704 flat angles C4'-P-C4' energy: -77.632 flat angles P-C4'-P energy: -51.140 tors. eta vs tors. theta energy: -91.705 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: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1027.553892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.553892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.553892 (E_RNA) where: Base-Base interactions energy: -700.417 where: short stacking energy: -303.798 Base-Backbone interact. energy: -1.277 local terms energy: -325.860168 where: bonds (distance) C4'-P energy: -59.131 bonds (distance) P-C4' energy: -59.251 flat angles C4'-P-C4' energy: -67.914 flat angles P-C4'-P energy: -46.566 tors. eta vs tors. theta energy: -92.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -999.947521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.947521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.947521 (E_RNA) where: Base-Base interactions energy: -691.739 where: short stacking energy: -286.865 Base-Backbone interact. energy: 1.973 local terms energy: -310.181670 where: bonds (distance) C4'-P energy: -56.962 bonds (distance) P-C4' energy: -65.130 flat angles C4'-P-C4' energy: -61.445 flat angles P-C4'-P energy: -44.204 tors. eta vs tors. theta energy: -82.440 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: 156 Temperature: 1.100000 Total energy: -931.646584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.646584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.646584 (E_RNA) where: Base-Base interactions energy: -598.579 where: short stacking energy: -273.831 Base-Backbone interact. energy: -0.173 local terms energy: -332.894526 where: bonds (distance) C4'-P energy: -69.541 bonds (distance) P-C4' energy: -68.883 flat angles C4'-P-C4' energy: -69.614 flat angles P-C4'-P energy: -44.608 tors. eta vs tors. theta energy: -80.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -831.905388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.905388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.905388 (E_RNA) where: Base-Base interactions energy: -554.725 where: short stacking energy: -230.292 Base-Backbone interact. energy: 0.136 local terms energy: -277.316292 where: bonds (distance) C4'-P energy: -61.127 bonds (distance) P-C4' energy: -68.307 flat angles C4'-P-C4' energy: -51.954 flat angles P-C4'-P energy: -34.588 tors. eta vs tors. theta energy: -61.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -745.870379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.870379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.870379 (E_RNA) where: Base-Base interactions energy: -483.868 where: short stacking energy: -213.887 Base-Backbone interact. energy: -1.476 local terms energy: -260.525687 where: bonds (distance) C4'-P energy: -50.565 bonds (distance) P-C4' energy: -53.217 flat angles C4'-P-C4' energy: -67.502 flat angles P-C4'-P energy: -30.842 tors. eta vs tors. theta energy: -58.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -712.063168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.063168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.063168 (E_RNA) where: Base-Base interactions energy: -466.599 where: short stacking energy: -214.822 Base-Backbone interact. energy: -1.718 local terms energy: -243.747002 where: bonds (distance) C4'-P energy: -64.345 bonds (distance) P-C4' energy: -52.203 flat angles C4'-P-C4' energy: -47.257 flat angles P-C4'-P energy: -40.691 tors. eta vs tors. theta energy: -39.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -649.379685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.379685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.379685 (E_RNA) where: Base-Base interactions energy: -433.718 where: short stacking energy: -183.060 Base-Backbone interact. energy: -1.642 local terms energy: -214.019665 where: bonds (distance) C4'-P energy: -51.061 bonds (distance) P-C4' energy: -59.800 flat angles C4'-P-C4' energy: -44.793 flat angles P-C4'-P energy: -24.826 tors. eta vs tors. theta energy: -33.540 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: 10, replica: 7 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -418.655869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.655869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.655869 (E_RNA) where: Base-Base interactions energy: -243.717 where: short stacking energy: -123.757 Base-Backbone interact. energy: -2.616 local terms energy: -172.322241 where: bonds (distance) C4'-P energy: -41.364 bonds (distance) P-C4' energy: -53.606 flat angles C4'-P-C4' energy: -58.193 flat angles P-C4'-P energy: -19.150 tors. eta vs tors. theta energy: -0.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1169.437964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.437964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.437964 (E_RNA) where: Base-Base interactions energy: -808.080 where: short stacking energy: -339.281 Base-Backbone interact. energy: 0.102 local terms energy: -361.459785 where: bonds (distance) C4'-P energy: -58.639 bonds (distance) P-C4' energy: -73.665 flat angles C4'-P-C4' energy: -74.052 flat angles P-C4'-P energy: -47.389 tors. eta vs tors. theta energy: -107.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1103.805904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.805904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.805904 (E_RNA) where: Base-Base interactions energy: -776.954 where: short stacking energy: -316.420 Base-Backbone interact. energy: -0.336 local terms energy: -326.515965 where: bonds (distance) C4'-P energy: -60.224 bonds (distance) P-C4' energy: -68.121 flat angles C4'-P-C4' energy: -59.528 flat angles P-C4'-P energy: -46.567 tors. eta vs tors. theta energy: -92.075 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: 3 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1041.175638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.175638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.175638 (E_RNA) where: Base-Base interactions energy: -714.199 where: short stacking energy: -321.666 Base-Backbone interact. energy: -1.889 local terms energy: -325.088312 where: bonds (distance) C4'-P energy: -63.540 bonds (distance) P-C4' energy: -60.552 flat angles C4'-P-C4' energy: -64.591 flat angles P-C4'-P energy: -46.108 tors. eta vs tors. theta energy: -90.298 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: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1000.650076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.650076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.650076 (E_RNA) where: Base-Base interactions energy: -696.882 where: short stacking energy: -304.012 Base-Backbone interact. energy: 1.819 local terms energy: -305.587093 where: bonds (distance) C4'-P energy: -54.085 bonds (distance) P-C4' energy: -58.838 flat angles C4'-P-C4' energy: -62.422 flat angles P-C4'-P energy: -47.167 tors. eta vs tors. theta energy: -83.075 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: 5 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -923.800626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.800626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.800626 (E_RNA) where: Base-Base interactions energy: -621.713 where: short stacking energy: -271.145 Base-Backbone interact. energy: 0.680 local terms energy: -302.768392 where: bonds (distance) C4'-P energy: -54.708 bonds (distance) P-C4' energy: -64.066 flat angles C4'-P-C4' energy: -70.080 flat angles P-C4'-P energy: -46.869 tors. eta vs tors. theta energy: -67.046 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: 157 Temperature: 1.150000 Total energy: -805.338882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.338882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.338882 (E_RNA) where: Base-Base interactions energy: -525.529 where: short stacking energy: -233.087 Base-Backbone interact. energy: -1.528 local terms energy: -278.282789 where: bonds (distance) C4'-P energy: -58.235 bonds (distance) P-C4' energy: -69.612 flat angles C4'-P-C4' energy: -63.499 flat angles P-C4'-P energy: -32.515 tors. eta vs tors. theta energy: -54.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -792.279237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.279237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.279237 (E_RNA) where: Base-Base interactions energy: -537.465 where: short stacking energy: -249.243 Base-Backbone interact. energy: 3.209 local terms energy: -258.023516 where: bonds (distance) C4'-P energy: -51.001 bonds (distance) P-C4' energy: -53.863 flat angles C4'-P-C4' energy: -55.682 flat angles P-C4'-P energy: -37.018 tors. eta vs tors. theta energy: -60.460 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: 2 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -753.231810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.231810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.231810 (E_RNA) where: Base-Base interactions energy: -495.203 where: short stacking energy: -235.156 Base-Backbone interact. energy: -1.080 local terms energy: -256.949047 where: bonds (distance) C4'-P energy: -56.679 bonds (distance) P-C4' energy: -52.142 flat angles C4'-P-C4' energy: -57.644 flat angles P-C4'-P energy: -29.278 tors. eta vs tors. theta energy: -61.205 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: 1 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -568.836316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.836316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.836316 (E_RNA) where: Base-Base interactions energy: -334.764 where: short stacking energy: -166.172 Base-Backbone interact. energy: -1.700 local terms energy: -232.371887 where: bonds (distance) C4'-P energy: -51.537 bonds (distance) P-C4' energy: -65.263 flat angles C4'-P-C4' energy: -62.581 flat angles P-C4'-P energy: -24.706 tors. eta vs tors. theta energy: -28.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -446.177594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.177594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.177594 (E_RNA) where: Base-Base interactions energy: -222.067 where: short stacking energy: -110.531 Base-Backbone interact. energy: -0.906 local terms energy: -223.204682 where: bonds (distance) C4'-P energy: -56.711 bonds (distance) P-C4' energy: -60.394 flat angles C4'-P-C4' energy: -52.265 flat angles P-C4'-P energy: -40.552 tors. eta vs tors. theta energy: -13.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1180.626299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.626299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.626299 (E_RNA) where: Base-Base interactions energy: -815.895 where: short stacking energy: -345.728 Base-Backbone interact. energy: -2.267 local terms energy: -362.463622 where: bonds (distance) C4'-P energy: -63.633 bonds (distance) P-C4' energy: -64.510 flat angles C4'-P-C4' energy: -80.209 flat angles P-C4'-P energy: -49.171 tors. eta vs tors. theta energy: -104.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1115.345032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.345032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.345032 (E_RNA) where: Base-Base interactions energy: -755.033 where: short stacking energy: -324.273 Base-Backbone interact. energy: -1.551 local terms energy: -358.761249 where: bonds (distance) C4'-P energy: -73.714 bonds (distance) P-C4' energy: -73.153 flat angles C4'-P-C4' energy: -68.608 flat angles P-C4'-P energy: -48.927 tors. eta vs tors. theta energy: -94.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1021.934928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.934928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.934928 (E_RNA) where: Base-Base interactions energy: -695.429 where: short stacking energy: -304.865 Base-Backbone interact. energy: -1.386 local terms energy: -325.119422 where: bonds (distance) C4'-P energy: -65.362 bonds (distance) P-C4' energy: -56.519 flat angles C4'-P-C4' energy: -72.384 flat angles P-C4'-P energy: -49.588 tors. eta vs tors. theta energy: -81.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1002.600018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.600018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.600018 (E_RNA) where: Base-Base interactions energy: -680.142 where: short stacking energy: -296.530 Base-Backbone interact. energy: -0.242 local terms energy: -322.216475 where: bonds (distance) C4'-P energy: -54.869 bonds (distance) P-C4' energy: -71.332 flat angles C4'-P-C4' energy: -56.551 flat angles P-C4'-P energy: -45.982 tors. eta vs tors. theta energy: -93.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -924.526592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.526592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.526592 (E_RNA) where: Base-Base interactions energy: -625.754 where: short stacking energy: -273.779 Base-Backbone interact. energy: -0.306 local terms energy: -298.466862 where: bonds (distance) C4'-P energy: -42.840 bonds (distance) P-C4' energy: -65.789 flat angles C4'-P-C4' energy: -65.197 flat angles P-C4'-P energy: -47.678 tors. eta vs tors. theta energy: -76.962 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: 4 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -805.590535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.590535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.590535 (E_RNA) where: Base-Base interactions energy: -534.920 where: short stacking energy: -222.991 Base-Backbone interact. energy: -0.543 local terms energy: -270.127158 where: bonds (distance) C4'-P energy: -43.209 bonds (distance) P-C4' energy: -52.976 flat angles C4'-P-C4' energy: -71.630 flat angles P-C4'-P energy: -46.433 tors. eta vs tors. theta energy: -55.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -728.233203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.233203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.233203 (E_RNA) where: Base-Base interactions energy: -472.686 where: short stacking energy: -221.935 Base-Backbone interact. energy: 1.249 local terms energy: -256.796097 where: bonds (distance) C4'-P energy: -45.448 bonds (distance) P-C4' energy: -47.224 flat angles C4'-P-C4' energy: -61.623 flat angles P-C4'-P energy: -39.769 tors. eta vs tors. theta energy: -62.733 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: 2 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -743.264901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.264901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.264901 (E_RNA) where: Base-Base interactions energy: -466.695 where: short stacking energy: -221.618 Base-Backbone interact. energy: 2.127 local terms energy: -278.696916 where: bonds (distance) C4'-P energy: -53.953 bonds (distance) P-C4' energy: -61.299 flat angles C4'-P-C4' energy: -69.166 flat angles P-C4'-P energy: -35.252 tors. eta vs tors. theta energy: -59.027 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: 9, replica: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -483.303146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.303146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.303146 (E_RNA) where: Base-Base interactions energy: -290.489 where: short stacking energy: -134.166 Base-Backbone interact. energy: -1.334 local terms energy: -191.479601 where: bonds (distance) C4'-P energy: -54.983 bonds (distance) P-C4' energy: -47.976 flat angles C4'-P-C4' energy: -53.046 flat angles P-C4'-P energy: -34.360 tors. eta vs tors. theta energy: -1.114 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: 7 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -456.227088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.227088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.227088 (E_RNA) where: Base-Base interactions energy: -264.047 where: short stacking energy: -138.193 Base-Backbone interact. energy: -1.215 local terms energy: -190.965587 where: bonds (distance) C4'-P energy: -54.564 bonds (distance) P-C4' energy: -56.387 flat angles C4'-P-C4' energy: -46.165 flat angles P-C4'-P energy: -25.155 tors. eta vs tors. theta energy: -8.695 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: 1, replica: 8 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1193.720853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.720853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.720853 (E_RNA) where: Base-Base interactions energy: -819.798 where: short stacking energy: -350.349 Base-Backbone interact. energy: 0.148 local terms energy: -374.070891 where: bonds (distance) C4'-P energy: -70.458 bonds (distance) P-C4' energy: -67.955 flat angles C4'-P-C4' energy: -76.758 flat angles P-C4'-P energy: -52.219 tors. eta vs tors. theta energy: -106.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1106.674311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.674311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.674311 (E_RNA) where: Base-Base interactions energy: -752.596 where: short stacking energy: -323.631 Base-Backbone interact. energy: -0.267 local terms energy: -353.812142 where: bonds (distance) C4'-P energy: -64.828 bonds (distance) P-C4' energy: -68.599 flat angles C4'-P-C4' energy: -75.734 flat angles P-C4'-P energy: -50.660 tors. eta vs tors. theta energy: -93.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1017.393324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.393324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.393324 (E_RNA) where: Base-Base interactions energy: -689.300 where: short stacking energy: -288.288 Base-Backbone interact. energy: -1.115 local terms energy: -326.977967 where: bonds (distance) C4'-P energy: -63.998 bonds (distance) P-C4' energy: -71.240 flat angles C4'-P-C4' energy: -67.940 flat angles P-C4'-P energy: -39.528 tors. eta vs tors. theta energy: -84.272 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: 4, replica: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -997.035270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.035270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.035270 (E_RNA) where: Base-Base interactions energy: -660.683 where: short stacking energy: -285.071 Base-Backbone interact. energy: -1.531 local terms energy: -334.822098 where: bonds (distance) C4'-P energy: -64.920 bonds (distance) P-C4' energy: -58.378 flat angles C4'-P-C4' energy: -76.803 flat angles P-C4'-P energy: -46.367 tors. eta vs tors. theta energy: -88.355 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: 5, replica: 5 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -963.033206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.033206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.033206 (E_RNA) where: Base-Base interactions energy: -656.619 where: short stacking energy: -294.572 Base-Backbone interact. energy: 0.164 local terms energy: -306.578044 where: bonds (distance) C4'-P energy: -64.265 bonds (distance) P-C4' energy: -62.551 flat angles C4'-P-C4' energy: -62.505 flat angles P-C4'-P energy: -43.020 tors. eta vs tors. theta energy: -74.237 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: 4 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -821.737936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.737936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.737936 (E_RNA) where: Base-Base interactions energy: -548.136 where: short stacking energy: -234.017 Base-Backbone interact. energy: 1.062 local terms energy: -274.664190 where: bonds (distance) C4'-P energy: -55.771 bonds (distance) P-C4' energy: -55.423 flat angles C4'-P-C4' energy: -66.856 flat angles P-C4'-P energy: -44.306 tors. eta vs tors. theta energy: -52.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -676.624413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.624413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.624413 (E_RNA) where: Base-Base interactions energy: -434.823 where: short stacking energy: -197.831 Base-Backbone interact. energy: 1.583 local terms energy: -243.384432 where: bonds (distance) C4'-P energy: -44.462 bonds (distance) P-C4' energy: -63.675 flat angles C4'-P-C4' energy: -48.154 flat angles P-C4'-P energy: -39.689 tors. eta vs tors. theta energy: -47.404 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: 2 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -724.550001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.550001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.550001 (E_RNA) where: Base-Base interactions energy: -473.619 where: short stacking energy: -223.069 Base-Backbone interact. energy: -0.537 local terms energy: -250.394333 where: bonds (distance) C4'-P energy: -53.485 bonds (distance) P-C4' energy: -50.289 flat angles C4'-P-C4' energy: -56.220 flat angles P-C4'-P energy: -35.964 tors. eta vs tors. theta energy: -54.436 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: 9, replica: 1 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -544.438499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.438499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.438499 (E_RNA) where: Base-Base interactions energy: -315.890 where: short stacking energy: -155.467 Base-Backbone interact. energy: -0.774 local terms energy: -227.774623 where: bonds (distance) C4'-P energy: -59.324 bonds (distance) P-C4' energy: -66.227 flat angles C4'-P-C4' energy: -52.681 flat angles P-C4'-P energy: -27.266 tors. eta vs tors. theta energy: -22.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -474.741746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.741746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.741746 (E_RNA) where: Base-Base interactions energy: -279.834 where: short stacking energy: -152.225 Base-Backbone interact. energy: -2.369 local terms energy: -192.539536 where: bonds (distance) C4'-P energy: -39.725 bonds (distance) P-C4' energy: -56.501 flat angles C4'-P-C4' energy: -44.073 flat angles P-C4'-P energy: -24.583 tors. eta vs tors. theta energy: -27.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1183.075907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.075907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.075907 (E_RNA) where: Base-Base interactions energy: -813.728 where: short stacking energy: -330.524 Base-Backbone interact. energy: -2.146 local terms energy: -367.202044 where: bonds (distance) C4'-P energy: -66.386 bonds (distance) P-C4' energy: -72.619 flat angles C4'-P-C4' energy: -78.447 flat angles P-C4'-P energy: -52.643 tors. eta vs tors. theta energy: -97.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1099.563667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.563667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.563667 (E_RNA) where: Base-Base interactions energy: -759.749 where: short stacking energy: -328.624 Base-Backbone interact. energy: -1.377 local terms energy: -338.437922 where: bonds (distance) C4'-P energy: -66.380 bonds (distance) P-C4' energy: -61.534 flat angles C4'-P-C4' energy: -64.266 flat angles P-C4'-P energy: -49.703 tors. eta vs tors. theta energy: -96.555 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: 3 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1026.550678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.550678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.550678 (E_RNA) where: Base-Base interactions energy: -694.555 where: short stacking energy: -295.760 Base-Backbone interact. energy: -1.053 local terms energy: -330.942779 where: bonds (distance) C4'-P energy: -62.604 bonds (distance) P-C4' energy: -63.777 flat angles C4'-P-C4' energy: -71.108 flat angles P-C4'-P energy: -46.089 tors. eta vs tors. theta energy: -87.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1009.560872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.560872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.560872 (E_RNA) where: Base-Base interactions energy: -709.315 where: short stacking energy: -287.983 Base-Backbone interact. energy: 1.028 local terms energy: -301.274073 where: bonds (distance) C4'-P energy: -52.093 bonds (distance) P-C4' energy: -63.100 flat angles C4'-P-C4' energy: -53.804 flat angles P-C4'-P energy: -48.075 tors. eta vs tors. theta energy: -84.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -935.253415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.253415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.253415 (E_RNA) where: Base-Base interactions energy: -638.574 where: short stacking energy: -281.177 Base-Backbone interact. energy: -2.286 local terms energy: -294.394030 where: bonds (distance) C4'-P energy: -54.324 bonds (distance) P-C4' energy: -59.534 flat angles C4'-P-C4' energy: -64.982 flat angles P-C4'-P energy: -48.385 tors. eta vs tors. theta energy: -67.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -791.554214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.554214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.554214 (E_RNA) where: Base-Base interactions energy: -538.677 where: short stacking energy: -227.879 Base-Backbone interact. energy: -2.009 local terms energy: -250.867776 where: bonds (distance) C4'-P energy: -46.679 bonds (distance) P-C4' energy: -65.304 flat angles C4'-P-C4' energy: -54.029 flat angles P-C4'-P energy: -34.755 tors. eta vs tors. theta energy: -50.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -748.874549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.874549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.874549 (E_RNA) where: Base-Base interactions energy: -478.387 where: short stacking energy: -212.779 Base-Backbone interact. energy: -0.884 local terms energy: -269.603539 where: bonds (distance) C4'-P energy: -64.882 bonds (distance) P-C4' energy: -49.971 flat angles C4'-P-C4' energy: -62.493 flat angles P-C4'-P energy: -44.241 tors. eta vs tors. theta energy: -48.016 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: 9 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -700.378770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.378770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.378770 (E_RNA) where: Base-Base interactions energy: -447.822 where: short stacking energy: -199.968 Base-Backbone interact. energy: 1.810 local terms energy: -254.366795 where: bonds (distance) C4'-P energy: -52.327 bonds (distance) P-C4' energy: -62.337 flat angles C4'-P-C4' energy: -62.245 flat angles P-C4'-P energy: -29.668 tors. eta vs tors. theta energy: -47.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -521.564946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.564946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.564946 (E_RNA) where: Base-Base interactions energy: -327.583 where: short stacking energy: -136.810 Base-Backbone interact. energy: -1.744 local terms energy: -192.238034 where: bonds (distance) C4'-P energy: -49.396 bonds (distance) P-C4' energy: -51.778 flat angles C4'-P-C4' energy: -49.577 flat angles P-C4'-P energy: -22.036 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: 10, replica: 7 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -442.797869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.797869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.797869 (E_RNA) where: Base-Base interactions energy: -232.882 where: short stacking energy: -121.131 Base-Backbone interact. energy: 2.605 local terms energy: -212.520682 where: bonds (distance) C4'-P energy: -60.376 bonds (distance) P-C4' energy: -62.589 flat angles C4'-P-C4' energy: -46.676 flat angles P-C4'-P energy: -26.977 tors. eta vs tors. theta energy: -15.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1193.776766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.776766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.776766 (E_RNA) where: Base-Base interactions energy: -825.077 where: short stacking energy: -349.364 Base-Backbone interact. energy: -3.504 local terms energy: -365.195464 where: bonds (distance) C4'-P energy: -66.733 bonds (distance) P-C4' energy: -68.823 flat angles C4'-P-C4' energy: -72.573 flat angles P-C4'-P energy: -53.484 tors. eta vs tors. theta energy: -103.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1104.181035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.181035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.181035 (E_RNA) where: Base-Base interactions energy: -771.903 where: short stacking energy: -328.634 Base-Backbone interact. energy: -1.492 local terms energy: -330.785888 where: bonds (distance) C4'-P energy: -61.590 bonds (distance) P-C4' energy: -58.432 flat angles C4'-P-C4' energy: -74.868 flat angles P-C4'-P energy: -40.667 tors. eta vs tors. theta energy: -95.228 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: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1031.563409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.563409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.563409 (E_RNA) where: Base-Base interactions energy: -695.694 where: short stacking energy: -319.544 Base-Backbone interact. energy: -0.900 local terms energy: -334.969744 where: bonds (distance) C4'-P energy: -67.384 bonds (distance) P-C4' energy: -53.943 flat angles C4'-P-C4' energy: -69.857 flat angles P-C4'-P energy: -50.789 tors. eta vs tors. theta energy: -92.997 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: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1010.808992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.808992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.808992 (E_RNA) where: Base-Base interactions energy: -698.516 where: short stacking energy: -301.934 Base-Backbone interact. energy: -0.004 local terms energy: -312.289089 where: bonds (distance) C4'-P energy: -54.508 bonds (distance) P-C4' energy: -61.116 flat angles C4'-P-C4' energy: -70.569 flat angles P-C4'-P energy: -35.928 tors. eta vs tors. theta energy: -90.167 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: 5 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -982.632125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.632125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.632125 (E_RNA) where: Base-Base interactions energy: -666.411 where: short stacking energy: -287.680 Base-Backbone interact. energy: -1.830 local terms energy: -314.390668 where: bonds (distance) C4'-P energy: -64.142 bonds (distance) P-C4' energy: -57.800 flat angles C4'-P-C4' energy: -63.243 flat angles P-C4'-P energy: -45.427 tors. eta vs tors. theta energy: -83.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -837.320091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.320091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.320091 (E_RNA) where: Base-Base interactions energy: -560.335 where: short stacking energy: -222.725 Base-Backbone interact. energy: -1.061 local terms energy: -275.923340 where: bonds (distance) C4'-P energy: -51.749 bonds (distance) P-C4' energy: -69.629 flat angles C4'-P-C4' energy: -65.034 flat angles P-C4'-P energy: -37.017 tors. eta vs tors. theta energy: -52.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -735.861728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.861728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.861728 (E_RNA) where: Base-Base interactions energy: -476.638 where: short stacking energy: -211.511 Base-Backbone interact. energy: -0.936 local terms energy: -258.287727 where: bonds (distance) C4'-P energy: -63.264 bonds (distance) P-C4' energy: -62.293 flat angles C4'-P-C4' energy: -47.278 flat angles P-C4'-P energy: -32.606 tors. eta vs tors. theta energy: -52.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -761.337260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.337260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.337260 (E_RNA) where: Base-Base interactions energy: -487.946 where: short stacking energy: -219.965 Base-Backbone interact. energy: -0.572 local terms energy: -272.819134 where: bonds (distance) C4'-P energy: -54.997 bonds (distance) P-C4' energy: -64.320 flat angles C4'-P-C4' energy: -58.776 flat angles P-C4'-P energy: -37.518 tors. eta vs tors. theta energy: -57.209 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: 1 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -556.697758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.697758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.697758 (E_RNA) where: Base-Base interactions energy: -353.690 where: short stacking energy: -164.990 Base-Backbone interact. energy: -0.894 local terms energy: -202.113973 where: bonds (distance) C4'-P energy: -52.375 bonds (distance) P-C4' energy: -51.243 flat angles C4'-P-C4' energy: -48.816 flat angles P-C4'-P energy: -30.015 tors. eta vs tors. theta energy: -19.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -447.790830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.790830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.790830 (E_RNA) where: Base-Base interactions energy: -250.359 where: short stacking energy: -137.053 Base-Backbone interact. energy: -1.261 local terms energy: -196.170786 where: bonds (distance) C4'-P energy: -45.628 bonds (distance) P-C4' energy: -59.043 flat angles C4'-P-C4' energy: -54.250 flat angles P-C4'-P energy: -18.162 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: 1, replica: 8 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1159.723961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.723961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.723961 (E_RNA) where: Base-Base interactions energy: -796.173 where: short stacking energy: -346.128 Base-Backbone interact. energy: -2.287 local terms energy: -361.263957 where: bonds (distance) C4'-P energy: -55.352 bonds (distance) P-C4' energy: -72.060 flat angles C4'-P-C4' energy: -79.427 flat angles P-C4'-P energy: -53.816 tors. eta vs tors. theta energy: -100.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1110.763441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.763441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.763441 (E_RNA) where: Base-Base interactions energy: -747.019 where: short stacking energy: -324.400 Base-Backbone interact. energy: -0.763 local terms energy: -362.980837 where: bonds (distance) C4'-P energy: -68.588 bonds (distance) P-C4' energy: -66.960 flat angles C4'-P-C4' energy: -78.963 flat angles P-C4'-P energy: -50.296 tors. eta vs tors. theta energy: -98.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1072.337493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.337493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.337493 (E_RNA) where: Base-Base interactions energy: -730.416 where: short stacking energy: -325.061 Base-Backbone interact. energy: -1.538 local terms energy: -340.383333 where: bonds (distance) C4'-P energy: -69.373 bonds (distance) P-C4' energy: -51.916 flat angles C4'-P-C4' energy: -71.077 flat angles P-C4'-P energy: -51.994 tors. eta vs tors. theta energy: -96.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -998.599220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.599220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.599220 (E_RNA) where: Base-Base interactions energy: -670.044 where: short stacking energy: -300.999 Base-Backbone interact. energy: -0.559 local terms energy: -327.996250 where: bonds (distance) C4'-P energy: -60.973 bonds (distance) P-C4' energy: -67.129 flat angles C4'-P-C4' energy: -68.304 flat angles P-C4'-P energy: -44.197 tors. eta vs tors. theta energy: -87.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -974.973276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.973276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.973276 (E_RNA) where: Base-Base interactions energy: -656.883 where: short stacking energy: -284.272 Base-Backbone interact. energy: -1.422 local terms energy: -316.668624 where: bonds (distance) C4'-P energy: -57.693 bonds (distance) P-C4' energy: -68.325 flat angles C4'-P-C4' energy: -63.305 flat angles P-C4'-P energy: -51.234 tors. eta vs tors. theta energy: -76.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -863.656598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.656598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.656598 (E_RNA) where: Base-Base interactions energy: -598.684 where: short stacking energy: -250.951 Base-Backbone interact. energy: 0.897 local terms energy: -265.870238 where: bonds (distance) C4'-P energy: -51.181 bonds (distance) P-C4' energy: -64.869 flat angles C4'-P-C4' energy: -50.751 flat angles P-C4'-P energy: -43.927 tors. eta vs tors. theta energy: -55.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -796.866783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.866783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.866783 (E_RNA) where: Base-Base interactions energy: -553.321 where: short stacking energy: -229.919 Base-Backbone interact. energy: -1.421 local terms energy: -242.124891 where: bonds (distance) C4'-P energy: -52.225 bonds (distance) P-C4' energy: -46.593 flat angles C4'-P-C4' energy: -59.768 flat angles P-C4'-P energy: -28.910 tors. eta vs tors. theta energy: -54.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -689.146072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.146072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.146072 (E_RNA) where: Base-Base interactions energy: -433.463 where: short stacking energy: -196.457 Base-Backbone interact. energy: -0.949 local terms energy: -254.733754 where: bonds (distance) C4'-P energy: -48.352 bonds (distance) P-C4' energy: -64.596 flat angles C4'-P-C4' energy: -58.812 flat angles P-C4'-P energy: -34.269 tors. eta vs tors. theta energy: -48.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -620.097654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.097654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.097654 (E_RNA) where: Base-Base interactions energy: -390.699 where: short stacking energy: -176.510 Base-Backbone interact. energy: 3.104 local terms energy: -232.502689 where: bonds (distance) C4'-P energy: -50.073 bonds (distance) P-C4' energy: -60.459 flat angles C4'-P-C4' energy: -48.931 flat angles P-C4'-P energy: -34.682 tors. eta vs tors. theta energy: -38.358 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: 7 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -453.061444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.061444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.061444 (E_RNA) where: Base-Base interactions energy: -251.072 where: short stacking energy: -151.323 Base-Backbone interact. energy: -0.384 local terms energy: -201.605496 where: bonds (distance) C4'-P energy: -41.082 bonds (distance) P-C4' energy: -62.740 flat angles C4'-P-C4' energy: -49.101 flat angles P-C4'-P energy: -23.699 tors. eta vs tors. theta energy: -24.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1174.086952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.086952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.086952 (E_RNA) where: Base-Base interactions energy: -807.118 where: short stacking energy: -357.094 Base-Backbone interact. energy: -4.925 local terms energy: -362.044286 where: bonds (distance) C4'-P energy: -70.030 bonds (distance) P-C4' energy: -57.549 flat angles C4'-P-C4' energy: -76.906 flat angles P-C4'-P energy: -50.492 tors. eta vs tors. theta energy: -107.067 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: 10 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1109.744802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.744802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.744802 (E_RNA) where: Base-Base interactions energy: -759.874 where: short stacking energy: -311.945 Base-Backbone interact. energy: -1.194 local terms energy: -348.676563 where: bonds (distance) C4'-P energy: -63.910 bonds (distance) P-C4' energy: -66.769 flat angles C4'-P-C4' energy: -74.510 flat angles P-C4'-P energy: -46.131 tors. eta vs tors. theta energy: -97.357 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: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1051.706611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.706611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.706611 (E_RNA) where: Base-Base interactions energy: -708.559 where: short stacking energy: -313.325 Base-Backbone interact. energy: -2.622 local terms energy: -340.525262 where: bonds (distance) C4'-P energy: -60.747 bonds (distance) P-C4' energy: -60.125 flat angles C4'-P-C4' energy: -72.728 flat angles P-C4'-P energy: -45.633 tors. eta vs tors. theta energy: -101.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -957.108627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.108627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.108627 (E_RNA) where: Base-Base interactions energy: -648.953 where: short stacking energy: -293.039 Base-Backbone interact. energy: -1.638 local terms energy: -306.517975 where: bonds (distance) C4'-P energy: -55.863 bonds (distance) P-C4' energy: -54.671 flat angles C4'-P-C4' energy: -71.022 flat angles P-C4'-P energy: -48.433 tors. eta vs tors. theta energy: -76.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1001.274957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.274957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.274957 (E_RNA) where: Base-Base interactions energy: -693.578 where: short stacking energy: -298.476 Base-Backbone interact. energy: 0.239 local terms energy: -307.935459 where: bonds (distance) C4'-P energy: -58.759 bonds (distance) P-C4' energy: -55.728 flat angles C4'-P-C4' energy: -69.059 flat angles P-C4'-P energy: -39.212 tors. eta vs tors. theta energy: -85.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -858.613431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.613431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.613431 (E_RNA) where: Base-Base interactions energy: -588.335 where: short stacking energy: -247.618 Base-Backbone interact. energy: -1.078 local terms energy: -269.200811 where: bonds (distance) C4'-P energy: -54.058 bonds (distance) P-C4' energy: -45.423 flat angles C4'-P-C4' energy: -67.454 flat angles P-C4'-P energy: -43.841 tors. eta vs tors. theta energy: -58.423 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: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -808.814736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.814736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.814736 (E_RNA) where: Base-Base interactions energy: -537.209 where: short stacking energy: -244.972 Base-Backbone interact. energy: 1.342 local terms energy: -272.947655 where: bonds (distance) C4'-P energy: -48.910 bonds (distance) P-C4' energy: -64.564 flat angles C4'-P-C4' energy: -57.792 flat angles P-C4'-P energy: -39.374 tors. eta vs tors. theta energy: -62.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -724.038571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.038571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.038571 (E_RNA) where: Base-Base interactions energy: -476.559 where: short stacking energy: -217.366 Base-Backbone interact. energy: -0.562 local terms energy: -246.916755 where: bonds (distance) C4'-P energy: -45.612 bonds (distance) P-C4' energy: -54.087 flat angles C4'-P-C4' energy: -61.900 flat angles P-C4'-P energy: -31.893 tors. eta vs tors. theta energy: -53.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -632.380555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.380555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.380555 (E_RNA) where: Base-Base interactions energy: -432.031 where: short stacking energy: -196.385 Base-Backbone interact. energy: -1.544 local terms energy: -198.805380 where: bonds (distance) C4'-P energy: -41.583 bonds (distance) P-C4' energy: -51.892 flat angles C4'-P-C4' energy: -50.663 flat angles P-C4'-P energy: -22.515 tors. eta vs tors. theta energy: -32.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -425.575585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.575585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.575585 (E_RNA) where: Base-Base interactions energy: -235.656 where: short stacking energy: -115.817 Base-Backbone interact. energy: -0.407 local terms energy: -189.512012 where: bonds (distance) C4'-P energy: -30.940 bonds (distance) P-C4' energy: -64.552 flat angles C4'-P-C4' energy: -46.984 flat angles P-C4'-P energy: -34.990 tors. eta vs tors. theta energy: -12.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1118.579598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.579598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.579598 (E_RNA) where: Base-Base interactions energy: -776.441 where: short stacking energy: -316.667 Base-Backbone interact. energy: -4.092 local terms energy: -338.047189 where: bonds (distance) C4'-P energy: -61.186 bonds (distance) P-C4' energy: -66.342 flat angles C4'-P-C4' energy: -66.906 flat angles P-C4'-P energy: -49.518 tors. eta vs tors. theta energy: -94.095 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: 8 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1166.981531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.981531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.981531 (E_RNA) where: Base-Base interactions energy: -799.858 where: short stacking energy: -355.737 Base-Backbone interact. energy: -1.987 local terms energy: -365.136363 where: bonds (distance) C4'-P energy: -66.503 bonds (distance) P-C4' energy: -68.109 flat angles C4'-P-C4' energy: -73.918 flat angles P-C4'-P energy: -54.751 tors. eta vs tors. theta energy: -101.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1051.888100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.888100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.888100 (E_RNA) where: Base-Base interactions energy: -714.531 where: short stacking energy: -321.375 Base-Backbone interact. energy: 2.486 local terms energy: -339.843888 where: bonds (distance) C4'-P energy: -65.650 bonds (distance) P-C4' energy: -49.681 flat angles C4'-P-C4' energy: -68.447 flat angles P-C4'-P energy: -54.693 tors. eta vs tors. theta energy: -101.373 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: 4, replica: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -969.853436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.853436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.853436 (E_RNA) where: Base-Base interactions energy: -647.952 where: short stacking energy: -283.165 Base-Backbone interact. energy: -1.051 local terms energy: -320.850401 where: bonds (distance) C4'-P energy: -52.290 bonds (distance) P-C4' energy: -65.141 flat angles C4'-P-C4' energy: -76.182 flat angles P-C4'-P energy: -50.062 tors. eta vs tors. theta energy: -77.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -996.554863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.554863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.554863 (E_RNA) where: Base-Base interactions energy: -678.218 where: short stacking energy: -320.278 Base-Backbone interact. energy: -0.687 local terms energy: -317.649933 where: bonds (distance) C4'-P energy: -56.835 bonds (distance) P-C4' energy: -58.067 flat angles C4'-P-C4' energy: -72.166 flat angles P-C4'-P energy: -43.309 tors. eta vs tors. theta energy: -87.273 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: 4 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -829.899251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.899251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.899251 (E_RNA) where: Base-Base interactions energy: -573.745 where: short stacking energy: -233.530 Base-Backbone interact. energy: -1.357 local terms energy: -254.797466 where: bonds (distance) C4'-P energy: -55.556 bonds (distance) P-C4' energy: -50.986 flat angles C4'-P-C4' energy: -67.630 flat angles P-C4'-P energy: -24.877 tors. eta vs tors. theta energy: -55.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -826.408537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.408537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.408537 (E_RNA) where: Base-Base interactions energy: -551.205 where: short stacking energy: -242.833 Base-Backbone interact. energy: -0.788 local terms energy: -274.415607 where: bonds (distance) C4'-P energy: -57.847 bonds (distance) P-C4' energy: -55.814 flat angles C4'-P-C4' energy: -56.457 flat angles P-C4'-P energy: -43.248 tors. eta vs tors. theta energy: -61.050 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: 2 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -718.049818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.049818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.049818 (E_RNA) where: Base-Base interactions energy: -455.489 where: short stacking energy: -212.690 Base-Backbone interact. energy: 0.203 local terms energy: -262.763016 where: bonds (distance) C4'-P energy: -61.492 bonds (distance) P-C4' energy: -60.256 flat angles C4'-P-C4' energy: -59.886 flat angles P-C4'-P energy: -24.972 tors. eta vs tors. theta energy: -56.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -670.603793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.603793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.603793 (E_RNA) where: Base-Base interactions energy: -441.831 where: short stacking energy: -180.642 Base-Backbone interact. energy: 3.626 local terms energy: -232.399064 where: bonds (distance) C4'-P energy: -45.058 bonds (distance) P-C4' energy: -56.025 flat angles C4'-P-C4' energy: -59.307 flat angles P-C4'-P energy: -34.740 tors. eta vs tors. theta energy: -37.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -461.186407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.186407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.186407 (E_RNA) where: Base-Base interactions energy: -282.474 where: short stacking energy: -125.312 Base-Backbone interact. energy: -1.676 local terms energy: -177.036292 where: bonds (distance) C4'-P energy: -35.752 bonds (distance) P-C4' energy: -52.499 flat angles C4'-P-C4' energy: -40.858 flat angles P-C4'-P energy: -37.769 tors. eta vs tors. theta energy: -10.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1139.143382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.143382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.143382 (E_RNA) where: Base-Base interactions energy: -785.230 where: short stacking energy: -330.354 Base-Backbone interact. energy: 0.308 local terms energy: -354.221302 where: bonds (distance) C4'-P energy: -62.162 bonds (distance) P-C4' energy: -67.994 flat angles C4'-P-C4' energy: -69.626 flat angles P-C4'-P energy: -56.255 tors. eta vs tors. theta energy: -98.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1139.510853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.510853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.510853 (E_RNA) where: Base-Base interactions energy: -791.056 where: short stacking energy: -330.186 Base-Backbone interact. energy: -1.344 local terms energy: -347.110473 where: bonds (distance) C4'-P energy: -60.741 bonds (distance) P-C4' energy: -66.430 flat angles C4'-P-C4' energy: -71.793 flat angles P-C4'-P energy: -52.735 tors. eta vs tors. theta energy: -95.411 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: 3, replica: 3 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1035.306996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.306996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.306996 (E_RNA) where: Base-Base interactions energy: -717.459 where: short stacking energy: -298.405 Base-Backbone interact. energy: -2.625 local terms energy: -315.223599 where: bonds (distance) C4'-P energy: -52.302 bonds (distance) P-C4' energy: -52.702 flat angles C4'-P-C4' energy: -65.719 flat angles P-C4'-P energy: -45.044 tors. eta vs tors. theta energy: -99.457 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: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -979.451060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.451060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.451060 (E_RNA) where: Base-Base interactions energy: -675.378 where: short stacking energy: -275.136 Base-Backbone interact. energy: -2.490 local terms energy: -301.582476 where: bonds (distance) C4'-P energy: -61.020 bonds (distance) P-C4' energy: -50.025 flat angles C4'-P-C4' energy: -63.557 flat angles P-C4'-P energy: -43.219 tors. eta vs tors. theta energy: -83.762 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: 5 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -925.611276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.611276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.611276 (E_RNA) where: Base-Base interactions energy: -633.202 where: short stacking energy: -279.773 Base-Backbone interact. energy: -1.505 local terms energy: -290.903746 where: bonds (distance) C4'-P energy: -65.580 bonds (distance) P-C4' energy: -61.276 flat angles C4'-P-C4' energy: -56.746 flat angles P-C4'-P energy: -34.352 tors. eta vs tors. theta energy: -72.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -870.276964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.276964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.276964 (E_RNA) where: Base-Base interactions energy: -594.405 where: short stacking energy: -237.202 Base-Backbone interact. energy: -1.033 local terms energy: -274.839220 where: bonds (distance) C4'-P energy: -53.214 bonds (distance) P-C4' energy: -55.719 flat angles C4'-P-C4' energy: -63.441 flat angles P-C4'-P energy: -39.731 tors. eta vs tors. theta energy: -62.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -798.068339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.068339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.068339 (E_RNA) where: Base-Base interactions energy: -546.470 where: short stacking energy: -240.083 Base-Backbone interact. energy: -0.517 local terms energy: -251.081743 where: bonds (distance) C4'-P energy: -43.802 bonds (distance) P-C4' energy: -50.176 flat angles C4'-P-C4' energy: -63.386 flat angles P-C4'-P energy: -33.882 tors. eta vs tors. theta energy: -59.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -735.130854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.130854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.130854 (E_RNA) where: Base-Base interactions energy: -460.121 where: short stacking energy: -201.330 Base-Backbone interact. energy: -0.653 local terms energy: -274.357025 where: bonds (distance) C4'-P energy: -56.126 bonds (distance) P-C4' energy: -66.890 flat angles C4'-P-C4' energy: -63.307 flat angles P-C4'-P energy: -34.693 tors. eta vs tors. theta energy: -53.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -595.421920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.421920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.421920 (E_RNA) where: Base-Base interactions energy: -383.764 where: short stacking energy: -179.083 Base-Backbone interact. energy: 2.194 local terms energy: -213.851306 where: bonds (distance) C4'-P energy: -31.891 bonds (distance) P-C4' energy: -57.269 flat angles C4'-P-C4' energy: -60.125 flat angles P-C4'-P energy: -34.343 tors. eta vs tors. theta energy: -30.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -447.348372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.348372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.348372 (E_RNA) where: Base-Base interactions energy: -258.911 where: short stacking energy: -126.557 Base-Backbone interact. energy: -0.776 local terms energy: -187.661192 where: bonds (distance) C4'-P energy: -36.520 bonds (distance) P-C4' energy: -58.518 flat angles C4'-P-C4' energy: -49.631 flat angles P-C4'-P energy: -44.163 tors. eta vs tors. theta energy: 1.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1146.349689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.349689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.349689 (E_RNA) where: Base-Base interactions energy: -801.330 where: short stacking energy: -351.525 Base-Backbone interact. energy: -1.020 local terms energy: -343.999632 where: bonds (distance) C4'-P energy: -57.015 bonds (distance) P-C4' energy: -72.396 flat angles C4'-P-C4' energy: -69.632 flat angles P-C4'-P energy: -51.199 tors. eta vs tors. theta energy: -93.757 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: 8 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1134.410167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.410167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.410167 (E_RNA) where: Base-Base interactions energy: -781.584 where: short stacking energy: -326.165 Base-Backbone interact. energy: -2.450 local terms energy: -350.376555 where: bonds (distance) C4'-P energy: -63.285 bonds (distance) P-C4' energy: -74.840 flat angles C4'-P-C4' energy: -71.278 flat angles P-C4'-P energy: -45.105 tors. eta vs tors. theta energy: -95.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1046.786913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.786913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.786913 (E_RNA) where: Base-Base interactions energy: -698.108 where: short stacking energy: -316.451 Base-Backbone interact. energy: -0.613 local terms energy: -348.065870 where: bonds (distance) C4'-P energy: -59.405 bonds (distance) P-C4' energy: -66.444 flat angles C4'-P-C4' energy: -68.891 flat angles P-C4'-P energy: -50.353 tors. eta vs tors. theta energy: -102.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1006.109303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.109303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.109303 (E_RNA) where: Base-Base interactions energy: -677.712 where: short stacking energy: -298.770 Base-Backbone interact. energy: -1.960 local terms energy: -326.437188 where: bonds (distance) C4'-P energy: -71.090 bonds (distance) P-C4' energy: -63.598 flat angles C4'-P-C4' energy: -67.771 flat angles P-C4'-P energy: -40.594 tors. eta vs tors. theta energy: -83.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -974.913644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.913644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.913644 (E_RNA) where: Base-Base interactions energy: -661.067 where: short stacking energy: -294.963 Base-Backbone interact. energy: 0.044 local terms energy: -313.890739 where: bonds (distance) C4'-P energy: -64.719 bonds (distance) P-C4' energy: -50.853 flat angles C4'-P-C4' energy: -77.395 flat angles P-C4'-P energy: -41.283 tors. eta vs tors. theta energy: -79.641 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: 4 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -837.980694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.980694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.980694 (E_RNA) where: Base-Base interactions energy: -559.784 where: short stacking energy: -241.751 Base-Backbone interact. energy: -1.258 local terms energy: -276.939327 where: bonds (distance) C4'-P energy: -54.452 bonds (distance) P-C4' energy: -51.250 flat angles C4'-P-C4' energy: -67.328 flat angles P-C4'-P energy: -44.515 tors. eta vs tors. theta energy: -59.394 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: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -812.361213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.361213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.361213 (E_RNA) where: Base-Base interactions energy: -545.502 where: short stacking energy: -232.264 Base-Backbone interact. energy: -1.824 local terms energy: -265.035266 where: bonds (distance) C4'-P energy: -47.880 bonds (distance) P-C4' energy: -57.734 flat angles C4'-P-C4' energy: -59.407 flat angles P-C4'-P energy: -44.563 tors. eta vs tors. theta energy: -55.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -690.682349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.682349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.682349 (E_RNA) where: Base-Base interactions energy: -431.221 where: short stacking energy: -206.062 Base-Backbone interact. energy: -0.935 local terms energy: -258.525815 where: bonds (distance) C4'-P energy: -59.449 bonds (distance) P-C4' energy: -60.161 flat angles C4'-P-C4' energy: -63.238 flat angles P-C4'-P energy: -32.867 tors. eta vs tors. theta energy: -42.811 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: 1 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -594.283325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.283325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.283325 (E_RNA) where: Base-Base interactions energy: -361.290 where: short stacking energy: -148.855 Base-Backbone interact. energy: -0.598 local terms energy: -232.395486 where: bonds (distance) C4'-P energy: -55.705 bonds (distance) P-C4' energy: -60.430 flat angles C4'-P-C4' energy: -52.252 flat angles P-C4'-P energy: -34.059 tors. eta vs tors. theta energy: -29.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -379.059611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.059611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.059611 (E_RNA) where: Base-Base interactions energy: -195.688 where: short stacking energy: -108.767 Base-Backbone interact. energy: 0.885 local terms energy: -184.256344 where: bonds (distance) C4'-P energy: -62.012 bonds (distance) P-C4' energy: -47.424 flat angles C4'-P-C4' energy: -42.455 flat angles P-C4'-P energy: -29.693 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: 10 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1122.419921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.419921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.419921 (E_RNA) where: Base-Base interactions energy: -768.951 where: short stacking energy: -316.317 Base-Backbone interact. energy: -4.842 local terms energy: -348.626644 where: bonds (distance) C4'-P energy: -60.522 bonds (distance) P-C4' energy: -72.283 flat angles C4'-P-C4' energy: -74.680 flat angles P-C4'-P energy: -46.155 tors. eta vs tors. theta energy: -94.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1139.528810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.528810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.528810 (E_RNA) where: Base-Base interactions energy: -782.106 where: short stacking energy: -333.413 Base-Backbone interact. energy: -2.847 local terms energy: -354.575467 where: bonds (distance) C4'-P energy: -55.062 bonds (distance) P-C4' energy: -68.285 flat angles C4'-P-C4' energy: -76.487 flat angles P-C4'-P energy: -52.995 tors. eta vs tors. theta energy: -101.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1064.505512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.505512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.505512 (E_RNA) where: Base-Base interactions energy: -723.062 where: short stacking energy: -318.207 Base-Backbone interact. energy: -1.116 local terms energy: -340.327439 where: bonds (distance) C4'-P energy: -59.310 bonds (distance) P-C4' energy: -63.004 flat angles C4'-P-C4' energy: -73.117 flat angles P-C4'-P energy: -49.081 tors. eta vs tors. theta energy: -95.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -983.833689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.833689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.833689 (E_RNA) where: Base-Base interactions energy: -672.390 where: short stacking energy: -301.211 Base-Backbone interact. energy: -2.941 local terms energy: -308.502594 where: bonds (distance) C4'-P energy: -52.282 bonds (distance) P-C4' energy: -69.454 flat angles C4'-P-C4' energy: -67.516 flat angles P-C4'-P energy: -39.461 tors. eta vs tors. theta energy: -79.790 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: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -991.483406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.483406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.483406 (E_RNA) where: Base-Base interactions energy: -693.120 where: short stacking energy: -302.451 Base-Backbone interact. energy: 0.884 local terms energy: -299.246783 where: bonds (distance) C4'-P energy: -48.961 bonds (distance) P-C4' energy: -50.886 flat angles C4'-P-C4' energy: -68.410 flat angles P-C4'-P energy: -40.542 tors. eta vs tors. theta energy: -90.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -856.975499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.975499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.975499 (E_RNA) where: Base-Base interactions energy: -575.009 where: short stacking energy: -249.921 Base-Backbone interact. energy: -1.049 local terms energy: -280.917419 where: bonds (distance) C4'-P energy: -53.119 bonds (distance) P-C4' energy: -62.653 flat angles C4'-P-C4' energy: -59.311 flat angles P-C4'-P energy: -38.549 tors. eta vs tors. theta energy: -67.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -861.718648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.718648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.718648 (E_RNA) where: Base-Base interactions energy: -591.063 where: short stacking energy: -256.963 Base-Backbone interact. energy: -2.112 local terms energy: -268.543891 where: bonds (distance) C4'-P energy: -58.994 bonds (distance) P-C4' energy: -54.254 flat angles C4'-P-C4' energy: -58.730 flat angles P-C4'-P energy: -32.128 tors. eta vs tors. theta energy: -64.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -744.084760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.084760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.084760 (E_RNA) where: Base-Base interactions energy: -463.447 where: short stacking energy: -232.125 Base-Backbone interact. energy: 0.543 local terms energy: -281.181424 where: bonds (distance) C4'-P energy: -47.053 bonds (distance) P-C4' energy: -57.260 flat angles C4'-P-C4' energy: -68.375 flat angles P-C4'-P energy: -39.120 tors. eta vs tors. theta energy: -69.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -639.707126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.707126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.707126 (E_RNA) where: Base-Base interactions energy: -426.592 where: short stacking energy: -181.627 Base-Backbone interact. energy: 0.332 local terms energy: -213.447401 where: bonds (distance) C4'-P energy: -43.985 bonds (distance) P-C4' energy: -51.873 flat angles C4'-P-C4' energy: -56.238 flat angles P-C4'-P energy: -29.194 tors. eta vs tors. theta energy: -32.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -359.550803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.550803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.550803 (E_RNA) where: Base-Base interactions energy: -179.795 where: short stacking energy: -109.266 Base-Backbone interact. energy: 1.597 local terms energy: -181.352883 where: bonds (distance) C4'-P energy: -46.666 bonds (distance) P-C4' energy: -51.846 flat angles C4'-P-C4' energy: -54.727 flat angles P-C4'-P energy: -22.861 tors. eta vs tors. theta energy: -5.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1176.534326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.534326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.534326 (E_RNA) where: Base-Base interactions energy: -802.106 where: short stacking energy: -347.691 Base-Backbone interact. energy: -2.662 local terms energy: -371.765481 where: bonds (distance) C4'-P energy: -68.138 bonds (distance) P-C4' energy: -64.601 flat angles C4'-P-C4' energy: -83.878 flat angles P-C4'-P energy: -50.968 tors. eta vs tors. theta energy: -104.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1102.120092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.120092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.120092 (E_RNA) where: Base-Base interactions energy: -761.636 where: short stacking energy: -310.114 Base-Backbone interact. energy: -1.277 local terms energy: -339.207690 where: bonds (distance) C4'-P energy: -56.588 bonds (distance) P-C4' energy: -68.869 flat angles C4'-P-C4' energy: -66.890 flat angles P-C4'-P energy: -51.550 tors. eta vs tors. theta energy: -95.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1058.642751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.642751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.642751 (E_RNA) where: Base-Base interactions energy: -721.383 where: short stacking energy: -307.223 Base-Backbone interact. energy: -2.404 local terms energy: -334.856168 where: bonds (distance) C4'-P energy: -60.477 bonds (distance) P-C4' energy: -62.134 flat angles C4'-P-C4' energy: -70.749 flat angles P-C4'-P energy: -52.449 tors. eta vs tors. theta energy: -89.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -973.619036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.619036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.619036 (E_RNA) where: Base-Base interactions energy: -654.109 where: short stacking energy: -288.249 Base-Backbone interact. energy: 0.582 local terms energy: -320.091317 where: bonds (distance) C4'-P energy: -56.135 bonds (distance) P-C4' energy: -66.655 flat angles C4'-P-C4' energy: -70.942 flat angles P-C4'-P energy: -41.480 tors. eta vs tors. theta energy: -84.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -991.737136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.737136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.737136 (E_RNA) where: Base-Base interactions energy: -687.850 where: short stacking energy: -311.153 Base-Backbone interact. energy: -0.942 local terms energy: -302.944809 where: bonds (distance) C4'-P energy: -49.706 bonds (distance) P-C4' energy: -56.400 flat angles C4'-P-C4' energy: -59.245 flat angles P-C4'-P energy: -50.497 tors. eta vs tors. theta energy: -87.098 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: 4 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -864.320040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.320040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.320040 (E_RNA) where: Base-Base interactions energy: -597.210 where: short stacking energy: -230.257 Base-Backbone interact. energy: -1.764 local terms energy: -265.345689 where: bonds (distance) C4'-P energy: -54.777 bonds (distance) P-C4' energy: -55.992 flat angles C4'-P-C4' energy: -51.155 flat angles P-C4'-P energy: -44.155 tors. eta vs tors. theta energy: -59.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -875.834492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.834492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.834492 (E_RNA) where: Base-Base interactions energy: -600.942 where: short stacking energy: -248.913 Base-Backbone interact. energy: -1.050 local terms energy: -273.841940 where: bonds (distance) C4'-P energy: -53.145 bonds (distance) P-C4' energy: -53.168 flat angles C4'-P-C4' energy: -63.615 flat angles P-C4'-P energy: -33.998 tors. eta vs tors. theta energy: -69.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -695.281140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.281140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.281140 (E_RNA) where: Base-Base interactions energy: -428.986 where: short stacking energy: -210.189 Base-Backbone interact. energy: -0.344 local terms energy: -265.951218 where: bonds (distance) C4'-P energy: -51.995 bonds (distance) P-C4' energy: -59.842 flat angles C4'-P-C4' energy: -64.220 flat angles P-C4'-P energy: -37.825 tors. eta vs tors. theta energy: -52.069 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: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -613.944566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.944566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.944566 (E_RNA) where: Base-Base interactions energy: -390.714 where: short stacking energy: -175.214 Base-Backbone interact. energy: 0.334 local terms energy: -223.564858 where: bonds (distance) C4'-P energy: -46.251 bonds (distance) P-C4' energy: -53.448 flat angles C4'-P-C4' energy: -51.290 flat angles P-C4'-P energy: -43.723 tors. eta vs tors. theta energy: -28.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -388.330381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.330381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.330381 (E_RNA) where: Base-Base interactions energy: -203.031 where: short stacking energy: -125.633 Base-Backbone interact. energy: -1.015 local terms energy: -184.283835 where: bonds (distance) C4'-P energy: -50.613 bonds (distance) P-C4' energy: -51.414 flat angles C4'-P-C4' energy: -42.660 flat angles P-C4'-P energy: -27.882 tors. eta vs tors. theta energy: -11.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1190.893531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.893531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.893531 (E_RNA) where: Base-Base interactions energy: -809.241 where: short stacking energy: -350.253 Base-Backbone interact. energy: -1.340 local terms energy: -380.313176 where: bonds (distance) C4'-P energy: -67.919 bonds (distance) P-C4' energy: -69.644 flat angles C4'-P-C4' energy: -74.659 flat angles P-C4'-P energy: -59.511 tors. eta vs tors. theta energy: -108.580 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: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1107.106790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.106790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.106790 (E_RNA) where: Base-Base interactions energy: -762.668 where: short stacking energy: -333.742 Base-Backbone interact. energy: -1.281 local terms energy: -343.157754 where: bonds (distance) C4'-P energy: -58.734 bonds (distance) P-C4' energy: -66.418 flat angles C4'-P-C4' energy: -71.233 flat angles P-C4'-P energy: -50.447 tors. eta vs tors. theta energy: -96.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1069.610816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.610816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.610816 (E_RNA) where: Base-Base interactions energy: -736.021 where: short stacking energy: -308.244 Base-Backbone interact. energy: -1.526 local terms energy: -332.064339 where: bonds (distance) C4'-P energy: -67.817 bonds (distance) P-C4' energy: -62.237 flat angles C4'-P-C4' energy: -62.866 flat angles P-C4'-P energy: -52.989 tors. eta vs tors. theta energy: -86.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1004.165500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.165500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.165500 (E_RNA) where: Base-Base interactions energy: -693.992 where: short stacking energy: -288.553 Base-Backbone interact. energy: -0.915 local terms energy: -309.258222 where: bonds (distance) C4'-P energy: -55.774 bonds (distance) P-C4' energy: -56.208 flat angles C4'-P-C4' energy: -67.906 flat angles P-C4'-P energy: -45.172 tors. eta vs tors. theta energy: -84.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -950.321408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.321408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.321408 (E_RNA) where: Base-Base interactions energy: -648.096 where: short stacking energy: -278.764 Base-Backbone interact. energy: 0.148 local terms energy: -302.373588 where: bonds (distance) C4'-P energy: -55.865 bonds (distance) P-C4' energy: -65.530 flat angles C4'-P-C4' energy: -60.785 flat angles P-C4'-P energy: -50.578 tors. eta vs tors. theta energy: -69.615 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: 4 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -864.957381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.957381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.957381 (E_RNA) where: Base-Base interactions energy: -587.352 where: short stacking energy: -236.159 Base-Backbone interact. energy: 0.213 local terms energy: -277.818351 where: bonds (distance) C4'-P energy: -63.639 bonds (distance) P-C4' energy: -54.641 flat angles C4'-P-C4' energy: -66.352 flat angles P-C4'-P energy: -35.795 tors. eta vs tors. theta energy: -57.391 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: 9 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -801.817128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.817128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.817128 (E_RNA) where: Base-Base interactions energy: -518.862 where: short stacking energy: -223.981 Base-Backbone interact. energy: -1.720 local terms energy: -281.234713 where: bonds (distance) C4'-P energy: -60.405 bonds (distance) P-C4' energy: -54.877 flat angles C4'-P-C4' energy: -63.898 flat angles P-C4'-P energy: -40.160 tors. eta vs tors. theta energy: -61.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -680.016353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.016353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.016353 (E_RNA) where: Base-Base interactions energy: -427.468 where: short stacking energy: -200.843 Base-Backbone interact. energy: -0.704 local terms energy: -251.844507 where: bonds (distance) C4'-P energy: -36.641 bonds (distance) P-C4' energy: -65.199 flat angles C4'-P-C4' energy: -71.023 flat angles P-C4'-P energy: -33.803 tors. eta vs tors. theta energy: -45.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -607.817240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.817240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.817240 (E_RNA) where: Base-Base interactions energy: -381.754 where: short stacking energy: -161.960 Base-Backbone interact. energy: -2.975 local terms energy: -223.088267 where: bonds (distance) C4'-P energy: -59.439 bonds (distance) P-C4' energy: -53.218 flat angles C4'-P-C4' energy: -53.141 flat angles P-C4'-P energy: -39.588 tors. eta vs tors. theta energy: -17.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -361.866033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.866033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.866033 (E_RNA) where: Base-Base interactions energy: -187.801 where: short stacking energy: -105.528 Base-Backbone interact. energy: -2.058 local terms energy: -172.007119 where: bonds (distance) C4'-P energy: -44.972 bonds (distance) P-C4' energy: -47.997 flat angles C4'-P-C4' energy: -43.407 flat angles P-C4'-P energy: -25.994 tors. eta vs tors. theta energy: -9.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1189.036687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.036687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.036687 (E_RNA) where: Base-Base interactions energy: -832.566 where: short stacking energy: -345.598 Base-Backbone interact. energy: -0.252 local terms energy: -356.219335 where: bonds (distance) C4'-P energy: -60.296 bonds (distance) P-C4' energy: -65.884 flat angles C4'-P-C4' energy: -74.097 flat angles P-C4'-P energy: -51.494 tors. eta vs tors. theta energy: -104.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1120.847821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.847821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.847821 (E_RNA) where: Base-Base interactions energy: -788.286 where: short stacking energy: -321.776 Base-Backbone interact. energy: -1.135 local terms energy: -331.426742 where: bonds (distance) C4'-P energy: -67.158 bonds (distance) P-C4' energy: -61.545 flat angles C4'-P-C4' energy: -66.805 flat angles P-C4'-P energy: -43.522 tors. eta vs tors. theta energy: -92.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1039.230196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.230196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.230196 (E_RNA) where: Base-Base interactions energy: -717.868 where: short stacking energy: -313.026 Base-Backbone interact. energy: -1.348 local terms energy: -320.014376 where: bonds (distance) C4'-P energy: -52.852 bonds (distance) P-C4' energy: -69.408 flat angles C4'-P-C4' energy: -66.028 flat angles P-C4'-P energy: -41.883 tors. eta vs tors. theta energy: -89.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1033.703949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.703949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.703949 (E_RNA) where: Base-Base interactions energy: -692.655 where: short stacking energy: -301.961 Base-Backbone interact. energy: -1.918 local terms energy: -339.130153 where: bonds (distance) C4'-P energy: -62.740 bonds (distance) P-C4' energy: -71.276 flat angles C4'-P-C4' energy: -63.936 flat angles P-C4'-P energy: -46.425 tors. eta vs tors. theta energy: -94.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -932.877404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.877404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.877404 (E_RNA) where: Base-Base interactions energy: -642.783 where: short stacking energy: -281.998 Base-Backbone interact. energy: 1.218 local terms energy: -291.313350 where: bonds (distance) C4'-P energy: -46.898 bonds (distance) P-C4' energy: -67.476 flat angles C4'-P-C4' energy: -69.394 flat angles P-C4'-P energy: -29.301 tors. eta vs tors. theta energy: -78.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -900.668169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.668169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.668169 (E_RNA) where: Base-Base interactions energy: -602.281 where: short stacking energy: -233.109 Base-Backbone interact. energy: -2.211 local terms energy: -296.176869 where: bonds (distance) C4'-P energy: -53.720 bonds (distance) P-C4' energy: -61.082 flat angles C4'-P-C4' energy: -74.318 flat angles P-C4'-P energy: -44.206 tors. eta vs tors. theta energy: -62.851 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: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -808.485338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.485338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.485338 (E_RNA) where: Base-Base interactions energy: -555.198 where: short stacking energy: -236.758 Base-Backbone interact. energy: 2.539 local terms energy: -255.825798 where: bonds (distance) C4'-P energy: -49.704 bonds (distance) P-C4' energy: -62.823 flat angles C4'-P-C4' energy: -57.645 flat angles P-C4'-P energy: -31.424 tors. eta vs tors. theta energy: -54.230 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: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -702.700761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.700761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.700761 (E_RNA) where: Base-Base interactions energy: -453.115 where: short stacking energy: -191.021 Base-Backbone interact. energy: -0.150 local terms energy: -249.436560 where: bonds (distance) C4'-P energy: -52.653 bonds (distance) P-C4' energy: -49.703 flat angles C4'-P-C4' energy: -60.195 flat angles P-C4'-P energy: -42.344 tors. eta vs tors. theta energy: -44.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -622.236328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.236328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.236328 (E_RNA) where: Base-Base interactions energy: -387.577 where: short stacking energy: -169.785 Base-Backbone interact. energy: -1.087 local terms energy: -233.572300 where: bonds (distance) C4'-P energy: -42.068 bonds (distance) P-C4' energy: -60.211 flat angles C4'-P-C4' energy: -59.969 flat angles P-C4'-P energy: -40.679 tors. eta vs tors. theta energy: -30.646 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: 7 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -378.396145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.396145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.396145 (E_RNA) where: Base-Base interactions energy: -192.634 where: short stacking energy: -115.365 Base-Backbone interact. energy: 3.657 local terms energy: -189.419636 where: bonds (distance) C4'-P energy: -49.274 bonds (distance) P-C4' energy: -51.742 flat angles C4'-P-C4' energy: -45.337 flat angles P-C4'-P energy: -36.657 tors. eta vs tors. theta energy: -6.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1201.883137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.883137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.883137 (E_RNA) where: Base-Base interactions energy: -829.660 where: short stacking energy: -364.700 Base-Backbone interact. energy: -2.809 local terms energy: -369.413888 where: bonds (distance) C4'-P energy: -68.529 bonds (distance) P-C4' energy: -65.294 flat angles C4'-P-C4' energy: -70.645 flat angles P-C4'-P energy: -54.232 tors. eta vs tors. theta energy: -110.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1116.254812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.254812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.254812 (E_RNA) where: Base-Base interactions energy: -783.776 where: short stacking energy: -320.714 Base-Backbone interact. energy: -0.727 local terms energy: -331.751693 where: bonds (distance) C4'-P energy: -58.719 bonds (distance) P-C4' energy: -65.372 flat angles C4'-P-C4' energy: -74.264 flat angles P-C4'-P energy: -47.281 tors. eta vs tors. theta energy: -86.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1026.260073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.260073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.260073 (E_RNA) where: Base-Base interactions energy: -703.352 where: short stacking energy: -301.311 Base-Backbone interact. energy: -1.296 local terms energy: -321.611431 where: bonds (distance) C4'-P energy: -53.779 bonds (distance) P-C4' energy: -60.002 flat angles C4'-P-C4' energy: -72.947 flat angles P-C4'-P energy: -48.986 tors. eta vs tors. theta energy: -85.898 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: 4, replica: 3 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1041.480613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.480613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.480613 (E_RNA) where: Base-Base interactions energy: -719.355 where: short stacking energy: -312.446 Base-Backbone interact. energy: -1.250 local terms energy: -320.875131 where: bonds (distance) C4'-P energy: -53.561 bonds (distance) P-C4' energy: -59.246 flat angles C4'-P-C4' energy: -71.539 flat angles P-C4'-P energy: -51.627 tors. eta vs tors. theta energy: -84.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -931.942268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.942268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.942268 (E_RNA) where: Base-Base interactions energy: -641.513 where: short stacking energy: -279.000 Base-Backbone interact. energy: -1.016 local terms energy: -289.413741 where: bonds (distance) C4'-P energy: -59.270 bonds (distance) P-C4' energy: -56.604 flat angles C4'-P-C4' energy: -65.088 flat angles P-C4'-P energy: -31.012 tors. eta vs tors. theta energy: -77.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -875.504854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.504854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.504854 (E_RNA) where: Base-Base interactions energy: -590.781 where: short stacking energy: -251.636 Base-Backbone interact. energy: -1.675 local terms energy: -283.049543 where: bonds (distance) C4'-P energy: -63.765 bonds (distance) P-C4' energy: -60.900 flat angles C4'-P-C4' energy: -55.650 flat angles P-C4'-P energy: -44.292 tors. eta vs tors. theta energy: -58.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -805.802741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.802741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.802741 (E_RNA) where: Base-Base interactions energy: -537.210 where: short stacking energy: -227.073 Base-Backbone interact. energy: -2.199 local terms energy: -266.393028 where: bonds (distance) C4'-P energy: -53.200 bonds (distance) P-C4' energy: -46.559 flat angles C4'-P-C4' energy: -63.051 flat angles P-C4'-P energy: -39.870 tors. eta vs tors. theta energy: -63.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -695.464864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.464864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.464864 (E_RNA) where: Base-Base interactions energy: -430.556 where: short stacking energy: -203.587 Base-Backbone interact. energy: -0.869 local terms energy: -264.039609 where: bonds (distance) C4'-P energy: -60.143 bonds (distance) P-C4' energy: -49.872 flat angles C4'-P-C4' energy: -58.804 flat angles P-C4'-P energy: -44.419 tors. eta vs tors. theta energy: -50.802 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: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -627.263750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.263750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.263750 (E_RNA) where: Base-Base interactions energy: -406.565 where: short stacking energy: -185.050 Base-Backbone interact. energy: 4.894 local terms energy: -225.593176 where: bonds (distance) C4'-P energy: -64.324 bonds (distance) P-C4' energy: -43.769 flat angles C4'-P-C4' energy: -56.603 flat angles P-C4'-P energy: -28.661 tors. eta vs tors. theta energy: -32.237 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: 7 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -372.354001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.354001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.354001 (E_RNA) where: Base-Base interactions energy: -170.202 where: short stacking energy: -107.184 Base-Backbone interact. energy: -1.390 local terms energy: -200.761609 where: bonds (distance) C4'-P energy: -52.064 bonds (distance) P-C4' energy: -58.309 flat angles C4'-P-C4' energy: -48.308 flat angles P-C4'-P energy: -33.794 tors. eta vs tors. theta energy: -8.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1190.406535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.406535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.406535 (E_RNA) where: Base-Base interactions energy: -837.124 where: short stacking energy: -353.217 Base-Backbone interact. energy: -5.534 local terms energy: -347.748680 where: bonds (distance) C4'-P energy: -57.902 bonds (distance) P-C4' energy: -66.583 flat angles C4'-P-C4' energy: -69.299 flat angles P-C4'-P energy: -50.510 tors. eta vs tors. theta energy: -103.454 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: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1125.374144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.374144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.374144 (E_RNA) where: Base-Base interactions energy: -781.537 where: short stacking energy: -346.290 Base-Backbone interact. energy: -1.398 local terms energy: -342.439231 where: bonds (distance) C4'-P energy: -65.961 bonds (distance) P-C4' energy: -58.070 flat angles C4'-P-C4' energy: -78.002 flat angles P-C4'-P energy: -43.689 tors. eta vs tors. theta energy: -96.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1057.034471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.034471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.034471 (E_RNA) where: Base-Base interactions energy: -740.653 where: short stacking energy: -310.778 Base-Backbone interact. energy: -2.562 local terms energy: -313.819435 where: bonds (distance) C4'-P energy: -60.660 bonds (distance) P-C4' energy: -54.799 flat angles C4'-P-C4' energy: -65.471 flat angles P-C4'-P energy: -38.541 tors. eta vs tors. theta energy: -94.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1026.504964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.504964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.504964 (E_RNA) where: Base-Base interactions energy: -708.244 where: short stacking energy: -300.728 Base-Backbone interact. energy: -0.269 local terms energy: -317.992331 where: bonds (distance) C4'-P energy: -67.118 bonds (distance) P-C4' energy: -60.527 flat angles C4'-P-C4' energy: -61.061 flat angles P-C4'-P energy: -46.835 tors. eta vs tors. theta energy: -82.451 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: 5, replica: 5 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -914.793101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.793101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.793101 (E_RNA) where: Base-Base interactions energy: -637.624 where: short stacking energy: -276.645 Base-Backbone interact. energy: 3.715 local terms energy: -280.884469 where: bonds (distance) C4'-P energy: -47.156 bonds (distance) P-C4' energy: -60.036 flat angles C4'-P-C4' energy: -60.687 flat angles P-C4'-P energy: -40.859 tors. eta vs tors. theta energy: -72.147 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: 4 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -812.275137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.275137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.275137 (E_RNA) where: Base-Base interactions energy: -540.923 where: short stacking energy: -244.032 Base-Backbone interact. energy: -0.577 local terms energy: -270.775412 where: bonds (distance) C4'-P energy: -65.341 bonds (distance) P-C4' energy: -54.297 flat angles C4'-P-C4' energy: -61.411 flat angles P-C4'-P energy: -35.117 tors. eta vs tors. theta energy: -54.610 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: 172 Temperature: 1.200000 Total energy: -801.803803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.803803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.803803 (E_RNA) where: Base-Base interactions energy: -528.964 where: short stacking energy: -230.521 Base-Backbone interact. energy: -0.592 local terms energy: -272.247444 where: bonds (distance) C4'-P energy: -53.526 bonds (distance) P-C4' energy: -67.666 flat angles C4'-P-C4' energy: -62.640 flat angles P-C4'-P energy: -32.723 tors. eta vs tors. theta energy: -55.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -677.974643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.974643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.974643 (E_RNA) where: Base-Base interactions energy: -446.877 where: short stacking energy: -211.631 Base-Backbone interact. energy: 1.987 local terms energy: -233.085009 where: bonds (distance) C4'-P energy: -53.234 bonds (distance) P-C4' energy: -55.370 flat angles C4'-P-C4' energy: -56.968 flat angles P-C4'-P energy: -20.114 tors. eta vs tors. theta energy: -47.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -609.030025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.030025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.030025 (E_RNA) where: Base-Base interactions energy: -376.747 where: short stacking energy: -168.867 Base-Backbone interact. energy: 1.212 local terms energy: -233.495002 where: bonds (distance) C4'-P energy: -55.603 bonds (distance) P-C4' energy: -63.670 flat angles C4'-P-C4' energy: -50.141 flat angles P-C4'-P energy: -38.914 tors. eta vs tors. theta energy: -25.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -379.660345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.660345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.660345 (E_RNA) where: Base-Base interactions energy: -200.962 where: short stacking energy: -110.271 Base-Backbone interact. energy: 0.282 local terms energy: -178.979486 where: bonds (distance) C4'-P energy: -50.038 bonds (distance) P-C4' energy: -56.018 flat angles C4'-P-C4' energy: -45.381 flat angles P-C4'-P energy: -22.763 tors. eta vs tors. theta energy: -4.780 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: 8 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1205.272330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.272330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.272330 (E_RNA) where: Base-Base interactions energy: -840.503 where: short stacking energy: -348.247 Base-Backbone interact. energy: -2.359 local terms energy: -362.410007 where: bonds (distance) C4'-P energy: -66.945 bonds (distance) P-C4' energy: -66.466 flat angles C4'-P-C4' energy: -79.692 flat angles P-C4'-P energy: -48.630 tors. eta vs tors. theta energy: -100.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1122.178720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.178720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.178720 (E_RNA) where: Base-Base interactions energy: -780.078 where: short stacking energy: -330.381 Base-Backbone interact. energy: -1.232 local terms energy: -340.869117 where: bonds (distance) C4'-P energy: -66.324 bonds (distance) P-C4' energy: -51.336 flat angles C4'-P-C4' energy: -78.439 flat angles P-C4'-P energy: -47.519 tors. eta vs tors. theta energy: -97.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1066.067829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.067829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.067829 (E_RNA) where: Base-Base interactions energy: -737.970 where: short stacking energy: -323.837 Base-Backbone interact. energy: -2.689 local terms energy: -325.408911 where: bonds (distance) C4'-P energy: -54.219 bonds (distance) P-C4' energy: -66.325 flat angles C4'-P-C4' energy: -65.226 flat angles P-C4'-P energy: -49.391 tors. eta vs tors. theta energy: -90.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1027.841194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.841194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.841194 (E_RNA) where: Base-Base interactions energy: -712.488 where: short stacking energy: -304.302 Base-Backbone interact. energy: -2.035 local terms energy: -313.318510 where: bonds (distance) C4'-P energy: -52.092 bonds (distance) P-C4' energy: -62.230 flat angles C4'-P-C4' energy: -71.453 flat angles P-C4'-P energy: -40.612 tors. eta vs tors. theta energy: -86.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -924.065913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.065913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.065913 (E_RNA) where: Base-Base interactions energy: -612.381 where: short stacking energy: -268.043 Base-Backbone interact. energy: 1.195 local terms energy: -312.879093 where: bonds (distance) C4'-P energy: -43.728 bonds (distance) P-C4' energy: -67.163 flat angles C4'-P-C4' energy: -67.312 flat angles P-C4'-P energy: -56.603 tors. eta vs tors. theta energy: -78.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -836.442038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.442038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.442038 (E_RNA) where: Base-Base interactions energy: -542.545 where: short stacking energy: -237.353 Base-Backbone interact. energy: -2.257 local terms energy: -291.640175 where: bonds (distance) C4'-P energy: -58.320 bonds (distance) P-C4' energy: -61.983 flat angles C4'-P-C4' energy: -68.545 flat angles P-C4'-P energy: -40.636 tors. eta vs tors. theta energy: -62.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -774.098230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.098230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.098230 (E_RNA) where: Base-Base interactions energy: -526.694 where: short stacking energy: -222.796 Base-Backbone interact. energy: 2.383 local terms energy: -249.787752 where: bonds (distance) C4'-P energy: -52.410 bonds (distance) P-C4' energy: -71.221 flat angles C4'-P-C4' energy: -55.962 flat angles P-C4'-P energy: -20.153 tors. eta vs tors. theta energy: -50.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -746.623566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.623566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.623566 (E_RNA) where: Base-Base interactions energy: -479.021 where: short stacking energy: -211.720 Base-Backbone interact. energy: -0.446 local terms energy: -267.156122 where: bonds (distance) C4'-P energy: -58.225 bonds (distance) P-C4' energy: -59.167 flat angles C4'-P-C4' energy: -63.468 flat angles P-C4'-P energy: -31.476 tors. eta vs tors. theta energy: -54.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -616.684888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.684888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.684888 (E_RNA) where: Base-Base interactions energy: -425.223 where: short stacking energy: -194.553 Base-Backbone interact. energy: 0.893 local terms energy: -192.354972 where: bonds (distance) C4'-P energy: -45.314 bonds (distance) P-C4' energy: -46.795 flat angles C4'-P-C4' energy: -49.173 flat angles P-C4'-P energy: -25.695 tors. eta vs tors. theta energy: -25.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -430.495296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.495296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.495296 (E_RNA) where: Base-Base interactions energy: -244.592 where: short stacking energy: -132.840 Base-Backbone interact. energy: -1.284 local terms energy: -184.619721 where: bonds (distance) C4'-P energy: -61.775 bonds (distance) P-C4' energy: -55.520 flat angles C4'-P-C4' energy: -38.505 flat angles P-C4'-P energy: -27.948 tors. eta vs tors. theta energy: -0.872 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: 8 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1228.765232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.765232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.765232 (E_RNA) where: Base-Base interactions energy: -864.821 where: short stacking energy: -366.608 Base-Backbone interact. energy: -1.734 local terms energy: -362.210763 where: bonds (distance) C4'-P energy: -56.439 bonds (distance) P-C4' energy: -64.536 flat angles C4'-P-C4' energy: -76.989 flat angles P-C4'-P energy: -57.437 tors. eta vs tors. theta energy: -106.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1112.319286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.319286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.319286 (E_RNA) where: Base-Base interactions energy: -756.620 where: short stacking energy: -336.009 Base-Backbone interact. energy: -0.547 local terms energy: -355.152332 where: bonds (distance) C4'-P energy: -71.369 bonds (distance) P-C4' energy: -63.583 flat angles C4'-P-C4' energy: -68.583 flat angles P-C4'-P energy: -52.701 tors. eta vs tors. theta energy: -98.916 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: 6 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1051.679860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.679860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.679860 (E_RNA) where: Base-Base interactions energy: -714.930 where: short stacking energy: -315.695 Base-Backbone interact. energy: -1.585 local terms energy: -335.164273 where: bonds (distance) C4'-P energy: -58.300 bonds (distance) P-C4' energy: -64.451 flat angles C4'-P-C4' energy: -71.073 flat angles P-C4'-P energy: -51.307 tors. eta vs tors. theta energy: -90.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1037.859366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.859366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.859366 (E_RNA) where: Base-Base interactions energy: -713.559 where: short stacking energy: -317.010 Base-Backbone interact. energy: -1.757 local terms energy: -322.543865 where: bonds (distance) C4'-P energy: -45.244 bonds (distance) P-C4' energy: -67.024 flat angles C4'-P-C4' energy: -69.085 flat angles P-C4'-P energy: -48.145 tors. eta vs tors. theta energy: -93.044 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: 174 Temperature: 1.100000 Total energy: -927.071188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.071188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.071188 (E_RNA) where: Base-Base interactions energy: -629.365 where: short stacking energy: -279.495 Base-Backbone interact. energy: 5.715 local terms energy: -303.421425 where: bonds (distance) C4'-P energy: -50.754 bonds (distance) P-C4' energy: -61.285 flat angles C4'-P-C4' energy: -69.208 flat angles P-C4'-P energy: -52.263 tors. eta vs tors. theta energy: -69.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -827.768688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.768688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.768688 (E_RNA) where: Base-Base interactions energy: -550.668 where: short stacking energy: -241.504 Base-Backbone interact. energy: -1.081 local terms energy: -276.019260 where: bonds (distance) C4'-P energy: -60.880 bonds (distance) P-C4' energy: -53.069 flat angles C4'-P-C4' energy: -59.167 flat angles P-C4'-P energy: -44.807 tors. eta vs tors. theta energy: -58.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -788.956465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.956465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.956465 (E_RNA) where: Base-Base interactions energy: -518.225 where: short stacking energy: -216.766 Base-Backbone interact. energy: 0.174 local terms energy: -270.905568 where: bonds (distance) C4'-P energy: -51.661 bonds (distance) P-C4' energy: -59.655 flat angles C4'-P-C4' energy: -64.033 flat angles P-C4'-P energy: -33.577 tors. eta vs tors. theta energy: -61.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -739.490687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.490687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.490687 (E_RNA) where: Base-Base interactions energy: -494.589 where: short stacking energy: -205.339 Base-Backbone interact. energy: -0.579 local terms energy: -244.322749 where: bonds (distance) C4'-P energy: -54.506 bonds (distance) P-C4' energy: -56.895 flat angles C4'-P-C4' energy: -55.253 flat angles P-C4'-P energy: -40.474 tors. eta vs tors. theta energy: -37.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -623.774122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.774122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.774122 (E_RNA) where: Base-Base interactions energy: -409.641 where: short stacking energy: -189.515 Base-Backbone interact. energy: 0.327 local terms energy: -214.459249 where: bonds (distance) C4'-P energy: -44.826 bonds (distance) P-C4' energy: -48.704 flat angles C4'-P-C4' energy: -67.309 flat angles P-C4'-P energy: -13.698 tors. eta vs tors. theta energy: -39.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -448.845003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.845003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.845003 (E_RNA) where: Base-Base interactions energy: -239.639 where: short stacking energy: -133.989 Base-Backbone interact. energy: -0.673 local terms energy: -208.533168 where: bonds (distance) C4'-P energy: -53.967 bonds (distance) P-C4' energy: -60.696 flat angles C4'-P-C4' energy: -55.737 flat angles P-C4'-P energy: -27.493 tors. eta vs tors. theta energy: -10.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1185.913998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.913998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.913998 (E_RNA) where: Base-Base interactions energy: -823.920 where: short stacking energy: -359.270 Base-Backbone interact. energy: -2.370 local terms energy: -359.623656 where: bonds (distance) C4'-P energy: -63.130 bonds (distance) P-C4' energy: -60.980 flat angles C4'-P-C4' energy: -76.426 flat angles P-C4'-P energy: -53.019 tors. eta vs tors. theta energy: -106.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1096.920037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.920037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.920037 (E_RNA) where: Base-Base interactions energy: -749.368 where: short stacking energy: -325.638 Base-Backbone interact. energy: -1.353 local terms energy: -346.199086 where: bonds (distance) C4'-P energy: -63.648 bonds (distance) P-C4' energy: -69.115 flat angles C4'-P-C4' energy: -72.806 flat angles P-C4'-P energy: -46.859 tors. eta vs tors. theta energy: -93.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1051.000771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.000771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.000771 (E_RNA) where: Base-Base interactions energy: -720.667 where: short stacking energy: -308.064 Base-Backbone interact. energy: -2.058 local terms energy: -328.275471 where: bonds (distance) C4'-P energy: -65.153 bonds (distance) P-C4' energy: -60.060 flat angles C4'-P-C4' energy: -69.716 flat angles P-C4'-P energy: -47.471 tors. eta vs tors. theta energy: -85.875 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: 175 Temperature: 1.050000 Total energy: -1034.435145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.435145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.435145 (E_RNA) where: Base-Base interactions energy: -715.341 where: short stacking energy: -311.017 Base-Backbone interact. energy: -1.657 local terms energy: -317.437680 where: bonds (distance) C4'-P energy: -61.193 bonds (distance) P-C4' energy: -58.894 flat angles C4'-P-C4' energy: -64.352 flat angles P-C4'-P energy: -38.836 tors. eta vs tors. theta energy: -94.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -923.726684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.726684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.726684 (E_RNA) where: Base-Base interactions energy: -643.434 where: short stacking energy: -274.790 Base-Backbone interact. energy: 0.671 local terms energy: -280.963830 where: bonds (distance) C4'-P energy: -60.618 bonds (distance) P-C4' energy: -54.215 flat angles C4'-P-C4' energy: -61.089 flat angles P-C4'-P energy: -35.123 tors. eta vs tors. theta energy: -69.918 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: 175 Temperature: 1.150000 Total energy: -825.456864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.456864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.456864 (E_RNA) where: Base-Base interactions energy: -559.246 where: short stacking energy: -256.964 Base-Backbone interact. energy: 1.533 local terms energy: -267.744215 where: bonds (distance) C4'-P energy: -56.792 bonds (distance) P-C4' energy: -54.757 flat angles C4'-P-C4' energy: -64.304 flat angles P-C4'-P energy: -31.925 tors. eta vs tors. theta energy: -59.965 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: 7, replica: 2 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -789.295258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.295258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.295258 (E_RNA) where: Base-Base interactions energy: -518.146 where: short stacking energy: -236.932 Base-Backbone interact. energy: -1.680 local terms energy: -269.468702 where: bonds (distance) C4'-P energy: -52.832 bonds (distance) P-C4' energy: -51.609 flat angles C4'-P-C4' energy: -57.665 flat angles P-C4'-P energy: -46.488 tors. eta vs tors. theta energy: -60.875 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: 175 Temperature: 1.250000 Total energy: -682.832755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.832755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.832755 (E_RNA) where: Base-Base interactions energy: -442.530 where: short stacking energy: -189.903 Base-Backbone interact. energy: 2.343 local terms energy: -242.645473 where: bonds (distance) C4'-P energy: -67.053 bonds (distance) P-C4' energy: -52.587 flat angles C4'-P-C4' energy: -53.370 flat angles P-C4'-P energy: -36.690 tors. eta vs tors. theta energy: -32.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -600.625244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.625244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.625244 (E_RNA) where: Base-Base interactions energy: -394.132 where: short stacking energy: -149.160 Base-Backbone interact. energy: -1.372 local terms energy: -205.120837 where: bonds (distance) C4'-P energy: -57.081 bonds (distance) P-C4' energy: -56.074 flat angles C4'-P-C4' energy: -48.816 flat angles P-C4'-P energy: -21.239 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: 10, replica: 7 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -446.124044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.124044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.124044 (E_RNA) where: Base-Base interactions energy: -257.710 where: short stacking energy: -140.525 Base-Backbone interact. energy: -0.760 local terms energy: -187.654105 where: bonds (distance) C4'-P energy: -59.059 bonds (distance) P-C4' energy: -42.364 flat angles C4'-P-C4' energy: -48.170 flat angles P-C4'-P energy: -32.645 tors. eta vs tors. theta energy: -5.416 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: 8 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1180.441362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.441362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.441362 (E_RNA) where: Base-Base interactions energy: -815.209 where: short stacking energy: -349.479 Base-Backbone interact. energy: -1.226 local terms energy: -364.005716 where: bonds (distance) C4'-P energy: -61.946 bonds (distance) P-C4' energy: -63.567 flat angles C4'-P-C4' energy: -76.820 flat angles P-C4'-P energy: -57.610 tors. eta vs tors. theta energy: -104.064 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: 2, replica: 10 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1088.142463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.142463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.142463 (E_RNA) where: Base-Base interactions energy: -759.892 where: short stacking energy: -327.379 Base-Backbone interact. energy: 0.113 local terms energy: -328.363413 where: bonds (distance) C4'-P energy: -65.785 bonds (distance) P-C4' energy: -60.945 flat angles C4'-P-C4' energy: -71.137 flat angles P-C4'-P energy: -37.573 tors. eta vs tors. theta energy: -92.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1060.540078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.540078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.540078 (E_RNA) where: Base-Base interactions energy: -731.869 where: short stacking energy: -331.077 Base-Backbone interact. energy: -3.724 local terms energy: -324.947136 where: bonds (distance) C4'-P energy: -55.627 bonds (distance) P-C4' energy: -54.182 flat angles C4'-P-C4' energy: -68.250 flat angles P-C4'-P energy: -52.835 tors. eta vs tors. theta energy: -94.053 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: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1007.846487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.846487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.846487 (E_RNA) where: Base-Base interactions energy: -669.071 where: short stacking energy: -289.092 Base-Backbone interact. energy: 0.135 local terms energy: -338.910409 where: bonds (distance) C4'-P energy: -65.327 bonds (distance) P-C4' energy: -70.777 flat angles C4'-P-C4' energy: -64.095 flat angles P-C4'-P energy: -48.414 tors. eta vs tors. theta energy: -90.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -918.397301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.397301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.397301 (E_RNA) where: Base-Base interactions energy: -619.555 where: short stacking energy: -288.076 Base-Backbone interact. energy: -2.613 local terms energy: -296.228845 where: bonds (distance) C4'-P energy: -50.215 bonds (distance) P-C4' energy: -65.623 flat angles C4'-P-C4' energy: -60.784 flat angles P-C4'-P energy: -36.805 tors. eta vs tors. theta energy: -82.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -837.809329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.809329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.809329 (E_RNA) where: Base-Base interactions energy: -561.733 where: short stacking energy: -257.313 Base-Backbone interact. energy: -0.114 local terms energy: -275.962177 where: bonds (distance) C4'-P energy: -45.479 bonds (distance) P-C4' energy: -53.314 flat angles C4'-P-C4' energy: -62.145 flat angles P-C4'-P energy: -51.693 tors. eta vs tors. theta energy: -63.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -772.502660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.502660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.502660 (E_RNA) where: Base-Base interactions energy: -507.731 where: short stacking energy: -249.702 Base-Backbone interact. energy: -1.191 local terms energy: -263.580519 where: bonds (distance) C4'-P energy: -55.377 bonds (distance) P-C4' energy: -50.576 flat angles C4'-P-C4' energy: -58.527 flat angles P-C4'-P energy: -42.505 tors. eta vs tors. theta energy: -56.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -704.653905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.653905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.653905 (E_RNA) where: Base-Base interactions energy: -464.924 where: short stacking energy: -208.756 Base-Backbone interact. energy: -0.841 local terms energy: -238.888984 where: bonds (distance) C4'-P energy: -43.041 bonds (distance) P-C4' energy: -60.148 flat angles C4'-P-C4' energy: -67.971 flat angles P-C4'-P energy: -31.356 tors. eta vs tors. theta energy: -36.372 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: 1 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -597.365536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.365536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.365536 (E_RNA) where: Base-Base interactions energy: -380.669 where: short stacking energy: -169.990 Base-Backbone interact. energy: -2.153 local terms energy: -214.543107 where: bonds (distance) C4'-P energy: -51.917 bonds (distance) P-C4' energy: -49.737 flat angles C4'-P-C4' energy: -56.039 flat angles P-C4'-P energy: -35.350 tors. eta vs tors. theta energy: -21.500 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: 10, replica: 7 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -448.345822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.345822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.345822 (E_RNA) where: Base-Base interactions energy: -246.280 where: short stacking energy: -124.292 Base-Backbone interact. energy: 0.033 local terms energy: -202.098733 where: bonds (distance) C4'-P energy: -48.667 bonds (distance) P-C4' energy: -56.700 flat angles C4'-P-C4' energy: -58.640 flat angles P-C4'-P energy: -22.204 tors. eta vs tors. theta energy: -15.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1188.360507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.360507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.360507 (E_RNA) where: Base-Base interactions energy: -826.401 where: short stacking energy: -351.789 Base-Backbone interact. energy: -1.248 local terms energy: -360.711901 where: bonds (distance) C4'-P energy: -63.215 bonds (distance) P-C4' energy: -67.491 flat angles C4'-P-C4' energy: -77.765 flat angles P-C4'-P energy: -52.658 tors. eta vs tors. theta energy: -99.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1102.390722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.390722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.390722 (E_RNA) where: Base-Base interactions energy: -766.821 where: short stacking energy: -334.100 Base-Backbone interact. energy: -1.228 local terms energy: -334.341889 where: bonds (distance) C4'-P energy: -59.678 bonds (distance) P-C4' energy: -61.630 flat angles C4'-P-C4' energy: -67.948 flat angles P-C4'-P energy: -50.500 tors. eta vs tors. theta energy: -94.585 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: 3 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1061.169753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.169753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.169753 (E_RNA) where: Base-Base interactions energy: -735.958 where: short stacking energy: -313.243 Base-Backbone interact. energy: 0.378 local terms energy: -325.589600 where: bonds (distance) C4'-P energy: -61.573 bonds (distance) P-C4' energy: -61.777 flat angles C4'-P-C4' energy: -67.476 flat angles P-C4'-P energy: -37.801 tors. eta vs tors. theta energy: -96.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -993.798385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.798385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.798385 (E_RNA) where: Base-Base interactions energy: -681.471 where: short stacking energy: -271.753 Base-Backbone interact. energy: -0.490 local terms energy: -311.837757 where: bonds (distance) C4'-P energy: -63.799 bonds (distance) P-C4' energy: -60.148 flat angles C4'-P-C4' energy: -67.061 flat angles P-C4'-P energy: -46.296 tors. eta vs tors. theta energy: -74.533 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: 5, replica: 5 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -906.523756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.523756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.523756 (E_RNA) where: Base-Base interactions energy: -619.046 where: short stacking energy: -277.876 Base-Backbone interact. energy: -1.693 local terms energy: -285.784506 where: bonds (distance) C4'-P energy: -53.478 bonds (distance) P-C4' energy: -52.791 flat angles C4'-P-C4' energy: -61.531 flat angles P-C4'-P energy: -50.950 tors. eta vs tors. theta energy: -67.035 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: 9 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -855.887410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.887410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.887410 (E_RNA) where: Base-Base interactions energy: -563.518 where: short stacking energy: -259.964 Base-Backbone interact. energy: -2.600 local terms energy: -289.768883 where: bonds (distance) C4'-P energy: -48.720 bonds (distance) P-C4' energy: -61.549 flat angles C4'-P-C4' energy: -70.982 flat angles P-C4'-P energy: -42.737 tors. eta vs tors. theta energy: -65.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -760.568518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.568518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.568518 (E_RNA) where: Base-Base interactions energy: -492.780 where: short stacking energy: -237.695 Base-Backbone interact. energy: 0.159 local terms energy: -267.948077 where: bonds (distance) C4'-P energy: -40.009 bonds (distance) P-C4' energy: -58.898 flat angles C4'-P-C4' energy: -65.921 flat angles P-C4'-P energy: -44.897 tors. eta vs tors. theta energy: -58.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -710.376486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.376486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.376486 (E_RNA) where: Base-Base interactions energy: -439.423 where: short stacking energy: -193.131 Base-Backbone interact. energy: -0.245 local terms energy: -270.708716 where: bonds (distance) C4'-P energy: -56.746 bonds (distance) P-C4' energy: -67.014 flat angles C4'-P-C4' energy: -59.238 flat angles P-C4'-P energy: -51.719 tors. eta vs tors. theta energy: -35.992 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: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -591.921839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.921839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.921839 (E_RNA) where: Base-Base interactions energy: -391.567 where: short stacking energy: -178.954 Base-Backbone interact. energy: -0.931 local terms energy: -199.423920 where: bonds (distance) C4'-P energy: -44.707 bonds (distance) P-C4' energy: -46.350 flat angles C4'-P-C4' energy: -48.362 flat angles P-C4'-P energy: -31.425 tors. eta vs tors. theta energy: -28.580 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: 177 Temperature: 1.350000 Total energy: -454.242283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.242283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.242283 (E_RNA) where: Base-Base interactions energy: -243.979 where: short stacking energy: -131.004 Base-Backbone interact. energy: 1.596 local terms energy: -211.859231 where: bonds (distance) C4'-P energy: -51.817 bonds (distance) P-C4' energy: -55.826 flat angles C4'-P-C4' energy: -46.949 flat angles P-C4'-P energy: -23.613 tors. eta vs tors. theta energy: -33.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1174.892228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.892228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.892228 (E_RNA) where: Base-Base interactions energy: -824.392 where: short stacking energy: -350.120 Base-Backbone interact. energy: -2.079 local terms energy: -348.421409 where: bonds (distance) C4'-P energy: -68.767 bonds (distance) P-C4' energy: -61.369 flat angles C4'-P-C4' energy: -68.211 flat angles P-C4'-P energy: -48.281 tors. eta vs tors. theta energy: -101.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1107.342551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.342551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.342551 (E_RNA) where: Base-Base interactions energy: -762.124 where: short stacking energy: -323.993 Base-Backbone interact. energy: -2.055 local terms energy: -343.163593 where: bonds (distance) C4'-P energy: -66.967 bonds (distance) P-C4' energy: -70.973 flat angles C4'-P-C4' energy: -68.139 flat angles P-C4'-P energy: -44.377 tors. eta vs tors. theta energy: -92.707 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: 6 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1022.259666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.259666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.259666 (E_RNA) where: Base-Base interactions energy: -701.821 where: short stacking energy: -288.898 Base-Backbone interact. energy: -1.352 local terms energy: -319.086799 where: bonds (distance) C4'-P energy: -61.958 bonds (distance) P-C4' energy: -63.682 flat angles C4'-P-C4' energy: -69.901 flat angles P-C4'-P energy: -42.176 tors. eta vs tors. theta energy: -81.370 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: 178 Temperature: 1.050000 Total energy: -1015.699839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.699839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.699839 (E_RNA) where: Base-Base interactions energy: -693.966 where: short stacking energy: -307.555 Base-Backbone interact. energy: 1.622 local terms energy: -323.354925 where: bonds (distance) C4'-P energy: -57.213 bonds (distance) P-C4' energy: -65.162 flat angles C4'-P-C4' energy: -67.773 flat angles P-C4'-P energy: -38.262 tors. eta vs tors. theta energy: -94.945 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: 5, replica: 5 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -934.610672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.610672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.610672 (E_RNA) where: Base-Base interactions energy: -626.823 where: short stacking energy: -283.709 Base-Backbone interact. energy: 0.288 local terms energy: -308.075039 where: bonds (distance) C4'-P energy: -64.979 bonds (distance) P-C4' energy: -61.397 flat angles C4'-P-C4' energy: -65.661 flat angles P-C4'-P energy: -41.649 tors. eta vs tors. theta energy: -74.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -855.399603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.399603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.399603 (E_RNA) where: Base-Base interactions energy: -585.618 where: short stacking energy: -246.748 Base-Backbone interact. energy: -1.264 local terms energy: -268.517986 where: bonds (distance) C4'-P energy: -55.640 bonds (distance) P-C4' energy: -48.610 flat angles C4'-P-C4' energy: -60.042 flat angles P-C4'-P energy: -35.123 tors. eta vs tors. theta energy: -69.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -763.771574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.771574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.771574 (E_RNA) where: Base-Base interactions energy: -504.281 where: short stacking energy: -230.277 Base-Backbone interact. energy: -1.150 local terms energy: -258.340225 where: bonds (distance) C4'-P energy: -49.985 bonds (distance) P-C4' energy: -51.867 flat angles C4'-P-C4' energy: -60.424 flat angles P-C4'-P energy: -32.034 tors. eta vs tors. theta energy: -64.031 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: 8, replica: 4 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -700.079481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.079481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.079481 (E_RNA) where: Base-Base interactions energy: -469.636 where: short stacking energy: -177.113 Base-Backbone interact. energy: 0.620 local terms energy: -231.063234 where: bonds (distance) C4'-P energy: -47.535 bonds (distance) P-C4' energy: -53.989 flat angles C4'-P-C4' energy: -56.725 flat angles P-C4'-P energy: -32.074 tors. eta vs tors. theta energy: -40.740 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: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -607.552183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.552183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.552183 (E_RNA) where: Base-Base interactions energy: -372.025 where: short stacking energy: -173.238 Base-Backbone interact. energy: -1.581 local terms energy: -233.946691 where: bonds (distance) C4'-P energy: -49.430 bonds (distance) P-C4' energy: -57.606 flat angles C4'-P-C4' energy: -51.333 flat angles P-C4'-P energy: -44.492 tors. eta vs tors. theta energy: -31.086 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: 178 Temperature: 1.350000 Total energy: -424.730856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.730856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.730856 (E_RNA) where: Base-Base interactions energy: -228.440 where: short stacking energy: -126.106 Base-Backbone interact. energy: -0.094 local terms energy: -196.197086 where: bonds (distance) C4'-P energy: -49.938 bonds (distance) P-C4' energy: -56.938 flat angles C4'-P-C4' energy: -44.146 flat angles P-C4'-P energy: -30.947 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: 1, replica: 8 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1168.116692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.116692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.116692 (E_RNA) where: Base-Base interactions energy: -806.536 where: short stacking energy: -339.177 Base-Backbone interact. energy: -0.750 local terms energy: -360.831134 where: bonds (distance) C4'-P energy: -72.300 bonds (distance) P-C4' energy: -75.499 flat angles C4'-P-C4' energy: -75.052 flat angles P-C4'-P energy: -43.234 tors. eta vs tors. theta energy: -94.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1120.410710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.410710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.410710 (E_RNA) where: Base-Base interactions energy: -786.107 where: short stacking energy: -343.908 Base-Backbone interact. energy: -1.079 local terms energy: -333.224354 where: bonds (distance) C4'-P energy: -70.609 bonds (distance) P-C4' energy: -67.551 flat angles C4'-P-C4' energy: -59.429 flat angles P-C4'-P energy: -39.532 tors. eta vs tors. theta energy: -96.104 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: 6 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1040.626478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.626478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.626478 (E_RNA) where: Base-Base interactions energy: -708.843 where: short stacking energy: -313.375 Base-Backbone interact. energy: 1.193 local terms energy: -332.976391 where: bonds (distance) C4'-P energy: -63.789 bonds (distance) P-C4' energy: -60.312 flat angles C4'-P-C4' energy: -69.237 flat angles P-C4'-P energy: -47.920 tors. eta vs tors. theta energy: -91.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1012.936416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.936416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.936416 (E_RNA) where: Base-Base interactions energy: -697.495 where: short stacking energy: -311.356 Base-Backbone interact. energy: -0.677 local terms energy: -314.764620 where: bonds (distance) C4'-P energy: -51.151 bonds (distance) P-C4' energy: -57.568 flat angles C4'-P-C4' energy: -76.628 flat angles P-C4'-P energy: -34.571 tors. eta vs tors. theta energy: -94.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -946.619211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.619211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.619211 (E_RNA) where: Base-Base interactions energy: -650.018 where: short stacking energy: -285.334 Base-Backbone interact. energy: -1.500 local terms energy: -295.101217 where: bonds (distance) C4'-P energy: -50.525 bonds (distance) P-C4' energy: -62.753 flat angles C4'-P-C4' energy: -65.673 flat angles P-C4'-P energy: -46.033 tors. eta vs tors. theta energy: -70.118 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: 6, replica: 9 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -836.021445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.021445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.021445 (E_RNA) where: Base-Base interactions energy: -547.949 where: short stacking energy: -232.288 Base-Backbone interact. energy: -3.133 local terms energy: -284.938706 where: bonds (distance) C4'-P energy: -53.693 bonds (distance) P-C4' energy: -53.195 flat angles C4'-P-C4' energy: -73.351 flat angles P-C4'-P energy: -44.983 tors. eta vs tors. theta energy: -59.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -678.694968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.694968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.694968 (E_RNA) where: Base-Base interactions energy: -442.036 where: short stacking energy: -220.781 Base-Backbone interact. energy: -0.715 local terms energy: -235.944106 where: bonds (distance) C4'-P energy: -51.288 bonds (distance) P-C4' energy: -47.025 flat angles C4'-P-C4' energy: -58.716 flat angles P-C4'-P energy: -27.363 tors. eta vs tors. theta energy: -51.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -632.324319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.324319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.324319 (E_RNA) where: Base-Base interactions energy: -396.652 where: short stacking energy: -171.791 Base-Backbone interact. energy: -2.648 local terms energy: -233.024583 where: bonds (distance) C4'-P energy: -57.932 bonds (distance) P-C4' energy: -54.022 flat angles C4'-P-C4' energy: -65.548 flat angles P-C4'-P energy: -36.669 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: 9, replica: 4 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -684.484532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.484532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.484532 (E_RNA) where: Base-Base interactions energy: -462.638 where: short stacking energy: -197.315 Base-Backbone interact. energy: 1.996 local terms energy: -223.841729 where: bonds (distance) C4'-P energy: -52.501 bonds (distance) P-C4' energy: -51.537 flat angles C4'-P-C4' energy: -50.652 flat angles P-C4'-P energy: -32.736 tors. eta vs tors. theta energy: -36.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -441.265731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.265731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.265731 (E_RNA) where: Base-Base interactions energy: -252.513 where: short stacking energy: -128.231 Base-Backbone interact. energy: -1.228 local terms energy: -187.524764 where: bonds (distance) C4'-P energy: -54.440 bonds (distance) P-C4' energy: -51.363 flat angles C4'-P-C4' energy: -49.051 flat angles P-C4'-P energy: -18.220 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: 1, replica: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1146.393554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.393554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.393554 (E_RNA) where: Base-Base interactions energy: -804.525 where: short stacking energy: -335.219 Base-Backbone interact. energy: -0.424 local terms energy: -341.443991 where: bonds (distance) C4'-P energy: -64.185 bonds (distance) P-C4' energy: -65.127 flat angles C4'-P-C4' energy: -73.303 flat angles P-C4'-P energy: -46.881 tors. eta vs tors. theta energy: -91.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1166.759858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.759858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.759858 (E_RNA) where: Base-Base interactions energy: -821.978 where: short stacking energy: -344.594 Base-Backbone interact. energy: -0.903 local terms energy: -343.879044 where: bonds (distance) C4'-P energy: -61.479 bonds (distance) P-C4' energy: -56.388 flat angles C4'-P-C4' energy: -78.358 flat angles P-C4'-P energy: -47.727 tors. eta vs tors. theta energy: -99.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1032.461893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.461893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.461893 (E_RNA) where: Base-Base interactions energy: -714.265 where: short stacking energy: -300.957 Base-Backbone interact. energy: 2.245 local terms energy: -320.442176 where: bonds (distance) C4'-P energy: -62.265 bonds (distance) P-C4' energy: -57.384 flat angles C4'-P-C4' energy: -75.371 flat angles P-C4'-P energy: -43.891 tors. eta vs tors. theta energy: -81.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -988.339352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.339352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.339352 (E_RNA) where: Base-Base interactions energy: -674.699 where: short stacking energy: -297.981 Base-Backbone interact. energy: -1.705 local terms energy: -311.935201 where: bonds (distance) C4'-P energy: -56.271 bonds (distance) P-C4' energy: -50.651 flat angles C4'-P-C4' energy: -75.645 flat angles P-C4'-P energy: -39.860 tors. eta vs tors. theta energy: -89.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -845.704245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.704245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.704245 (E_RNA) where: Base-Base interactions energy: -556.789 where: short stacking energy: -241.790 Base-Backbone interact. energy: 1.247 local terms energy: -290.162046 where: bonds (distance) C4'-P energy: -58.607 bonds (distance) P-C4' energy: -62.091 flat angles C4'-P-C4' energy: -54.567 flat angles P-C4'-P energy: -45.265 tors. eta vs tors. theta energy: -69.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -869.748631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.748631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.748631 (E_RNA) where: Base-Base interactions energy: -578.914 where: short stacking energy: -252.092 Base-Backbone interact. energy: -0.336 local terms energy: -290.499169 where: bonds (distance) C4'-P energy: -53.116 bonds (distance) P-C4' energy: -64.781 flat angles C4'-P-C4' energy: -69.087 flat angles P-C4'-P energy: -38.683 tors. eta vs tors. theta energy: -64.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -689.888918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.888918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.888918 (E_RNA) where: Base-Base interactions energy: -434.020 where: short stacking energy: -193.474 Base-Backbone interact. energy: 3.140 local terms energy: -259.009680 where: bonds (distance) C4'-P energy: -70.395 bonds (distance) P-C4' energy: -57.201 flat angles C4'-P-C4' energy: -52.801 flat angles P-C4'-P energy: -39.778 tors. eta vs tors. theta energy: -38.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -645.323958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.323958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.323958 (E_RNA) where: Base-Base interactions energy: -411.458 where: short stacking energy: -182.925 Base-Backbone interact. energy: -1.178 local terms energy: -232.687954 where: bonds (distance) C4'-P energy: -48.959 bonds (distance) P-C4' energy: -58.497 flat angles C4'-P-C4' energy: -54.446 flat angles P-C4'-P energy: -37.544 tors. eta vs tors. theta energy: -33.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -698.367707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.367707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.367707 (E_RNA) where: Base-Base interactions energy: -459.195 where: short stacking energy: -199.439 Base-Backbone interact. energy: 1.279 local terms energy: -240.451789 where: bonds (distance) C4'-P energy: -53.036 bonds (distance) P-C4' energy: -57.379 flat angles C4'-P-C4' energy: -44.024 flat angles P-C4'-P energy: -43.653 tors. eta vs tors. theta energy: -42.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -443.011400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.011400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.011400 (E_RNA) where: Base-Base interactions energy: -246.410 where: short stacking energy: -112.389 Base-Backbone interact. energy: -2.054 local terms energy: -194.546685 where: bonds (distance) C4'-P energy: -51.995 bonds (distance) P-C4' energy: -47.980 flat angles C4'-P-C4' energy: -51.837 flat angles P-C4'-P energy: -40.232 tors. eta vs tors. theta energy: -2.503 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: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1153.591933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.591933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.591933 (E_RNA) where: Base-Base interactions energy: -787.985 where: short stacking energy: -341.381 Base-Backbone interact. energy: -0.426 local terms energy: -365.180707 where: bonds (distance) C4'-P energy: -73.626 bonds (distance) P-C4' energy: -63.753 flat angles C4'-P-C4' energy: -74.994 flat angles P-C4'-P energy: -48.482 tors. eta vs tors. theta energy: -104.326 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: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1161.849958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.849958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.849958 (E_RNA) where: Base-Base interactions energy: -805.303 where: short stacking energy: -350.532 Base-Backbone interact. energy: -1.626 local terms energy: -354.920869 where: bonds (distance) C4'-P energy: -57.015 bonds (distance) P-C4' energy: -66.382 flat angles C4'-P-C4' energy: -76.886 flat angles P-C4'-P energy: -54.195 tors. eta vs tors. theta energy: -100.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1034.329134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.329134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.329134 (E_RNA) where: Base-Base interactions energy: -717.606 where: short stacking energy: -298.517 Base-Backbone interact. energy: -0.268 local terms energy: -316.454583 where: bonds (distance) C4'-P energy: -65.551 bonds (distance) P-C4' energy: -65.514 flat angles C4'-P-C4' energy: -60.611 flat angles P-C4'-P energy: -42.962 tors. eta vs tors. theta energy: -81.817 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: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -971.177678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.177678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.177678 (E_RNA) where: Base-Base interactions energy: -637.564 where: short stacking energy: -292.503 Base-Backbone interact. energy: -2.539 local terms energy: -331.074544 where: bonds (distance) C4'-P energy: -61.654 bonds (distance) P-C4' energy: -63.438 flat angles C4'-P-C4' energy: -68.492 flat angles P-C4'-P energy: -46.821 tors. eta vs tors. theta energy: -90.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -883.050361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.050361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.050361 (E_RNA) where: Base-Base interactions energy: -604.610 where: short stacking energy: -266.240 Base-Backbone interact. energy: -1.367 local terms energy: -277.073002 where: bonds (distance) C4'-P energy: -50.288 bonds (distance) P-C4' energy: -49.001 flat angles C4'-P-C4' energy: -70.134 flat angles P-C4'-P energy: -44.014 tors. eta vs tors. theta energy: -63.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -902.572866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.572866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.572866 (E_RNA) where: Base-Base interactions energy: -630.083 where: short stacking energy: -265.369 Base-Backbone interact. energy: 2.047 local terms energy: -274.536522 where: bonds (distance) C4'-P energy: -36.315 bonds (distance) P-C4' energy: -60.892 flat angles C4'-P-C4' energy: -59.900 flat angles P-C4'-P energy: -50.200 tors. eta vs tors. theta energy: -67.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -726.252605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.252605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.252605 (E_RNA) where: Base-Base interactions energy: -475.230 where: short stacking energy: -203.208 Base-Backbone interact. energy: -1.129 local terms energy: -249.893643 where: bonds (distance) C4'-P energy: -54.438 bonds (distance) P-C4' energy: -68.583 flat angles C4'-P-C4' energy: -50.356 flat angles P-C4'-P energy: -30.938 tors. eta vs tors. theta energy: -45.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -676.510052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.510052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.510052 (E_RNA) where: Base-Base interactions energy: -416.831 where: short stacking energy: -199.585 Base-Backbone interact. energy: -1.153 local terms energy: -258.525107 where: bonds (distance) C4'-P energy: -60.547 bonds (distance) P-C4' energy: -55.988 flat angles C4'-P-C4' energy: -64.776 flat angles P-C4'-P energy: -34.562 tors. eta vs tors. theta energy: -42.651 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: 4 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -662.597276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.597276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.597276 (E_RNA) where: Base-Base interactions energy: -431.053 where: short stacking energy: -191.742 Base-Backbone interact. energy: -0.942 local terms energy: -230.601855 where: bonds (distance) C4'-P energy: -38.818 bonds (distance) P-C4' energy: -65.698 flat angles C4'-P-C4' energy: -62.963 flat angles P-C4'-P energy: -35.514 tors. eta vs tors. theta energy: -27.608 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: 7 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -453.345821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.345821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.345821 (E_RNA) where: Base-Base interactions energy: -264.118 where: short stacking energy: -141.778 Base-Backbone interact. energy: -0.148 local terms energy: -189.079946 where: bonds (distance) C4'-P energy: -41.771 bonds (distance) P-C4' energy: -59.080 flat angles C4'-P-C4' energy: -50.565 flat angles P-C4'-P energy: -28.098 tors. eta vs tors. theta energy: -9.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1157.169450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.169450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.169450 (E_RNA) where: Base-Base interactions energy: -803.529 where: short stacking energy: -345.752 Base-Backbone interact. energy: -0.356 local terms energy: -353.284734 where: bonds (distance) C4'-P energy: -66.448 bonds (distance) P-C4' energy: -67.883 flat angles C4'-P-C4' energy: -76.231 flat angles P-C4'-P energy: -52.098 tors. eta vs tors. theta energy: -90.625 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: 2, replica: 8 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1140.481634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.481634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.481634 (E_RNA) where: Base-Base interactions energy: -797.220 where: short stacking energy: -335.743 Base-Backbone interact. energy: -1.615 local terms energy: -341.646949 where: bonds (distance) C4'-P energy: -60.564 bonds (distance) P-C4' energy: -56.179 flat angles C4'-P-C4' energy: -71.640 flat angles P-C4'-P energy: -52.903 tors. eta vs tors. theta energy: -100.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1042.847210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.847210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.847210 (E_RNA) where: Base-Base interactions energy: -713.384 where: short stacking energy: -303.883 Base-Backbone interact. energy: 0.008 local terms energy: -329.470962 where: bonds (distance) C4'-P energy: -59.775 bonds (distance) P-C4' energy: -66.673 flat angles C4'-P-C4' energy: -70.479 flat angles P-C4'-P energy: -44.913 tors. eta vs tors. theta energy: -87.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1018.736037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.736037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.736037 (E_RNA) where: Base-Base interactions energy: -705.332 where: short stacking energy: -302.690 Base-Backbone interact. energy: -2.842 local terms energy: -310.562068 where: bonds (distance) C4'-P energy: -60.342 bonds (distance) P-C4' energy: -46.030 flat angles C4'-P-C4' energy: -62.238 flat angles P-C4'-P energy: -51.384 tors. eta vs tors. theta energy: -90.568 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: 5 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -917.210939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.210939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.210939 (E_RNA) where: Base-Base interactions energy: -624.248 where: short stacking energy: -277.657 Base-Backbone interact. energy: 2.823 local terms energy: -295.785239 where: bonds (distance) C4'-P energy: -52.385 bonds (distance) P-C4' energy: -61.882 flat angles C4'-P-C4' energy: -67.151 flat angles P-C4'-P energy: -43.841 tors. eta vs tors. theta energy: -70.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -851.451721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.451721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.451721 (E_RNA) where: Base-Base interactions energy: -576.502 where: short stacking energy: -248.451 Base-Backbone interact. energy: -3.074 local terms energy: -271.875655 where: bonds (distance) C4'-P energy: -57.131 bonds (distance) P-C4' energy: -53.343 flat angles C4'-P-C4' energy: -57.304 flat angles P-C4'-P energy: -44.057 tors. eta vs tors. theta energy: -60.040 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: 1 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -758.157855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.157855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.157855 (E_RNA) where: Base-Base interactions energy: -505.740 where: short stacking energy: -218.747 Base-Backbone interact. energy: -2.048 local terms energy: -250.369481 where: bonds (distance) C4'-P energy: -47.678 bonds (distance) P-C4' energy: -61.338 flat angles C4'-P-C4' energy: -60.382 flat angles P-C4'-P energy: -32.276 tors. eta vs tors. theta energy: -48.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -669.689008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.689008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.689008 (E_RNA) where: Base-Base interactions energy: -433.306 where: short stacking energy: -200.423 Base-Backbone interact. energy: -0.431 local terms energy: -235.951569 where: bonds (distance) C4'-P energy: -49.925 bonds (distance) P-C4' energy: -58.362 flat angles C4'-P-C4' energy: -50.258 flat angles P-C4'-P energy: -35.201 tors. eta vs tors. theta energy: -42.205 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: 4 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -637.352588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.352588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.352588 (E_RNA) where: Base-Base interactions energy: -420.976 where: short stacking energy: -185.481 Base-Backbone interact. energy: 0.510 local terms energy: -216.886537 where: bonds (distance) C4'-P energy: -51.908 bonds (distance) P-C4' energy: -51.149 flat angles C4'-P-C4' energy: -49.742 flat angles P-C4'-P energy: -30.430 tors. eta vs tors. theta energy: -33.658 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: 10, replica: 7 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -479.186042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.186042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.186042 (E_RNA) where: Base-Base interactions energy: -262.693 where: short stacking energy: -128.743 Base-Backbone interact. energy: -0.895 local terms energy: -215.598105 where: bonds (distance) C4'-P energy: -57.793 bonds (distance) P-C4' energy: -55.694 flat angles C4'-P-C4' energy: -55.217 flat angles P-C4'-P energy: -37.478 tors. eta vs tors. theta energy: -9.416 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: 183 Temperature: 0.900000 Total energy: -1153.529017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.529017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.529017 (E_RNA) where: Base-Base interactions energy: -798.713 where: short stacking energy: -339.481 Base-Backbone interact. energy: -2.219 local terms energy: -352.597165 where: bonds (distance) C4'-P energy: -69.027 bonds (distance) P-C4' energy: -64.590 flat angles C4'-P-C4' energy: -75.132 flat angles P-C4'-P energy: -46.390 tors. eta vs tors. theta energy: -97.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1159.122151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.122151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.122151 (E_RNA) where: Base-Base interactions energy: -790.945 where: short stacking energy: -347.108 Base-Backbone interact. energy: -2.664 local terms energy: -365.513163 where: bonds (distance) C4'-P energy: -62.863 bonds (distance) P-C4' energy: -66.866 flat angles C4'-P-C4' energy: -77.557 flat angles P-C4'-P energy: -51.265 tors. eta vs tors. theta energy: -106.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1037.048908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.048908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.048908 (E_RNA) where: Base-Base interactions energy: -730.994 where: short stacking energy: -315.175 Base-Backbone interact. energy: 0.884 local terms energy: -306.939151 where: bonds (distance) C4'-P energy: -59.098 bonds (distance) P-C4' energy: -54.234 flat angles C4'-P-C4' energy: -68.537 flat angles P-C4'-P energy: -42.218 tors. eta vs tors. theta energy: -82.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1028.733659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.733659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.733659 (E_RNA) where: Base-Base interactions energy: -690.396 where: short stacking energy: -302.889 Base-Backbone interact. energy: -2.166 local terms energy: -336.171136 where: bonds (distance) C4'-P energy: -61.578 bonds (distance) P-C4' energy: -55.114 flat angles C4'-P-C4' energy: -75.319 flat angles P-C4'-P energy: -47.113 tors. eta vs tors. theta energy: -97.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -961.917062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.917062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.917062 (E_RNA) where: Base-Base interactions energy: -649.564 where: short stacking energy: -273.162 Base-Backbone interact. energy: -1.164 local terms energy: -311.188913 where: bonds (distance) C4'-P energy: -59.237 bonds (distance) P-C4' energy: -61.187 flat angles C4'-P-C4' energy: -64.965 flat angles P-C4'-P energy: -42.677 tors. eta vs tors. theta energy: -83.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -847.370647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.370647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.370647 (E_RNA) where: Base-Base interactions energy: -562.734 where: short stacking energy: -235.347 Base-Backbone interact. energy: -2.090 local terms energy: -282.546896 where: bonds (distance) C4'-P energy: -56.848 bonds (distance) P-C4' energy: -56.539 flat angles C4'-P-C4' energy: -70.775 flat angles P-C4'-P energy: -42.521 tors. eta vs tors. theta energy: -55.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -797.517765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.517765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.517765 (E_RNA) where: Base-Base interactions energy: -523.229 where: short stacking energy: -216.350 Base-Backbone interact. energy: 0.515 local terms energy: -274.803993 where: bonds (distance) C4'-P energy: -60.592 bonds (distance) P-C4' energy: -59.496 flat angles C4'-P-C4' energy: -66.753 flat angles P-C4'-P energy: -38.122 tors. eta vs tors. theta energy: -49.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -693.295990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.295990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.295990 (E_RNA) where: Base-Base interactions energy: -460.420 where: short stacking energy: -198.454 Base-Backbone interact. energy: 0.952 local terms energy: -233.828399 where: bonds (distance) C4'-P energy: -52.224 bonds (distance) P-C4' energy: -52.714 flat angles C4'-P-C4' energy: -56.839 flat angles P-C4'-P energy: -34.526 tors. eta vs tors. theta energy: -37.525 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: 9, replica: 2 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -690.854683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.854683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.854683 (E_RNA) where: Base-Base interactions energy: -448.226 where: short stacking energy: -194.978 Base-Backbone interact. energy: -0.973 local terms energy: -241.654747 where: bonds (distance) C4'-P energy: -63.980 bonds (distance) P-C4' energy: -48.905 flat angles C4'-P-C4' energy: -49.360 flat angles P-C4'-P energy: -37.299 tors. eta vs tors. theta energy: -42.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -465.707911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.707911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.707911 (E_RNA) where: Base-Base interactions energy: -252.684 where: short stacking energy: -135.940 Base-Backbone interact. energy: -0.193 local terms energy: -212.830813 where: bonds (distance) C4'-P energy: -51.112 bonds (distance) P-C4' energy: -57.738 flat angles C4'-P-C4' energy: -51.963 flat angles P-C4'-P energy: -31.713 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: 1, replica: 8 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1166.399158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.399158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.399158 (E_RNA) where: Base-Base interactions energy: -796.143 where: short stacking energy: -363.114 Base-Backbone interact. energy: -2.628 local terms energy: -367.628170 where: bonds (distance) C4'-P energy: -67.375 bonds (distance) P-C4' energy: -67.270 flat angles C4'-P-C4' energy: -73.927 flat angles P-C4'-P energy: -52.281 tors. eta vs tors. theta energy: -106.775 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: 2, replica: 10 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1125.190096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.190096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.190096 (E_RNA) where: Base-Base interactions energy: -784.879 where: short stacking energy: -323.660 Base-Backbone interact. energy: -0.938 local terms energy: -339.373152 where: bonds (distance) C4'-P energy: -64.641 bonds (distance) P-C4' energy: -68.938 flat angles C4'-P-C4' energy: -65.659 flat angles P-C4'-P energy: -43.485 tors. eta vs tors. theta energy: -96.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1041.828697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.828697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.828697 (E_RNA) where: Base-Base interactions energy: -704.198 where: short stacking energy: -296.735 Base-Backbone interact. energy: -0.735 local terms energy: -336.895065 where: bonds (distance) C4'-P energy: -63.002 bonds (distance) P-C4' energy: -65.351 flat angles C4'-P-C4' energy: -77.318 flat angles P-C4'-P energy: -44.677 tors. eta vs tors. theta energy: -86.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1058.684946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.684946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.684946 (E_RNA) where: Base-Base interactions energy: -733.296 where: short stacking energy: -320.125 Base-Backbone interact. energy: -1.432 local terms energy: -323.957237 where: bonds (distance) C4'-P energy: -54.756 bonds (distance) P-C4' energy: -50.683 flat angles C4'-P-C4' energy: -74.022 flat angles P-C4'-P energy: -41.479 tors. eta vs tors. theta energy: -103.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -921.558075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.558075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.558075 (E_RNA) where: Base-Base interactions energy: -629.938 where: short stacking energy: -271.053 Base-Backbone interact. energy: 1.071 local terms energy: -292.691284 where: bonds (distance) C4'-P energy: -55.076 bonds (distance) P-C4' energy: -68.105 flat angles C4'-P-C4' energy: -61.351 flat angles P-C4'-P energy: -34.907 tors. eta vs tors. theta energy: -73.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -848.980372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.980372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.980372 (E_RNA) where: Base-Base interactions energy: -558.096 where: short stacking energy: -235.249 Base-Backbone interact. energy: -2.738 local terms energy: -288.146480 where: bonds (distance) C4'-P energy: -53.795 bonds (distance) P-C4' energy: -62.345 flat angles C4'-P-C4' energy: -62.919 flat angles P-C4'-P energy: -43.305 tors. eta vs tors. theta energy: -65.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -773.127452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.127452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.127452 (E_RNA) where: Base-Base interactions energy: -495.831 where: short stacking energy: -206.403 Base-Backbone interact. energy: -1.417 local terms energy: -275.880113 where: bonds (distance) C4'-P energy: -63.270 bonds (distance) P-C4' energy: -62.398 flat angles C4'-P-C4' energy: -65.022 flat angles P-C4'-P energy: -40.663 tors. eta vs tors. theta energy: -44.528 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: 4 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -664.869705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.869705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.869705 (E_RNA) where: Base-Base interactions energy: -424.643 where: short stacking energy: -190.216 Base-Backbone interact. energy: -1.397 local terms energy: -238.829845 where: bonds (distance) C4'-P energy: -60.675 bonds (distance) P-C4' energy: -57.330 flat angles C4'-P-C4' energy: -51.226 flat angles P-C4'-P energy: -32.988 tors. eta vs tors. theta energy: -36.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -666.403686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.403686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.403686 (E_RNA) where: Base-Base interactions energy: -437.983 where: short stacking energy: -203.329 Base-Backbone interact. energy: 4.330 local terms energy: -232.751552 where: bonds (distance) C4'-P energy: -57.932 bonds (distance) P-C4' energy: -48.009 flat angles C4'-P-C4' energy: -41.326 flat angles P-C4'-P energy: -38.246 tors. eta vs tors. theta energy: -47.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -441.591076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.591076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.591076 (E_RNA) where: Base-Base interactions energy: -264.172 where: short stacking energy: -138.279 Base-Backbone interact. energy: 1.675 local terms energy: -179.094070 where: bonds (distance) C4'-P energy: -48.837 bonds (distance) P-C4' energy: -49.579 flat angles C4'-P-C4' energy: -42.241 flat angles P-C4'-P energy: -23.601 tors. eta vs tors. theta energy: -14.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1171.651691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.651691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.651691 (E_RNA) where: Base-Base interactions energy: -814.688 where: short stacking energy: -358.084 Base-Backbone interact. energy: -0.427 local terms energy: -356.536225 where: bonds (distance) C4'-P energy: -51.206 bonds (distance) P-C4' energy: -60.188 flat angles C4'-P-C4' energy: -80.324 flat angles P-C4'-P energy: -57.955 tors. eta vs tors. theta energy: -106.863 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: 10 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1122.781548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.781548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.781548 (E_RNA) where: Base-Base interactions energy: -780.809 where: short stacking energy: -323.835 Base-Backbone interact. energy: 0.097 local terms energy: -342.069172 where: bonds (distance) C4'-P energy: -59.425 bonds (distance) P-C4' energy: -74.498 flat angles C4'-P-C4' energy: -70.533 flat angles P-C4'-P energy: -47.113 tors. eta vs tors. theta energy: -90.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1034.025248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.025248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.025248 (E_RNA) where: Base-Base interactions energy: -711.550 where: short stacking energy: -279.111 Base-Backbone interact. energy: -2.129 local terms energy: -320.346486 where: bonds (distance) C4'-P energy: -59.889 bonds (distance) P-C4' energy: -67.835 flat angles C4'-P-C4' energy: -68.643 flat angles P-C4'-P energy: -44.001 tors. eta vs tors. theta energy: -79.979 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: 4, replica: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1026.887591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.887591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.887591 (E_RNA) where: Base-Base interactions energy: -698.459 where: short stacking energy: -290.818 Base-Backbone interact. energy: -1.787 local terms energy: -326.641098 where: bonds (distance) C4'-P energy: -62.103 bonds (distance) P-C4' energy: -67.128 flat angles C4'-P-C4' energy: -70.274 flat angles P-C4'-P energy: -40.792 tors. eta vs tors. theta energy: -86.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -950.256472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.256472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.256472 (E_RNA) where: Base-Base interactions energy: -655.933 where: short stacking energy: -294.245 Base-Backbone interact. energy: -2.433 local terms energy: -291.890813 where: bonds (distance) C4'-P energy: -54.584 bonds (distance) P-C4' energy: -53.609 flat angles C4'-P-C4' energy: -62.593 flat angles P-C4'-P energy: -36.292 tors. eta vs tors. theta energy: -84.813 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: 9 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -862.853799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.853799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.853799 (E_RNA) where: Base-Base interactions energy: -573.662 where: short stacking energy: -241.627 Base-Backbone interact. energy: -2.025 local terms energy: -287.165934 where: bonds (distance) C4'-P energy: -58.943 bonds (distance) P-C4' energy: -65.104 flat angles C4'-P-C4' energy: -62.949 flat angles P-C4'-P energy: -35.734 tors. eta vs tors. theta energy: -64.436 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: 1 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -797.639964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.639964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.639964 (E_RNA) where: Base-Base interactions energy: -549.475 where: short stacking energy: -259.215 Base-Backbone interact. energy: 0.885 local terms energy: -249.050432 where: bonds (distance) C4'-P energy: -46.915 bonds (distance) P-C4' energy: -56.448 flat angles C4'-P-C4' energy: -54.218 flat angles P-C4'-P energy: -32.069 tors. eta vs tors. theta energy: -59.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -683.047120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.047120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.047120 (E_RNA) where: Base-Base interactions energy: -441.361 where: short stacking energy: -203.944 Base-Backbone interact. energy: -0.451 local terms energy: -241.235483 where: bonds (distance) C4'-P energy: -50.103 bonds (distance) P-C4' energy: -60.670 flat angles C4'-P-C4' energy: -56.406 flat angles P-C4'-P energy: -45.204 tors. eta vs tors. theta energy: -28.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -626.567562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.567562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.567562 (E_RNA) where: Base-Base interactions energy: -417.534 where: short stacking energy: -172.593 Base-Backbone interact. energy: -0.557 local terms energy: -208.476504 where: bonds (distance) C4'-P energy: -46.956 bonds (distance) P-C4' energy: -52.920 flat angles C4'-P-C4' energy: -42.182 flat angles P-C4'-P energy: -32.687 tors. eta vs tors. theta energy: -33.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -437.129798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.129798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.129798 (E_RNA) where: Base-Base interactions energy: -253.254 where: short stacking energy: -123.614 Base-Backbone interact. energy: 0.378 local terms energy: -184.253831 where: bonds (distance) C4'-P energy: -51.485 bonds (distance) P-C4' energy: -52.819 flat angles C4'-P-C4' energy: -57.448 flat angles P-C4'-P energy: -22.259 tors. eta vs tors. theta energy: -0.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1177.915404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.915404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.915404 (E_RNA) where: Base-Base interactions energy: -824.746 where: short stacking energy: -339.574 Base-Backbone interact. energy: -1.830 local terms energy: -351.338875 where: bonds (distance) C4'-P energy: -59.130 bonds (distance) P-C4' energy: -64.613 flat angles C4'-P-C4' energy: -75.591 flat angles P-C4'-P energy: -54.289 tors. eta vs tors. theta energy: -97.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1110.346005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.346005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.346005 (E_RNA) where: Base-Base interactions energy: -758.529 where: short stacking energy: -318.585 Base-Backbone interact. energy: -0.469 local terms energy: -351.348254 where: bonds (distance) C4'-P energy: -64.902 bonds (distance) P-C4' energy: -72.069 flat angles C4'-P-C4' energy: -75.522 flat angles P-C4'-P energy: -50.921 tors. eta vs tors. theta energy: -87.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1044.023043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.023043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.023043 (E_RNA) where: Base-Base interactions energy: -711.626 where: short stacking energy: -308.218 Base-Backbone interact. energy: -0.169 local terms energy: -332.228864 where: bonds (distance) C4'-P energy: -63.980 bonds (distance) P-C4' energy: -60.751 flat angles C4'-P-C4' energy: -59.346 flat angles P-C4'-P energy: -54.527 tors. eta vs tors. theta energy: -93.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -990.322829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.322829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.322829 (E_RNA) where: Base-Base interactions energy: -684.147 where: short stacking energy: -281.594 Base-Backbone interact. energy: -1.615 local terms energy: -304.560342 where: bonds (distance) C4'-P energy: -60.019 bonds (distance) P-C4' energy: -58.475 flat angles C4'-P-C4' energy: -68.089 flat angles P-C4'-P energy: -49.059 tors. eta vs tors. theta energy: -68.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -942.167991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.167991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.167991 (E_RNA) where: Base-Base interactions energy: -626.180 where: short stacking energy: -282.995 Base-Backbone interact. energy: -1.643 local terms energy: -314.345896 where: bonds (distance) C4'-P energy: -66.693 bonds (distance) P-C4' energy: -63.796 flat angles C4'-P-C4' energy: -73.969 flat angles P-C4'-P energy: -35.596 tors. eta vs tors. theta energy: -74.293 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: 9 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -877.424355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.424355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.424355 (E_RNA) where: Base-Base interactions energy: -583.979 where: short stacking energy: -255.034 Base-Backbone interact. energy: 0.238 local terms energy: -293.683614 where: bonds (distance) C4'-P energy: -52.059 bonds (distance) P-C4' energy: -54.236 flat angles C4'-P-C4' energy: -71.624 flat angles P-C4'-P energy: -40.705 tors. eta vs tors. theta energy: -75.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -782.044623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.044623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.044623 (E_RNA) where: Base-Base interactions energy: -502.096 where: short stacking energy: -223.976 Base-Backbone interact. energy: -1.736 local terms energy: -278.212611 where: bonds (distance) C4'-P energy: -63.382 bonds (distance) P-C4' energy: -60.852 flat angles C4'-P-C4' energy: -65.934 flat angles P-C4'-P energy: -34.125 tors. eta vs tors. theta energy: -53.920 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: 2 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -675.860476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.860476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.860476 (E_RNA) where: Base-Base interactions energy: -428.909 where: short stacking energy: -187.285 Base-Backbone interact. energy: -0.500 local terms energy: -246.451948 where: bonds (distance) C4'-P energy: -64.467 bonds (distance) P-C4' energy: -57.047 flat angles C4'-P-C4' energy: -58.376 flat angles P-C4'-P energy: -32.582 tors. eta vs tors. theta energy: -33.980 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: 4 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -640.406675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.406675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.406675 (E_RNA) where: Base-Base interactions energy: -399.189 where: short stacking energy: -176.107 Base-Backbone interact. energy: 0.487 local terms energy: -241.705047 where: bonds (distance) C4'-P energy: -58.584 bonds (distance) P-C4' energy: -51.691 flat angles C4'-P-C4' energy: -67.149 flat angles P-C4'-P energy: -34.261 tors. eta vs tors. theta energy: -30.019 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: 10, replica: 7 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -431.534913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.534913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.534913 (E_RNA) where: Base-Base interactions energy: -245.665 where: short stacking energy: -126.346 Base-Backbone interact. energy: -0.540 local terms energy: -185.330126 where: bonds (distance) C4'-P energy: -52.688 bonds (distance) P-C4' energy: -56.840 flat angles C4'-P-C4' energy: -27.839 flat angles P-C4'-P energy: -32.780 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: 1, replica: 8 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1182.768852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.768852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.768852 (E_RNA) where: Base-Base interactions energy: -821.787 where: short stacking energy: -347.845 Base-Backbone interact. energy: -2.441 local terms energy: -358.540940 where: bonds (distance) C4'-P energy: -58.859 bonds (distance) P-C4' energy: -69.336 flat angles C4'-P-C4' energy: -74.751 flat angles P-C4'-P energy: -52.438 tors. eta vs tors. theta energy: -103.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1132.935797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.935797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.935797 (E_RNA) where: Base-Base interactions energy: -792.772 where: short stacking energy: -341.554 Base-Backbone interact. energy: -1.745 local terms energy: -338.418221 where: bonds (distance) C4'-P energy: -60.778 bonds (distance) P-C4' energy: -61.510 flat angles C4'-P-C4' energy: -71.247 flat angles P-C4'-P energy: -45.382 tors. eta vs tors. theta energy: -99.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1043.547599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.547599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.547599 (E_RNA) where: Base-Base interactions energy: -716.797 where: short stacking energy: -317.089 Base-Backbone interact. energy: -0.580 local terms energy: -326.170887 where: bonds (distance) C4'-P energy: -51.335 bonds (distance) P-C4' energy: -71.704 flat angles C4'-P-C4' energy: -60.887 flat angles P-C4'-P energy: -48.755 tors. eta vs tors. theta energy: -93.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -977.962043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.962043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.962043 (E_RNA) where: Base-Base interactions energy: -659.920 where: short stacking energy: -296.469 Base-Backbone interact. energy: -1.229 local terms energy: -316.813583 where: bonds (distance) C4'-P energy: -60.437 bonds (distance) P-C4' energy: -62.523 flat angles C4'-P-C4' energy: -59.337 flat angles P-C4'-P energy: -46.966 tors. eta vs tors. theta energy: -87.549 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: 5 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -933.472379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.472379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.472379 (E_RNA) where: Base-Base interactions energy: -649.706 where: short stacking energy: -267.220 Base-Backbone interact. energy: 0.706 local terms energy: -284.472741 where: bonds (distance) C4'-P energy: -49.223 bonds (distance) P-C4' energy: -60.864 flat angles C4'-P-C4' energy: -66.981 flat angles P-C4'-P energy: -40.070 tors. eta vs tors. theta energy: -67.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -865.340389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.340389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.340389 (E_RNA) where: Base-Base interactions energy: -577.170 where: short stacking energy: -237.195 Base-Backbone interact. energy: -2.405 local terms energy: -285.765801 where: bonds (distance) C4'-P energy: -64.668 bonds (distance) P-C4' energy: -54.500 flat angles C4'-P-C4' energy: -69.489 flat angles P-C4'-P energy: -29.913 tors. eta vs tors. theta energy: -67.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -772.752874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.752874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.752874 (E_RNA) where: Base-Base interactions energy: -506.710 where: short stacking energy: -217.399 Base-Backbone interact. energy: -0.042 local terms energy: -266.001375 where: bonds (distance) C4'-P energy: -56.080 bonds (distance) P-C4' energy: -57.248 flat angles C4'-P-C4' energy: -69.614 flat angles P-C4'-P energy: -34.869 tors. eta vs tors. theta energy: -48.190 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: 2 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -667.045752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.045752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.045752 (E_RNA) where: Base-Base interactions energy: -403.270 where: short stacking energy: -190.755 Base-Backbone interact. energy: -1.358 local terms energy: -262.418046 where: bonds (distance) C4'-P energy: -55.290 bonds (distance) P-C4' energy: -70.223 flat angles C4'-P-C4' energy: -57.573 flat angles P-C4'-P energy: -31.828 tors. eta vs tors. theta energy: -47.504 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: 187 Temperature: 1.300000 Total energy: -650.354241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.354241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.354241 (E_RNA) where: Base-Base interactions energy: -443.481 where: short stacking energy: -189.378 Base-Backbone interact. energy: -2.259 local terms energy: -204.614763 where: bonds (distance) C4'-P energy: -36.737 bonds (distance) P-C4' energy: -54.112 flat angles C4'-P-C4' energy: -49.382 flat angles P-C4'-P energy: -31.518 tors. eta vs tors. theta energy: -32.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -421.277712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.277712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.277712 (E_RNA) where: Base-Base interactions energy: -228.104 where: short stacking energy: -100.992 Base-Backbone interact. energy: 1.064 local terms energy: -194.236824 where: bonds (distance) C4'-P energy: -54.125 bonds (distance) P-C4' energy: -42.632 flat angles C4'-P-C4' energy: -55.465 flat angles P-C4'-P energy: -35.297 tors. eta vs tors. theta energy: -6.717 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: 8 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1170.470649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.470649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.470649 (E_RNA) where: Base-Base interactions energy: -819.376 where: short stacking energy: -336.523 Base-Backbone interact. energy: 0.016 local terms energy: -351.110744 where: bonds (distance) C4'-P energy: -69.402 bonds (distance) P-C4' energy: -59.429 flat angles C4'-P-C4' energy: -73.967 flat angles P-C4'-P energy: -49.983 tors. eta vs tors. theta energy: -98.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1133.234612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.234612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.234612 (E_RNA) where: Base-Base interactions energy: -791.423 where: short stacking energy: -326.584 Base-Backbone interact. energy: 0.633 local terms energy: -342.444547 where: bonds (distance) C4'-P energy: -59.223 bonds (distance) P-C4' energy: -68.531 flat angles C4'-P-C4' energy: -69.544 flat angles P-C4'-P energy: -51.501 tors. eta vs tors. theta energy: -93.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1046.021141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.021141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.021141 (E_RNA) where: Base-Base interactions energy: -723.240 where: short stacking energy: -301.475 Base-Backbone interact. energy: -0.395 local terms energy: -322.386699 where: bonds (distance) C4'-P energy: -65.721 bonds (distance) P-C4' energy: -64.152 flat angles C4'-P-C4' energy: -69.829 flat angles P-C4'-P energy: -48.800 tors. eta vs tors. theta energy: -73.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -993.968506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.968506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.968506 (E_RNA) where: Base-Base interactions energy: -676.444 where: short stacking energy: -296.117 Base-Backbone interact. energy: -3.231 local terms energy: -314.293515 where: bonds (distance) C4'-P energy: -60.673 bonds (distance) P-C4' energy: -59.324 flat angles C4'-P-C4' energy: -59.790 flat angles P-C4'-P energy: -42.864 tors. eta vs tors. theta energy: -91.642 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: 9 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -940.262851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.262851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.262851 (E_RNA) where: Base-Base interactions energy: -638.301 where: short stacking energy: -272.320 Base-Backbone interact. energy: 0.059 local terms energy: -302.020458 where: bonds (distance) C4'-P energy: -59.744 bonds (distance) P-C4' energy: -55.699 flat angles C4'-P-C4' energy: -71.033 flat angles P-C4'-P energy: -46.981 tors. eta vs tors. theta energy: -68.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -910.600879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.600879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.600879 (E_RNA) where: Base-Base interactions energy: -625.755 where: short stacking energy: -263.106 Base-Backbone interact. energy: -2.204 local terms energy: -282.642010 where: bonds (distance) C4'-P energy: -58.862 bonds (distance) P-C4' energy: -63.263 flat angles C4'-P-C4' energy: -53.388 flat angles P-C4'-P energy: -38.040 tors. eta vs tors. theta energy: -69.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -746.386951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.386951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.386951 (E_RNA) where: Base-Base interactions energy: -456.382 where: short stacking energy: -219.353 Base-Backbone interact. energy: -0.334 local terms energy: -289.670795 where: bonds (distance) C4'-P energy: -59.111 bonds (distance) P-C4' energy: -57.120 flat angles C4'-P-C4' energy: -69.246 flat angles P-C4'-P energy: -45.395 tors. eta vs tors. theta energy: -58.800 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: 8, replica: 1 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -741.894119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.894119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.894119 (E_RNA) where: Base-Base interactions energy: -517.824 where: short stacking energy: -220.272 Base-Backbone interact. energy: 5.103 local terms energy: -229.173036 where: bonds (distance) C4'-P energy: -52.252 bonds (distance) P-C4' energy: -50.060 flat angles C4'-P-C4' energy: -49.197 flat angles P-C4'-P energy: -29.485 tors. eta vs tors. theta energy: -48.178 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: 4 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -676.972604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.972604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.972604 (E_RNA) where: Base-Base interactions energy: -460.050 where: short stacking energy: -213.917 Base-Backbone interact. energy: -1.323 local terms energy: -215.600089 where: bonds (distance) C4'-P energy: -55.122 bonds (distance) P-C4' energy: -45.617 flat angles C4'-P-C4' energy: -52.443 flat angles P-C4'-P energy: -27.409 tors. eta vs tors. theta energy: -35.009 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: 7 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -458.019937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.019937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.019937 (E_RNA) where: Base-Base interactions energy: -280.050 where: short stacking energy: -151.889 Base-Backbone interact. energy: -0.935 local terms energy: -177.034885 where: bonds (distance) C4'-P energy: -46.201 bonds (distance) P-C4' energy: -43.298 flat angles C4'-P-C4' energy: -41.775 flat angles P-C4'-P energy: -27.809 tors. eta vs tors. theta energy: -17.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1157.430045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.430045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.430045 (E_RNA) where: Base-Base interactions energy: -800.364 where: short stacking energy: -337.405 Base-Backbone interact. energy: -3.584 local terms energy: -353.481972 where: bonds (distance) C4'-P energy: -63.612 bonds (distance) P-C4' energy: -72.697 flat angles C4'-P-C4' energy: -73.882 flat angles P-C4'-P energy: -50.162 tors. eta vs tors. theta energy: -93.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1119.462361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.462361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.462361 (E_RNA) where: Base-Base interactions energy: -778.394 where: short stacking energy: -333.753 Base-Backbone interact. energy: -1.211 local terms energy: -339.857260 where: bonds (distance) C4'-P energy: -64.353 bonds (distance) P-C4' energy: -58.051 flat angles C4'-P-C4' energy: -69.840 flat angles P-C4'-P energy: -48.477 tors. eta vs tors. theta energy: -99.136 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: 189 Temperature: 1.000000 Total energy: -1037.233347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.233347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.233347 (E_RNA) where: Base-Base interactions energy: -716.195 where: short stacking energy: -294.500 Base-Backbone interact. energy: -0.891 local terms energy: -320.147549 where: bonds (distance) C4'-P energy: -61.268 bonds (distance) P-C4' energy: -70.130 flat angles C4'-P-C4' energy: -62.032 flat angles P-C4'-P energy: -43.057 tors. eta vs tors. theta energy: -83.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -983.159273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.159273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.159273 (E_RNA) where: Base-Base interactions energy: -685.369 where: short stacking energy: -280.876 Base-Backbone interact. energy: 0.314 local terms energy: -298.104432 where: bonds (distance) C4'-P energy: -49.752 bonds (distance) P-C4' energy: -58.228 flat angles C4'-P-C4' energy: -65.212 flat angles P-C4'-P energy: -34.679 tors. eta vs tors. theta energy: -90.234 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: 9 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -959.073803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.073803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.073803 (E_RNA) where: Base-Base interactions energy: -671.760 where: short stacking energy: -262.613 Base-Backbone interact. energy: -1.519 local terms energy: -285.794452 where: bonds (distance) C4'-P energy: -57.244 bonds (distance) P-C4' energy: -59.612 flat angles C4'-P-C4' energy: -59.818 flat angles P-C4'-P energy: -26.665 tors. eta vs tors. theta energy: -82.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -935.262894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.262894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.262894 (E_RNA) where: Base-Base interactions energy: -634.744 where: short stacking energy: -285.110 Base-Backbone interact. energy: -0.376 local terms energy: -300.142901 where: bonds (distance) C4'-P energy: -57.326 bonds (distance) P-C4' energy: -57.622 flat angles C4'-P-C4' energy: -65.502 flat angles P-C4'-P energy: -46.015 tors. eta vs tors. theta energy: -73.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -766.357490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.357490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.357490 (E_RNA) where: Base-Base interactions energy: -511.684 where: short stacking energy: -249.414 Base-Backbone interact. energy: -0.550 local terms energy: -254.123607 where: bonds (distance) C4'-P energy: -42.229 bonds (distance) P-C4' energy: -53.640 flat angles C4'-P-C4' energy: -61.558 flat angles P-C4'-P energy: -41.086 tors. eta vs tors. theta energy: -55.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -737.958526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.958526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.958526 (E_RNA) where: Base-Base interactions energy: -505.055 where: short stacking energy: -220.121 Base-Backbone interact. energy: 0.350 local terms energy: -233.252776 where: bonds (distance) C4'-P energy: -35.283 bonds (distance) P-C4' energy: -65.084 flat angles C4'-P-C4' energy: -57.386 flat angles P-C4'-P energy: -24.604 tors. eta vs tors. theta energy: -50.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -717.126861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.126861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.126861 (E_RNA) where: Base-Base interactions energy: -476.062 where: short stacking energy: -189.454 Base-Backbone interact. energy: 1.232 local terms energy: -242.296988 where: bonds (distance) C4'-P energy: -50.826 bonds (distance) P-C4' energy: -64.638 flat angles C4'-P-C4' energy: -56.511 flat angles P-C4'-P energy: -29.376 tors. eta vs tors. theta energy: -40.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -440.813280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.813280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.813280 (E_RNA) where: Base-Base interactions energy: -242.284 where: short stacking energy: -131.075 Base-Backbone interact. energy: 0.051 local terms energy: -198.580289 where: bonds (distance) C4'-P energy: -52.703 bonds (distance) P-C4' energy: -58.297 flat angles C4'-P-C4' energy: -52.945 flat angles P-C4'-P energy: -24.118 tors. eta vs tors. theta energy: -10.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1176.112102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.112102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.112102 (E_RNA) where: Base-Base interactions energy: -814.540 where: short stacking energy: -321.637 Base-Backbone interact. energy: -2.897 local terms energy: -358.674758 where: bonds (distance) C4'-P energy: -64.948 bonds (distance) P-C4' energy: -71.969 flat angles C4'-P-C4' energy: -73.514 flat angles P-C4'-P energy: -48.357 tors. eta vs tors. theta energy: -99.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1098.888907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.888907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.888907 (E_RNA) where: Base-Base interactions energy: -746.404 where: short stacking energy: -324.232 Base-Backbone interact. energy: -1.622 local terms energy: -350.863503 where: bonds (distance) C4'-P energy: -67.570 bonds (distance) P-C4' energy: -71.720 flat angles C4'-P-C4' energy: -74.914 flat angles P-C4'-P energy: -38.664 tors. eta vs tors. theta energy: -97.997 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: 3, replica: 6 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1043.454484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.454484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.454484 (E_RNA) where: Base-Base interactions energy: -724.263 where: short stacking energy: -310.549 Base-Backbone interact. energy: -0.827 local terms energy: -318.364823 where: bonds (distance) C4'-P energy: -62.378 bonds (distance) P-C4' energy: -58.650 flat angles C4'-P-C4' energy: -60.009 flat angles P-C4'-P energy: -44.867 tors. eta vs tors. theta energy: -92.460 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: 190 Temperature: 1.050000 Total energy: -1013.315223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.315223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.315223 (E_RNA) where: Base-Base interactions energy: -691.154 where: short stacking energy: -293.905 Base-Backbone interact. energy: 0.388 local terms energy: -322.548578 where: bonds (distance) C4'-P energy: -48.878 bonds (distance) P-C4' energy: -65.003 flat angles C4'-P-C4' energy: -72.373 flat angles P-C4'-P energy: -46.962 tors. eta vs tors. theta energy: -89.333 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: 9 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -958.588778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.588778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.588778 (E_RNA) where: Base-Base interactions energy: -662.644 where: short stacking energy: -279.666 Base-Backbone interact. energy: -2.813 local terms energy: -293.131612 where: bonds (distance) C4'-P energy: -51.380 bonds (distance) P-C4' energy: -60.068 flat angles C4'-P-C4' energy: -65.182 flat angles P-C4'-P energy: -41.044 tors. eta vs tors. theta energy: -75.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -906.219208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.219208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.219208 (E_RNA) where: Base-Base interactions energy: -613.214 where: short stacking energy: -272.018 Base-Backbone interact. energy: -1.230 local terms energy: -291.774941 where: bonds (distance) C4'-P energy: -61.820 bonds (distance) P-C4' energy: -63.174 flat angles C4'-P-C4' energy: -58.094 flat angles P-C4'-P energy: -36.897 tors. eta vs tors. theta energy: -71.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -781.084485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.084485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.084485 (E_RNA) where: Base-Base interactions energy: -511.026 where: short stacking energy: -229.519 Base-Backbone interact. energy: 3.513 local terms energy: -273.570659 where: bonds (distance) C4'-P energy: -63.881 bonds (distance) P-C4' energy: -66.755 flat angles C4'-P-C4' energy: -52.781 flat angles P-C4'-P energy: -36.576 tors. eta vs tors. theta energy: -53.578 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: 1 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -738.170557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.170557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.170557 (E_RNA) where: Base-Base interactions energy: -508.423 where: short stacking energy: -208.309 Base-Backbone interact. energy: 2.654 local terms energy: -232.401030 where: bonds (distance) C4'-P energy: -53.986 bonds (distance) P-C4' energy: -57.545 flat angles C4'-P-C4' energy: -51.254 flat angles P-C4'-P energy: -28.582 tors. eta vs tors. theta energy: -41.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -716.612731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.612731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.612731 (E_RNA) where: Base-Base interactions energy: -478.774 where: short stacking energy: -203.606 Base-Backbone interact. energy: -0.552 local terms energy: -237.287413 where: bonds (distance) C4'-P energy: -54.461 bonds (distance) P-C4' energy: -56.198 flat angles C4'-P-C4' energy: -54.153 flat angles P-C4'-P energy: -26.247 tors. eta vs tors. theta energy: -46.229 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: 7 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -450.965503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.965503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.965503 (E_RNA) where: Base-Base interactions energy: -240.609 where: short stacking energy: -130.731 Base-Backbone interact. energy: 0.353 local terms energy: -210.709184 where: bonds (distance) C4'-P energy: -64.246 bonds (distance) P-C4' energy: -55.057 flat angles C4'-P-C4' energy: -47.955 flat angles P-C4'-P energy: -27.155 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: 1, replica: 8 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1180.134193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.134193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.134193 (E_RNA) where: Base-Base interactions energy: -813.872 where: short stacking energy: -337.677 Base-Backbone interact. energy: -3.265 local terms energy: -362.996791 where: bonds (distance) C4'-P energy: -64.377 bonds (distance) P-C4' energy: -66.625 flat angles C4'-P-C4' energy: -78.798 flat angles P-C4'-P energy: -52.104 tors. eta vs tors. theta energy: -101.092 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: 10 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1096.810615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.810615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.810615 (E_RNA) where: Base-Base interactions energy: -765.414 where: short stacking energy: -320.017 Base-Backbone interact. energy: -1.110 local terms energy: -330.286081 where: bonds (distance) C4'-P energy: -60.674 bonds (distance) P-C4' energy: -62.644 flat angles C4'-P-C4' energy: -60.770 flat angles P-C4'-P energy: -46.706 tors. eta vs tors. theta energy: -99.491 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: 6 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1019.056770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.056770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.056770 (E_RNA) where: Base-Base interactions energy: -699.758 where: short stacking energy: -284.426 Base-Backbone interact. energy: -1.483 local terms energy: -317.815477 where: bonds (distance) C4'-P energy: -51.965 bonds (distance) P-C4' energy: -71.147 flat angles C4'-P-C4' energy: -64.499 flat angles P-C4'-P energy: -44.917 tors. eta vs tors. theta energy: -85.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -941.617299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.617299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.617299 (E_RNA) where: Base-Base interactions energy: -656.996 where: short stacking energy: -271.383 Base-Backbone interact. energy: -1.139 local terms energy: -283.482507 where: bonds (distance) C4'-P energy: -61.928 bonds (distance) P-C4' energy: -59.505 flat angles C4'-P-C4' energy: -64.165 flat angles P-C4'-P energy: -25.823 tors. eta vs tors. theta energy: -72.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -953.039994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.039994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.039994 (E_RNA) where: Base-Base interactions energy: -660.131 where: short stacking energy: -284.681 Base-Backbone interact. energy: -2.856 local terms energy: -290.053945 where: bonds (distance) C4'-P energy: -43.385 bonds (distance) P-C4' energy: -52.853 flat angles C4'-P-C4' energy: -73.952 flat angles P-C4'-P energy: -45.360 tors. eta vs tors. theta energy: -74.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -896.430663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.430663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.430663 (E_RNA) where: Base-Base interactions energy: -606.474 where: short stacking energy: -267.551 Base-Backbone interact. energy: 0.408 local terms energy: -290.365564 where: bonds (distance) C4'-P energy: -58.096 bonds (distance) P-C4' energy: -59.371 flat angles C4'-P-C4' energy: -59.158 flat angles P-C4'-P energy: -45.244 tors. eta vs tors. theta energy: -68.496 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: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -789.920962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.920962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.920962 (E_RNA) where: Base-Base interactions energy: -524.413 where: short stacking energy: -232.869 Base-Backbone interact. energy: -0.324 local terms energy: -265.183888 where: bonds (distance) C4'-P energy: -53.494 bonds (distance) P-C4' energy: -52.937 flat angles C4'-P-C4' energy: -58.345 flat angles P-C4'-P energy: -40.476 tors. eta vs tors. theta energy: -59.932 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: 1 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -754.019318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.019318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.019318 (E_RNA) where: Base-Base interactions energy: -473.538 where: short stacking energy: -202.645 Base-Backbone interact. energy: -1.327 local terms energy: -279.153859 where: bonds (distance) C4'-P energy: -56.383 bonds (distance) P-C4' energy: -61.850 flat angles C4'-P-C4' energy: -65.180 flat angles P-C4'-P energy: -44.365 tors. eta vs tors. theta energy: -51.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -722.242037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.242037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.242037 (E_RNA) where: Base-Base interactions energy: -494.387 where: short stacking energy: -190.616 Base-Backbone interact. energy: 1.742 local terms energy: -229.597604 where: bonds (distance) C4'-P energy: -45.489 bonds (distance) P-C4' energy: -46.769 flat angles C4'-P-C4' energy: -58.770 flat angles P-C4'-P energy: -34.740 tors. eta vs tors. theta energy: -43.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -395.249101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.249101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.249101 (E_RNA) where: Base-Base interactions energy: -178.530 where: short stacking energy: -119.311 Base-Backbone interact. energy: 0.926 local terms energy: -217.645313 where: bonds (distance) C4'-P energy: -58.034 bonds (distance) P-C4' energy: -61.368 flat angles C4'-P-C4' energy: -50.908 flat angles P-C4'-P energy: -32.642 tors. eta vs tors. theta energy: -14.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1188.264748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.264748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.264748 (E_RNA) where: Base-Base interactions energy: -828.954 where: short stacking energy: -349.577 Base-Backbone interact. energy: -1.487 local terms energy: -357.823911 where: bonds (distance) C4'-P energy: -63.162 bonds (distance) P-C4' energy: -65.114 flat angles C4'-P-C4' energy: -73.175 flat angles P-C4'-P energy: -48.935 tors. eta vs tors. theta energy: -107.438 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: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1113.154352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.154352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.154352 (E_RNA) where: Base-Base interactions energy: -758.306 where: short stacking energy: -324.122 Base-Backbone interact. energy: -0.578 local terms energy: -354.270155 where: bonds (distance) C4'-P energy: -64.406 bonds (distance) P-C4' energy: -70.484 flat angles C4'-P-C4' energy: -74.335 flat angles P-C4'-P energy: -46.752 tors. eta vs tors. theta energy: -98.294 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: 6 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1023.288002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.288002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.288002 (E_RNA) where: Base-Base interactions energy: -720.577 where: short stacking energy: -305.415 Base-Backbone interact. energy: -0.892 local terms energy: -301.819330 where: bonds (distance) C4'-P energy: -46.925 bonds (distance) P-C4' energy: -64.889 flat angles C4'-P-C4' energy: -68.241 flat angles P-C4'-P energy: -38.558 tors. eta vs tors. theta energy: -83.206 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: 9 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -938.534713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.534713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.534713 (E_RNA) where: Base-Base interactions energy: -638.953 where: short stacking energy: -249.781 Base-Backbone interact. energy: -1.428 local terms energy: -298.153700 where: bonds (distance) C4'-P energy: -54.673 bonds (distance) P-C4' energy: -71.656 flat angles C4'-P-C4' energy: -64.746 flat angles P-C4'-P energy: -37.850 tors. eta vs tors. theta energy: -69.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -926.961416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.961416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.961416 (E_RNA) where: Base-Base interactions energy: -622.624 where: short stacking energy: -289.576 Base-Backbone interact. energy: -0.953 local terms energy: -303.384811 where: bonds (distance) C4'-P energy: -50.657 bonds (distance) P-C4' energy: -63.130 flat angles C4'-P-C4' energy: -62.247 flat angles P-C4'-P energy: -40.784 tors. eta vs tors. theta energy: -86.567 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: 5 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -881.734149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.734149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.734149 (E_RNA) where: Base-Base interactions energy: -597.457 where: short stacking energy: -256.906 Base-Backbone interact. energy: -1.041 local terms energy: -283.236083 where: bonds (distance) C4'-P energy: -40.965 bonds (distance) P-C4' energy: -56.968 flat angles C4'-P-C4' energy: -71.534 flat angles P-C4'-P energy: -47.943 tors. eta vs tors. theta energy: -65.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -766.700224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.700224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.700224 (E_RNA) where: Base-Base interactions energy: -495.991 where: short stacking energy: -214.019 Base-Backbone interact. energy: -2.710 local terms energy: -267.999184 where: bonds (distance) C4'-P energy: -54.629 bonds (distance) P-C4' energy: -59.166 flat angles C4'-P-C4' energy: -64.754 flat angles P-C4'-P energy: -41.055 tors. eta vs tors. theta energy: -48.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -769.836290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.836290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.836290 (E_RNA) where: Base-Base interactions energy: -512.711 where: short stacking energy: -232.913 Base-Backbone interact. energy: -3.355 local terms energy: -253.769608 where: bonds (distance) C4'-P energy: -45.253 bonds (distance) P-C4' energy: -64.407 flat angles C4'-P-C4' energy: -58.809 flat angles P-C4'-P energy: -25.355 tors. eta vs tors. theta energy: -59.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -689.581935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.581935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.581935 (E_RNA) where: Base-Base interactions energy: -459.478 where: short stacking energy: -180.908 Base-Backbone interact. energy: 0.175 local terms energy: -230.279208 where: bonds (distance) C4'-P energy: -57.212 bonds (distance) P-C4' energy: -45.542 flat angles C4'-P-C4' energy: -49.820 flat angles P-C4'-P energy: -36.489 tors. eta vs tors. theta energy: -41.215 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: 10, replica: 7 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -356.567474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.567474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.567474 (E_RNA) where: Base-Base interactions energy: -162.567 where: short stacking energy: -101.114 Base-Backbone interact. energy: 0.389 local terms energy: -194.388625 where: bonds (distance) C4'-P energy: -50.178 bonds (distance) P-C4' energy: -62.932 flat angles C4'-P-C4' energy: -46.040 flat angles P-C4'-P energy: -36.135 tors. eta vs tors. theta energy: 0.898 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: 8 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1189.987529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.987529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.987529 (E_RNA) where: Base-Base interactions energy: -827.844 where: short stacking energy: -339.931 Base-Backbone interact. energy: -0.942 local terms energy: -361.201201 where: bonds (distance) C4'-P energy: -70.366 bonds (distance) P-C4' energy: -70.614 flat angles C4'-P-C4' energy: -73.280 flat angles P-C4'-P energy: -46.927 tors. eta vs tors. theta energy: -100.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1107.092521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.092521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.092521 (E_RNA) where: Base-Base interactions energy: -763.705 where: short stacking energy: -327.074 Base-Backbone interact. energy: -1.365 local terms energy: -342.022540 where: bonds (distance) C4'-P energy: -61.859 bonds (distance) P-C4' energy: -65.021 flat angles C4'-P-C4' energy: -75.047 flat angles P-C4'-P energy: -44.704 tors. eta vs tors. theta energy: -95.391 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: 6 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1024.008717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.008717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.008717 (E_RNA) where: Base-Base interactions energy: -719.322 where: short stacking energy: -286.194 Base-Backbone interact. energy: -1.233 local terms energy: -303.453939 where: bonds (distance) C4'-P energy: -56.604 bonds (distance) P-C4' energy: -59.854 flat angles C4'-P-C4' energy: -62.665 flat angles P-C4'-P energy: -42.754 tors. eta vs tors. theta energy: -81.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -994.146221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.146221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.146221 (E_RNA) where: Base-Base interactions energy: -693.507 where: short stacking energy: -308.662 Base-Backbone interact. energy: -1.383 local terms energy: -299.256769 where: bonds (distance) C4'-P energy: -41.932 bonds (distance) P-C4' energy: -57.891 flat angles C4'-P-C4' energy: -70.999 flat angles P-C4'-P energy: -38.573 tors. eta vs tors. theta energy: -89.861 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: 9 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -938.790306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.790306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.790306 (E_RNA) where: Base-Base interactions energy: -630.970 where: short stacking energy: -267.979 Base-Backbone interact. energy: -2.485 local terms energy: -305.335080 where: bonds (distance) C4'-P energy: -49.979 bonds (distance) P-C4' energy: -53.028 flat angles C4'-P-C4' energy: -77.595 flat angles P-C4'-P energy: -49.785 tors. eta vs tors. theta energy: -74.948 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: 6, replica: 5 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -858.719611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.719611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.719611 (E_RNA) where: Base-Base interactions energy: -580.354 where: short stacking energy: -265.433 Base-Backbone interact. energy: -0.606 local terms energy: -277.759249 where: bonds (distance) C4'-P energy: -59.336 bonds (distance) P-C4' energy: -56.069 flat angles C4'-P-C4' energy: -66.017 flat angles P-C4'-P energy: -34.206 tors. eta vs tors. theta energy: -62.132 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: 1 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -757.642783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.642783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.642783 (E_RNA) where: Base-Base interactions energy: -509.329 where: short stacking energy: -226.884 Base-Backbone interact. energy: 0.059 local terms energy: -248.373322 where: bonds (distance) C4'-P energy: -47.212 bonds (distance) P-C4' energy: -53.614 flat angles C4'-P-C4' energy: -62.865 flat angles P-C4'-P energy: -32.078 tors. eta vs tors. theta energy: -52.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -711.881823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.881823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.881823 (E_RNA) where: Base-Base interactions energy: -469.029 where: short stacking energy: -208.507 Base-Backbone interact. energy: -0.374 local terms energy: -242.479255 where: bonds (distance) C4'-P energy: -52.755 bonds (distance) P-C4' energy: -50.702 flat angles C4'-P-C4' energy: -58.778 flat angles P-C4'-P energy: -33.264 tors. eta vs tors. theta energy: -46.981 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: 4 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -711.582192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.582192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.582192 (E_RNA) where: Base-Base interactions energy: -469.114 where: short stacking energy: -195.941 Base-Backbone interact. energy: 3.712 local terms energy: -246.180704 where: bonds (distance) C4'-P energy: -53.813 bonds (distance) P-C4' energy: -50.729 flat angles C4'-P-C4' energy: -61.361 flat angles P-C4'-P energy: -36.935 tors. eta vs tors. theta energy: -43.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -355.322039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.322039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.322039 (E_RNA) where: Base-Base interactions energy: -173.985 where: short stacking energy: -101.513 Base-Backbone interact. energy: -1.192 local terms energy: -180.144868 where: bonds (distance) C4'-P energy: -51.234 bonds (distance) P-C4' energy: -58.443 flat angles C4'-P-C4' energy: -42.837 flat angles P-C4'-P energy: -24.410 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1204.320550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.320550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.320550 (E_RNA) where: Base-Base interactions energy: -842.356 where: short stacking energy: -359.331 Base-Backbone interact. energy: -1.253 local terms energy: -360.710703 where: bonds (distance) C4'-P energy: -65.648 bonds (distance) P-C4' energy: -57.754 flat angles C4'-P-C4' energy: -68.277 flat angles P-C4'-P energy: -61.171 tors. eta vs tors. theta energy: -107.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1107.903175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.903175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.903175 (E_RNA) where: Base-Base interactions energy: -778.827 where: short stacking energy: -322.344 Base-Backbone interact. energy: 0.930 local terms energy: -330.006152 where: bonds (distance) C4'-P energy: -64.976 bonds (distance) P-C4' energy: -65.832 flat angles C4'-P-C4' energy: -68.021 flat angles P-C4'-P energy: -39.230 tors. eta vs tors. theta energy: -91.947 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: 6 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1034.203439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.203439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.203439 (E_RNA) where: Base-Base interactions energy: -725.777 where: short stacking energy: -291.270 Base-Backbone interact. energy: -0.777 local terms energy: -307.649242 where: bonds (distance) C4'-P energy: -63.238 bonds (distance) P-C4' energy: -43.818 flat angles C4'-P-C4' energy: -70.389 flat angles P-C4'-P energy: -48.322 tors. eta vs tors. theta energy: -81.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -988.091372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.091372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.091372 (E_RNA) where: Base-Base interactions energy: -684.207 where: short stacking energy: -304.624 Base-Backbone interact. energy: -2.896 local terms energy: -300.988210 where: bonds (distance) C4'-P energy: -52.076 bonds (distance) P-C4' energy: -59.044 flat angles C4'-P-C4' energy: -61.234 flat angles P-C4'-P energy: -47.346 tors. eta vs tors. theta energy: -81.289 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: 9 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -924.433228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.433228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.433228 (E_RNA) where: Base-Base interactions energy: -617.536 where: short stacking energy: -273.020 Base-Backbone interact. energy: -1.905 local terms energy: -304.992463 where: bonds (distance) C4'-P energy: -49.475 bonds (distance) P-C4' energy: -66.829 flat angles C4'-P-C4' energy: -69.810 flat angles P-C4'-P energy: -48.162 tors. eta vs tors. theta energy: -70.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -867.817650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.817650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.817650 (E_RNA) where: Base-Base interactions energy: -599.374 where: short stacking energy: -263.732 Base-Backbone interact. energy: 0.153 local terms energy: -268.596717 where: bonds (distance) C4'-P energy: -46.597 bonds (distance) P-C4' energy: -56.977 flat angles C4'-P-C4' energy: -66.313 flat angles P-C4'-P energy: -39.152 tors. eta vs tors. theta energy: -59.557 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: 194 Temperature: 1.200000 Total energy: -779.324269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.324269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.324269 (E_RNA) where: Base-Base interactions energy: -497.907 where: short stacking energy: -221.408 Base-Backbone interact. energy: -2.085 local terms energy: -279.332013 where: bonds (distance) C4'-P energy: -60.025 bonds (distance) P-C4' energy: -63.198 flat angles C4'-P-C4' energy: -64.331 flat angles P-C4'-P energy: -39.760 tors. eta vs tors. theta energy: -52.018 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: 8, replica: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -688.383333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.383333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.383333 (E_RNA) where: Base-Base interactions energy: -439.402 where: short stacking energy: -209.265 Base-Backbone interact. energy: -0.872 local terms energy: -248.108750 where: bonds (distance) C4'-P energy: -54.961 bonds (distance) P-C4' energy: -59.632 flat angles C4'-P-C4' energy: -51.332 flat angles P-C4'-P energy: -36.226 tors. eta vs tors. theta energy: -45.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -621.021062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.021062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.021062 (E_RNA) where: Base-Base interactions energy: -421.340 where: short stacking energy: -179.256 Base-Backbone interact. energy: -1.245 local terms energy: -198.436572 where: bonds (distance) C4'-P energy: -39.923 bonds (distance) P-C4' energy: -47.700 flat angles C4'-P-C4' energy: -52.621 flat angles P-C4'-P energy: -23.989 tors. eta vs tors. theta energy: -34.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -337.438773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.438773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.438773 (E_RNA) where: Base-Base interactions energy: -161.833 where: short stacking energy: -100.376 Base-Backbone interact. energy: 0.842 local terms energy: -176.447084 where: bonds (distance) C4'-P energy: -54.889 bonds (distance) P-C4' energy: -58.648 flat angles C4'-P-C4' energy: -32.857 flat angles P-C4'-P energy: -22.971 tors. eta vs tors. theta energy: -7.082 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: 1, replica: 8 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1186.579236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.579236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.579236 (E_RNA) where: Base-Base interactions energy: -816.160 where: short stacking energy: -359.702 Base-Backbone interact. energy: -0.361 local terms energy: -370.057509 where: bonds (distance) C4'-P energy: -66.059 bonds (distance) P-C4' energy: -63.685 flat angles C4'-P-C4' energy: -75.327 flat angles P-C4'-P energy: -53.504 tors. eta vs tors. theta energy: -111.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1099.490155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.490155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.490155 (E_RNA) where: Base-Base interactions energy: -760.933 where: short stacking energy: -308.965 Base-Backbone interact. energy: -0.690 local terms energy: -337.867784 where: bonds (distance) C4'-P energy: -60.800 bonds (distance) P-C4' energy: -66.737 flat angles C4'-P-C4' energy: -79.452 flat angles P-C4'-P energy: -39.645 tors. eta vs tors. theta energy: -91.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1023.722992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.722992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.722992 (E_RNA) where: Base-Base interactions energy: -695.756 where: short stacking energy: -291.052 Base-Backbone interact. energy: -1.107 local terms energy: -326.859853 where: bonds (distance) C4'-P energy: -70.540 bonds (distance) P-C4' energy: -57.671 flat angles C4'-P-C4' energy: -69.370 flat angles P-C4'-P energy: -47.853 tors. eta vs tors. theta energy: -81.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -985.823820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.823820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.823820 (E_RNA) where: Base-Base interactions energy: -649.100 where: short stacking energy: -293.628 Base-Backbone interact. energy: -1.310 local terms energy: -335.413459 where: bonds (distance) C4'-P energy: -57.439 bonds (distance) P-C4' energy: -60.365 flat angles C4'-P-C4' energy: -70.312 flat angles P-C4'-P energy: -58.915 tors. eta vs tors. theta energy: -88.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -909.722857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.722857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.722857 (E_RNA) where: Base-Base interactions energy: -628.445 where: short stacking energy: -268.803 Base-Backbone interact. energy: 0.834 local terms energy: -282.111868 where: bonds (distance) C4'-P energy: -56.698 bonds (distance) P-C4' energy: -49.587 flat angles C4'-P-C4' energy: -73.015 flat angles P-C4'-P energy: -31.449 tors. eta vs tors. theta energy: -71.363 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: 5 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -848.273881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.273881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.273881 (E_RNA) where: Base-Base interactions energy: -559.276 where: short stacking energy: -236.264 Base-Backbone interact. energy: -3.376 local terms energy: -285.621841 where: bonds (distance) C4'-P energy: -56.207 bonds (distance) P-C4' energy: -60.030 flat angles C4'-P-C4' energy: -62.628 flat angles P-C4'-P energy: -46.292 tors. eta vs tors. theta energy: -60.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -778.528575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.528575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.528575 (E_RNA) where: Base-Base interactions energy: -522.449 where: short stacking energy: -224.729 Base-Backbone interact. energy: -0.895 local terms energy: -255.185031 where: bonds (distance) C4'-P energy: -43.839 bonds (distance) P-C4' energy: -57.545 flat angles C4'-P-C4' energy: -64.582 flat angles P-C4'-P energy: -28.109 tors. eta vs tors. theta energy: -61.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -726.980166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.980166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.980166 (E_RNA) where: Base-Base interactions energy: -471.652 where: short stacking energy: -220.478 Base-Backbone interact. energy: -0.696 local terms energy: -254.631793 where: bonds (distance) C4'-P energy: -58.144 bonds (distance) P-C4' energy: -56.105 flat angles C4'-P-C4' energy: -66.339 flat angles P-C4'-P energy: -30.612 tors. eta vs tors. theta energy: -43.432 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: 2 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -658.977471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.977471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.977471 (E_RNA) where: Base-Base interactions energy: -420.256 where: short stacking energy: -177.115 Base-Backbone interact. energy: -0.564 local terms energy: -238.157486 where: bonds (distance) C4'-P energy: -54.233 bonds (distance) P-C4' energy: -53.150 flat angles C4'-P-C4' energy: -56.322 flat angles P-C4'-P energy: -30.029 tors. eta vs tors. theta energy: -44.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -333.693823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.693823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.693823 (E_RNA) where: Base-Base interactions energy: -142.832 where: short stacking energy: -85.088 Base-Backbone interact. energy: 0.444 local terms energy: -191.305549 where: bonds (distance) C4'-P energy: -55.173 bonds (distance) P-C4' energy: -45.873 flat angles C4'-P-C4' energy: -58.728 flat angles P-C4'-P energy: -30.979 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: 8 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1174.503498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.503498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.503498 (E_RNA) where: Base-Base interactions energy: -810.719 where: short stacking energy: -335.285 Base-Backbone interact. energy: -0.071 local terms energy: -363.713882 where: bonds (distance) C4'-P energy: -67.822 bonds (distance) P-C4' energy: -73.157 flat angles C4'-P-C4' energy: -66.936 flat angles P-C4'-P energy: -51.133 tors. eta vs tors. theta energy: -104.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1107.859614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.859614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.859614 (E_RNA) where: Base-Base interactions energy: -763.215 where: short stacking energy: -317.761 Base-Backbone interact. energy: -0.063 local terms energy: -344.581629 where: bonds (distance) C4'-P energy: -58.550 bonds (distance) P-C4' energy: -60.588 flat angles C4'-P-C4' energy: -81.761 flat angles P-C4'-P energy: -52.509 tors. eta vs tors. theta energy: -91.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1037.360293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.360293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.360293 (E_RNA) where: Base-Base interactions energy: -706.745 where: short stacking energy: -308.920 Base-Backbone interact. energy: -1.731 local terms energy: -328.884676 where: bonds (distance) C4'-P energy: -57.765 bonds (distance) P-C4' energy: -61.144 flat angles C4'-P-C4' energy: -74.521 flat angles P-C4'-P energy: -49.426 tors. eta vs tors. theta energy: -86.030 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: 3 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1009.606716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.606716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.606716 (E_RNA) where: Base-Base interactions energy: -685.730 where: short stacking energy: -295.315 Base-Backbone interact. energy: 1.572 local terms energy: -325.447862 where: bonds (distance) C4'-P energy: -49.180 bonds (distance) P-C4' energy: -59.860 flat angles C4'-P-C4' energy: -75.206 flat angles P-C4'-P energy: -43.413 tors. eta vs tors. theta energy: -97.789 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: 9 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -940.953614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.953614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.953614 (E_RNA) where: Base-Base interactions energy: -632.984 where: short stacking energy: -290.201 Base-Backbone interact. energy: -1.372 local terms energy: -306.597979 where: bonds (distance) C4'-P energy: -57.861 bonds (distance) P-C4' energy: -59.429 flat angles C4'-P-C4' energy: -69.572 flat angles P-C4'-P energy: -39.735 tors. eta vs tors. theta energy: -80.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -826.152128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.152128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.152128 (E_RNA) where: Base-Base interactions energy: -553.527 where: short stacking energy: -252.060 Base-Backbone interact. energy: -0.056 local terms energy: -272.569214 where: bonds (distance) C4'-P energy: -50.984 bonds (distance) P-C4' energy: -65.329 flat angles C4'-P-C4' energy: -68.617 flat angles P-C4'-P energy: -33.918 tors. eta vs tors. theta energy: -53.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -748.635728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.635728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.635728 (E_RNA) where: Base-Base interactions energy: -511.294 where: short stacking energy: -236.039 Base-Backbone interact. energy: 0.199 local terms energy: -237.540735 where: bonds (distance) C4'-P energy: -58.008 bonds (distance) P-C4' energy: -42.481 flat angles C4'-P-C4' energy: -64.129 flat angles P-C4'-P energy: -29.369 tors. eta vs tors. theta energy: -43.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -772.751870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.751870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.751870 (E_RNA) where: Base-Base interactions energy: -523.894 where: short stacking energy: -206.515 Base-Backbone interact. energy: -0.605 local terms energy: -248.253194 where: bonds (distance) C4'-P energy: -45.870 bonds (distance) P-C4' energy: -58.772 flat angles C4'-P-C4' energy: -55.056 flat angles P-C4'-P energy: -46.768 tors. eta vs tors. theta energy: -41.788 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: 2 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -654.025961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.025961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.025961 (E_RNA) where: Base-Base interactions energy: -400.431 where: short stacking energy: -187.321 Base-Backbone interact. energy: -1.361 local terms energy: -252.233528 where: bonds (distance) C4'-P energy: -49.636 bonds (distance) P-C4' energy: -57.486 flat angles C4'-P-C4' energy: -59.185 flat angles P-C4'-P energy: -39.342 tors. eta vs tors. theta energy: -46.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -387.672627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.672627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.672627 (E_RNA) where: Base-Base interactions energy: -200.585 where: short stacking energy: -110.674 Base-Backbone interact. energy: 2.534 local terms energy: -189.621762 where: bonds (distance) C4'-P energy: -50.082 bonds (distance) P-C4' energy: -58.113 flat angles C4'-P-C4' energy: -51.613 flat angles P-C4'-P energy: -18.714 tors. eta vs tors. theta energy: -11.099 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: 8 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1179.386003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.386003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.386003 (E_RNA) where: Base-Base interactions energy: -819.837 where: short stacking energy: -344.135 Base-Backbone interact. energy: -1.098 local terms energy: -358.451131 where: bonds (distance) C4'-P energy: -65.617 bonds (distance) P-C4' energy: -69.709 flat angles C4'-P-C4' energy: -76.191 flat angles P-C4'-P energy: -42.877 tors. eta vs tors. theta energy: -104.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1112.310776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.310776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.310776 (E_RNA) where: Base-Base interactions energy: -769.037 where: short stacking energy: -322.801 Base-Backbone interact. energy: -1.184 local terms energy: -342.089970 where: bonds (distance) C4'-P energy: -64.291 bonds (distance) P-C4' energy: -75.442 flat angles C4'-P-C4' energy: -71.873 flat angles P-C4'-P energy: -42.075 tors. eta vs tors. theta energy: -88.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1030.919833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.919833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.919833 (E_RNA) where: Base-Base interactions energy: -718.698 where: short stacking energy: -302.070 Base-Backbone interact. energy: -1.680 local terms energy: -310.541420 where: bonds (distance) C4'-P energy: -58.684 bonds (distance) P-C4' energy: -65.924 flat angles C4'-P-C4' energy: -69.022 flat angles P-C4'-P energy: -37.035 tors. eta vs tors. theta energy: -79.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -930.968044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.968044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.968044 (E_RNA) where: Base-Base interactions energy: -651.948 where: short stacking energy: -271.959 Base-Backbone interact. energy: -0.828 local terms energy: -278.192025 where: bonds (distance) C4'-P energy: -55.907 bonds (distance) P-C4' energy: -47.449 flat angles C4'-P-C4' energy: -62.178 flat angles P-C4'-P energy: -44.420 tors. eta vs tors. theta energy: -68.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -962.656478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.656478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.656478 (E_RNA) where: Base-Base interactions energy: -657.596 where: short stacking energy: -300.512 Base-Backbone interact. energy: -1.029 local terms energy: -304.031844 where: bonds (distance) C4'-P energy: -52.497 bonds (distance) P-C4' energy: -57.891 flat angles C4'-P-C4' energy: -62.680 flat angles P-C4'-P energy: -31.936 tors. eta vs tors. theta energy: -99.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -799.879229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.879229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.879229 (E_RNA) where: Base-Base interactions energy: -547.296 where: short stacking energy: -220.323 Base-Backbone interact. energy: -0.767 local terms energy: -251.816501 where: bonds (distance) C4'-P energy: -49.906 bonds (distance) P-C4' energy: -56.658 flat angles C4'-P-C4' energy: -58.322 flat angles P-C4'-P energy: -45.592 tors. eta vs tors. theta energy: -41.338 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: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -785.925273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.925273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.925273 (E_RNA) where: Base-Base interactions energy: -520.383 where: short stacking energy: -223.681 Base-Backbone interact. energy: -0.397 local terms energy: -265.145053 where: bonds (distance) C4'-P energy: -52.653 bonds (distance) P-C4' energy: -54.409 flat angles C4'-P-C4' energy: -60.555 flat angles P-C4'-P energy: -48.250 tors. eta vs tors. theta energy: -49.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -757.753102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.753102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.753102 (E_RNA) where: Base-Base interactions energy: -516.329 where: short stacking energy: -205.710 Base-Backbone interact. energy: 1.767 local terms energy: -243.190990 where: bonds (distance) C4'-P energy: -50.538 bonds (distance) P-C4' energy: -41.832 flat angles C4'-P-C4' energy: -66.356 flat angles P-C4'-P energy: -32.814 tors. eta vs tors. theta energy: -51.651 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: 2 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -627.984426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.984426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.984426 (E_RNA) where: Base-Base interactions energy: -412.190 where: short stacking energy: -184.212 Base-Backbone interact. energy: 1.465 local terms energy: -217.258889 where: bonds (distance) C4'-P energy: -51.992 bonds (distance) P-C4' energy: -58.776 flat angles C4'-P-C4' energy: -39.878 flat angles P-C4'-P energy: -28.115 tors. eta vs tors. theta energy: -38.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -352.533728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.533728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.533728 (E_RNA) where: Base-Base interactions energy: -194.088 where: short stacking energy: -107.971 Base-Backbone interact. energy: 0.977 local terms energy: -159.422628 where: bonds (distance) C4'-P energy: -39.935 bonds (distance) P-C4' energy: -51.536 flat angles C4'-P-C4' energy: -44.682 flat angles P-C4'-P energy: -16.134 tors. eta vs tors. theta energy: -7.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1160.993692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.993692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.993692 (E_RNA) where: Base-Base interactions energy: -801.208 where: short stacking energy: -337.989 Base-Backbone interact. energy: -0.088 local terms energy: -359.697293 where: bonds (distance) C4'-P energy: -66.139 bonds (distance) P-C4' energy: -69.108 flat angles C4'-P-C4' energy: -75.468 flat angles P-C4'-P energy: -51.605 tors. eta vs tors. theta energy: -97.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1111.080135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.080135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.080135 (E_RNA) where: Base-Base interactions energy: -773.330 where: short stacking energy: -330.871 Base-Backbone interact. energy: -0.884 local terms energy: -336.866129 where: bonds (distance) C4'-P energy: -52.070 bonds (distance) P-C4' energy: -61.363 flat angles C4'-P-C4' energy: -73.646 flat angles P-C4'-P energy: -49.536 tors. eta vs tors. theta energy: -100.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -964.447525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.447525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.447525 (E_RNA) where: Base-Base interactions energy: -639.556 where: short stacking energy: -294.285 Base-Backbone interact. energy: -1.028 local terms energy: -323.863615 where: bonds (distance) C4'-P energy: -65.752 bonds (distance) P-C4' energy: -62.259 flat angles C4'-P-C4' energy: -69.231 flat angles P-C4'-P energy: -40.380 tors. eta vs tors. theta energy: -86.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -999.636940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.636940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.636940 (E_RNA) where: Base-Base interactions energy: -679.814 where: short stacking energy: -293.762 Base-Backbone interact. energy: -0.518 local terms energy: -319.304457 where: bonds (distance) C4'-P energy: -65.649 bonds (distance) P-C4' energy: -63.704 flat angles C4'-P-C4' energy: -61.357 flat angles P-C4'-P energy: -42.389 tors. eta vs tors. theta energy: -86.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -957.697228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.697228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.697228 (E_RNA) where: Base-Base interactions energy: -652.431 where: short stacking energy: -266.458 Base-Backbone interact. energy: -0.491 local terms energy: -304.775635 where: bonds (distance) C4'-P energy: -62.284 bonds (distance) P-C4' energy: -46.897 flat angles C4'-P-C4' energy: -68.904 flat angles P-C4'-P energy: -43.505 tors. eta vs tors. theta energy: -83.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -795.792764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.792764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.792764 (E_RNA) where: Base-Base interactions energy: -527.498 where: short stacking energy: -231.441 Base-Backbone interact. energy: -0.927 local terms energy: -267.367265 where: bonds (distance) C4'-P energy: -43.460 bonds (distance) P-C4' energy: -56.357 flat angles C4'-P-C4' energy: -63.314 flat angles P-C4'-P energy: -43.343 tors. eta vs tors. theta energy: -60.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -786.472719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.472719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.472719 (E_RNA) where: Base-Base interactions energy: -532.886 where: short stacking energy: -241.083 Base-Backbone interact. energy: -1.930 local terms energy: -251.656700 where: bonds (distance) C4'-P energy: -55.569 bonds (distance) P-C4' energy: -59.795 flat angles C4'-P-C4' energy: -60.010 flat angles P-C4'-P energy: -20.402 tors. eta vs tors. theta energy: -55.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -731.647044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.647044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.647044 (E_RNA) where: Base-Base interactions energy: -490.568 where: short stacking energy: -198.999 Base-Backbone interact. energy: -1.458 local terms energy: -239.620826 where: bonds (distance) C4'-P energy: -60.408 bonds (distance) P-C4' energy: -59.595 flat angles C4'-P-C4' energy: -50.543 flat angles P-C4'-P energy: -35.973 tors. eta vs tors. theta energy: -33.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -636.672054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.672054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.672054 (E_RNA) where: Base-Base interactions energy: -383.312 where: short stacking energy: -160.243 Base-Backbone interact. energy: 0.346 local terms energy: -253.705428 where: bonds (distance) C4'-P energy: -56.094 bonds (distance) P-C4' energy: -64.126 flat angles C4'-P-C4' energy: -49.912 flat angles P-C4'-P energy: -43.208 tors. eta vs tors. theta energy: -40.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -361.124421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.124421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.124421 (E_RNA) where: Base-Base interactions energy: -173.022 where: short stacking energy: -108.331 Base-Backbone interact. energy: 6.188 local terms energy: -194.290018 where: bonds (distance) C4'-P energy: -44.309 bonds (distance) P-C4' energy: -62.226 flat angles C4'-P-C4' energy: -57.043 flat angles P-C4'-P energy: -28.415 tors. eta vs tors. theta energy: -2.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1167.389875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.389875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.389875 (E_RNA) where: Base-Base interactions energy: -808.207 where: short stacking energy: -339.613 Base-Backbone interact. energy: -1.859 local terms energy: -357.324232 where: bonds (distance) C4'-P energy: -59.989 bonds (distance) P-C4' energy: -67.938 flat angles C4'-P-C4' energy: -79.485 flat angles P-C4'-P energy: -48.651 tors. eta vs tors. theta energy: -101.262 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: 2, replica: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1105.157086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.157086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.157086 (E_RNA) where: Base-Base interactions energy: -764.058 where: short stacking energy: -323.227 Base-Backbone interact. energy: -1.198 local terms energy: -339.901261 where: bonds (distance) C4'-P energy: -66.862 bonds (distance) P-C4' energy: -63.687 flat angles C4'-P-C4' energy: -67.799 flat angles P-C4'-P energy: -43.795 tors. eta vs tors. theta energy: -97.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -982.684912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.684912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.684912 (E_RNA) where: Base-Base interactions energy: -678.818 where: short stacking energy: -274.710 Base-Backbone interact. energy: -1.274 local terms energy: -302.592827 where: bonds (distance) C4'-P energy: -50.591 bonds (distance) P-C4' energy: -56.875 flat angles C4'-P-C4' energy: -73.392 flat angles P-C4'-P energy: -46.864 tors. eta vs tors. theta energy: -74.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1036.896588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.896588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.896588 (E_RNA) where: Base-Base interactions energy: -736.126 where: short stacking energy: -302.696 Base-Backbone interact. energy: 0.126 local terms energy: -300.896291 where: bonds (distance) C4'-P energy: -53.768 bonds (distance) P-C4' energy: -58.676 flat angles C4'-P-C4' energy: -53.560 flat angles P-C4'-P energy: -40.308 tors. eta vs tors. theta energy: -94.584 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: 3 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -940.537837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.537837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.537837 (E_RNA) where: Base-Base interactions energy: -667.083 where: short stacking energy: -275.751 Base-Backbone interact. energy: -0.572 local terms energy: -272.882404 where: bonds (distance) C4'-P energy: -47.486 bonds (distance) P-C4' energy: -48.306 flat angles C4'-P-C4' energy: -60.373 flat angles P-C4'-P energy: -34.035 tors. eta vs tors. theta energy: -82.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -866.527739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.527739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.527739 (E_RNA) where: Base-Base interactions energy: -575.092 where: short stacking energy: -250.005 Base-Backbone interact. energy: -0.982 local terms energy: -290.452908 where: bonds (distance) C4'-P energy: -51.091 bonds (distance) P-C4' energy: -66.444 flat angles C4'-P-C4' energy: -63.124 flat angles P-C4'-P energy: -41.738 tors. eta vs tors. theta energy: -68.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -778.725796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.725796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.725796 (E_RNA) where: Base-Base interactions energy: -521.601 where: short stacking energy: -232.885 Base-Backbone interact. energy: -1.516 local terms energy: -255.608215 where: bonds (distance) C4'-P energy: -48.059 bonds (distance) P-C4' energy: -56.095 flat angles C4'-P-C4' energy: -61.094 flat angles P-C4'-P energy: -42.710 tors. eta vs tors. theta energy: -47.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -746.302671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.302671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.302671 (E_RNA) where: Base-Base interactions energy: -491.756 where: short stacking energy: -216.308 Base-Backbone interact. energy: -1.300 local terms energy: -253.246246 where: bonds (distance) C4'-P energy: -53.853 bonds (distance) P-C4' energy: -47.807 flat angles C4'-P-C4' energy: -65.897 flat angles P-C4'-P energy: -39.632 tors. eta vs tors. theta energy: -46.057 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: 2 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -574.318411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.318411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.318411 (E_RNA) where: Base-Base interactions energy: -364.361 where: short stacking energy: -165.274 Base-Backbone interact. energy: -0.582 local terms energy: -209.375565 where: bonds (distance) C4'-P energy: -51.573 bonds (distance) P-C4' energy: -54.521 flat angles C4'-P-C4' energy: -46.707 flat angles P-C4'-P energy: -28.972 tors. eta vs tors. theta energy: -27.603 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: 7 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -384.008793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.008793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.008793 (E_RNA) where: Base-Base interactions energy: -186.011 where: short stacking energy: -117.537 Base-Backbone interact. energy: 0.246 local terms energy: -198.243451 where: bonds (distance) C4'-P energy: -54.097 bonds (distance) P-C4' energy: -52.550 flat angles C4'-P-C4' energy: -42.384 flat angles P-C4'-P energy: -35.223 tors. eta vs tors. theta energy: -13.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1175.892297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.892297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.892297 (E_RNA) where: Base-Base interactions energy: -806.216 where: short stacking energy: -340.972 Base-Backbone interact. energy: -1.299 local terms energy: -368.378218 where: bonds (distance) C4'-P energy: -62.867 bonds (distance) P-C4' energy: -71.513 flat angles C4'-P-C4' energy: -77.065 flat angles P-C4'-P energy: -53.242 tors. eta vs tors. theta energy: -103.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1105.650120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.650120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.650120 (E_RNA) where: Base-Base interactions energy: -763.435 where: short stacking energy: -335.660 Base-Backbone interact. energy: -0.492 local terms energy: -341.722451 where: bonds (distance) C4'-P energy: -59.881 bonds (distance) P-C4' energy: -67.409 flat angles C4'-P-C4' energy: -76.065 flat angles P-C4'-P energy: -39.365 tors. eta vs tors. theta energy: -99.002 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: 6 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1032.853225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.853225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.853225 (E_RNA) where: Base-Base interactions energy: -722.027 where: short stacking energy: -305.860 Base-Backbone interact. energy: -0.750 local terms energy: -310.075944 where: bonds (distance) C4'-P energy: -60.049 bonds (distance) P-C4' energy: -55.347 flat angles C4'-P-C4' energy: -62.206 flat angles P-C4'-P energy: -48.296 tors. eta vs tors. theta energy: -84.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -998.416606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.416606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.416606 (E_RNA) where: Base-Base interactions energy: -673.784 where: short stacking energy: -276.296 Base-Backbone interact. energy: -0.969 local terms energy: -323.663095 where: bonds (distance) C4'-P energy: -67.205 bonds (distance) P-C4' energy: -50.846 flat angles C4'-P-C4' energy: -74.107 flat angles P-C4'-P energy: -49.319 tors. eta vs tors. theta energy: -82.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -959.717044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.717044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.717044 (E_RNA) where: Base-Base interactions energy: -648.596 where: short stacking energy: -283.393 Base-Backbone interact. energy: 0.567 local terms energy: -311.687983 where: bonds (distance) C4'-P energy: -61.320 bonds (distance) P-C4' energy: -60.550 flat angles C4'-P-C4' energy: -73.201 flat angles P-C4'-P energy: -40.219 tors. eta vs tors. theta energy: -76.399 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: 4 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -831.893827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.893827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.893827 (E_RNA) where: Base-Base interactions energy: -529.935 where: short stacking energy: -248.330 Base-Backbone interact. energy: 0.322 local terms energy: -302.280322 where: bonds (distance) C4'-P energy: -58.811 bonds (distance) P-C4' energy: -66.708 flat angles C4'-P-C4' energy: -65.134 flat angles P-C4'-P energy: -49.109 tors. eta vs tors. theta energy: -62.519 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: 200 Temperature: 1.200000 Total energy: -796.323335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.323335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.323335 (E_RNA) where: Base-Base interactions energy: -523.532 where: short stacking energy: -215.367 Base-Backbone interact. energy: -0.853 local terms energy: -271.937789 where: bonds (distance) C4'-P energy: -60.834 bonds (distance) P-C4' energy: -66.190 flat angles C4'-P-C4' energy: -67.534 flat angles P-C4'-P energy: -32.709 tors. eta vs tors. theta energy: -44.670 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: 5 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -774.389600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.389600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.389600 (E_RNA) where: Base-Base interactions energy: -522.058 where: short stacking energy: -228.209 Base-Backbone interact. energy: 0.004 local terms energy: -252.335261 where: bonds (distance) C4'-P energy: -53.953 bonds (distance) P-C4' energy: -54.079 flat angles C4'-P-C4' energy: -48.562 flat angles P-C4'-P energy: -41.202 tors. eta vs tors. theta energy: -54.540 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: 9, replica: 2 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -582.419542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.419542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.419542 (E_RNA) where: Base-Base interactions energy: -360.267 where: short stacking energy: -159.881 Base-Backbone interact. energy: -1.654 local terms energy: -220.498896 where: bonds (distance) C4'-P energy: -60.629 bonds (distance) P-C4' energy: -50.845 flat angles C4'-P-C4' energy: -52.994 flat angles P-C4'-P energy: -22.895 tors. eta vs tors. theta energy: -33.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -395.873849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.873849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.873849 (E_RNA) where: Base-Base interactions energy: -214.262 where: short stacking energy: -111.396 Base-Backbone interact. energy: -2.895 local terms energy: -178.716562 where: bonds (distance) C4'-P energy: -35.710 bonds (distance) P-C4' energy: -63.411 flat angles C4'-P-C4' energy: -48.476 flat angles P-C4'-P energy: -31.196 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: 1, replica: 8 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1185.908893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.908893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.908893 (E_RNA) where: Base-Base interactions energy: -829.287 where: short stacking energy: -361.933 Base-Backbone interact. energy: -2.748 local terms energy: -353.874360 where: bonds (distance) C4'-P energy: -65.996 bonds (distance) P-C4' energy: -64.610 flat angles C4'-P-C4' energy: -81.106 flat angles P-C4'-P energy: -40.028 tors. eta vs tors. theta energy: -102.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1105.376758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.376758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.376758 (E_RNA) where: Base-Base interactions energy: -765.088 where: short stacking energy: -323.669 Base-Backbone interact. energy: -1.270 local terms energy: -339.018781 where: bonds (distance) C4'-P energy: -58.901 bonds (distance) P-C4' energy: -69.045 flat angles C4'-P-C4' energy: -76.697 flat angles P-C4'-P energy: -43.084 tors. eta vs tors. theta energy: -91.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1044.305336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.305336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.305336 (E_RNA) where: Base-Base interactions energy: -720.979 where: short stacking energy: -284.988 Base-Backbone interact. energy: -0.623 local terms energy: -322.703944 where: bonds (distance) C4'-P energy: -70.495 bonds (distance) P-C4' energy: -72.196 flat angles C4'-P-C4' energy: -63.363 flat angles P-C4'-P energy: -36.404 tors. eta vs tors. theta energy: -80.246 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: 201 Temperature: 1.050000 Total energy: -992.823983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.823983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.823983 (E_RNA) where: Base-Base interactions energy: -686.864 where: short stacking energy: -317.548 Base-Backbone interact. energy: -1.261 local terms energy: -304.698731 where: bonds (distance) C4'-P energy: -55.569 bonds (distance) P-C4' energy: -62.437 flat angles C4'-P-C4' energy: -63.737 flat angles P-C4'-P energy: -38.156 tors. eta vs tors. theta energy: -84.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -940.886107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.886107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.886107 (E_RNA) where: Base-Base interactions energy: -630.876 where: short stacking energy: -289.404 Base-Backbone interact. energy: -1.389 local terms energy: -308.621121 where: bonds (distance) C4'-P energy: -62.609 bonds (distance) P-C4' energy: -56.965 flat angles C4'-P-C4' energy: -66.051 flat angles P-C4'-P energy: -38.292 tors. eta vs tors. theta energy: -84.705 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: 1 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -800.005488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.005488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.005488 (E_RNA) where: Base-Base interactions energy: -517.244 where: short stacking energy: -231.326 Base-Backbone interact. energy: 0.298 local terms energy: -283.059348 where: bonds (distance) C4'-P energy: -59.357 bonds (distance) P-C4' energy: -57.667 flat angles C4'-P-C4' energy: -56.963 flat angles P-C4'-P energy: -43.793 tors. eta vs tors. theta energy: -65.279 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: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -798.876831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.876831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.876831 (E_RNA) where: Base-Base interactions energy: -530.074 where: short stacking energy: -254.086 Base-Backbone interact. energy: 1.313 local terms energy: -270.115013 where: bonds (distance) C4'-P energy: -53.303 bonds (distance) P-C4' energy: -55.349 flat angles C4'-P-C4' energy: -58.032 flat angles P-C4'-P energy: -35.571 tors. eta vs tors. theta energy: -67.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -804.913851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.913851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.913851 (E_RNA) where: Base-Base interactions energy: -535.502 where: short stacking energy: -237.666 Base-Backbone interact. energy: -0.464 local terms energy: -268.947343 where: bonds (distance) C4'-P energy: -41.423 bonds (distance) P-C4' energy: -60.354 flat angles C4'-P-C4' energy: -64.938 flat angles P-C4'-P energy: -47.347 tors. eta vs tors. theta energy: -54.885 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: 2 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -558.099844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.099844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.099844 (E_RNA) where: Base-Base interactions energy: -331.618 where: short stacking energy: -169.813 Base-Backbone interact. energy: 0.138 local terms energy: -226.619984 where: bonds (distance) C4'-P energy: -48.535 bonds (distance) P-C4' energy: -53.049 flat angles C4'-P-C4' energy: -49.893 flat angles P-C4'-P energy: -44.031 tors. eta vs tors. theta energy: -31.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -365.967698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.967698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.967698 (E_RNA) where: Base-Base interactions energy: -182.923 where: short stacking energy: -110.174 Base-Backbone interact. energy: -0.108 local terms energy: -182.937088 where: bonds (distance) C4'-P energy: -44.436 bonds (distance) P-C4' energy: -58.129 flat angles C4'-P-C4' energy: -52.938 flat angles P-C4'-P energy: -22.769 tors. eta vs tors. theta energy: -4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1172.068963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.068963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.068963 (E_RNA) where: Base-Base interactions energy: -806.502 where: short stacking energy: -347.177 Base-Backbone interact. energy: -0.100 local terms energy: -365.467591 where: bonds (distance) C4'-P energy: -74.707 bonds (distance) P-C4' energy: -67.230 flat angles C4'-P-C4' energy: -73.248 flat angles P-C4'-P energy: -51.727 tors. eta vs tors. theta energy: -98.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1109.127295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.127295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.127295 (E_RNA) where: Base-Base interactions energy: -766.900 where: short stacking energy: -320.944 Base-Backbone interact. energy: -2.472 local terms energy: -339.755941 where: bonds (distance) C4'-P energy: -60.989 bonds (distance) P-C4' energy: -68.972 flat angles C4'-P-C4' energy: -72.427 flat angles P-C4'-P energy: -49.730 tors. eta vs tors. theta energy: -87.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1031.014034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.014034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.014034 (E_RNA) where: Base-Base interactions energy: -721.900 where: short stacking energy: -280.092 Base-Backbone interact. energy: 0.027 local terms energy: -309.140429 where: bonds (distance) C4'-P energy: -59.250 bonds (distance) P-C4' energy: -64.600 flat angles C4'-P-C4' energy: -67.504 flat angles P-C4'-P energy: -42.688 tors. eta vs tors. theta energy: -75.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -998.964137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.964137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.964137 (E_RNA) where: Base-Base interactions energy: -683.835 where: short stacking energy: -308.264 Base-Backbone interact. energy: -3.687 local terms energy: -311.442261 where: bonds (distance) C4'-P energy: -49.732 bonds (distance) P-C4' energy: -52.436 flat angles C4'-P-C4' energy: -76.657 flat angles P-C4'-P energy: -47.209 tors. eta vs tors. theta energy: -85.407 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: 5, replica: 3 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -951.433189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.433189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.433189 (E_RNA) where: Base-Base interactions energy: -637.998 where: short stacking energy: -284.937 Base-Backbone interact. energy: 0.391 local terms energy: -313.826358 where: bonds (distance) C4'-P energy: -49.495 bonds (distance) P-C4' energy: -59.809 flat angles C4'-P-C4' energy: -72.915 flat angles P-C4'-P energy: -49.777 tors. eta vs tors. theta energy: -81.830 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: 6, replica: 1 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -781.991210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.991210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.991210 (E_RNA) where: Base-Base interactions energy: -533.908 where: short stacking energy: -231.787 Base-Backbone interact. energy: 1.243 local terms energy: -249.326722 where: bonds (distance) C4'-P energy: -49.467 bonds (distance) P-C4' energy: -58.526 flat angles C4'-P-C4' energy: -58.572 flat angles P-C4'-P energy: -34.223 tors. eta vs tors. theta energy: -48.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -810.293834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.293834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.293834 (E_RNA) where: Base-Base interactions energy: -548.344 where: short stacking energy: -262.549 Base-Backbone interact. energy: 1.015 local terms energy: -262.964616 where: bonds (distance) C4'-P energy: -49.526 bonds (distance) P-C4' energy: -58.745 flat angles C4'-P-C4' energy: -50.167 flat angles P-C4'-P energy: -46.615 tors. eta vs tors. theta energy: -57.912 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: 202 Temperature: 1.250000 Total energy: -747.278809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.278809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.278809 (E_RNA) where: Base-Base interactions energy: -482.247 where: short stacking energy: -225.107 Base-Backbone interact. energy: -0.031 local terms energy: -265.000726 where: bonds (distance) C4'-P energy: -54.708 bonds (distance) P-C4' energy: -48.997 flat angles C4'-P-C4' energy: -60.023 flat angles P-C4'-P energy: -43.539 tors. eta vs tors. theta energy: -57.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -558.650832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.650832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.650832 (E_RNA) where: Base-Base interactions energy: -342.371 where: short stacking energy: -167.238 Base-Backbone interact. energy: 2.658 local terms energy: -218.937820 where: bonds (distance) C4'-P energy: -54.597 bonds (distance) P-C4' energy: -58.443 flat angles C4'-P-C4' energy: -43.393 flat angles P-C4'-P energy: -34.563 tors. eta vs tors. theta energy: -27.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -387.384429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.384429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.384429 (E_RNA) where: Base-Base interactions energy: -175.132 where: short stacking energy: -109.970 Base-Backbone interact. energy: -2.104 local terms energy: -210.148596 where: bonds (distance) C4'-P energy: -58.428 bonds (distance) P-C4' energy: -59.496 flat angles C4'-P-C4' energy: -51.310 flat angles P-C4'-P energy: -33.263 tors. eta vs tors. theta energy: -7.652 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: 1, replica: 8 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1188.128438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.128438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.128438 (E_RNA) where: Base-Base interactions energy: -821.842 where: short stacking energy: -347.974 Base-Backbone interact. energy: -1.513 local terms energy: -364.773110 where: bonds (distance) C4'-P energy: -62.833 bonds (distance) P-C4' energy: -66.348 flat angles C4'-P-C4' energy: -79.120 flat angles P-C4'-P energy: -53.825 tors. eta vs tors. theta energy: -102.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1083.762149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.762149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.762149 (E_RNA) where: Base-Base interactions energy: -771.373 where: short stacking energy: -317.424 Base-Backbone interact. energy: -0.270 local terms energy: -312.119385 where: bonds (distance) C4'-P energy: -61.697 bonds (distance) P-C4' energy: -65.752 flat angles C4'-P-C4' energy: -64.632 flat angles P-C4'-P energy: -35.753 tors. eta vs tors. theta energy: -84.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1067.183285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.183285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.183285 (E_RNA) where: Base-Base interactions energy: -742.675 where: short stacking energy: -314.502 Base-Backbone interact. energy: -0.015 local terms energy: -324.493998 where: bonds (distance) C4'-P energy: -59.407 bonds (distance) P-C4' energy: -69.273 flat angles C4'-P-C4' energy: -60.019 flat angles P-C4'-P energy: -41.292 tors. eta vs tors. theta energy: -94.503 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: 4, replica: 9 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -994.139220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.139220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.139220 (E_RNA) where: Base-Base interactions energy: -686.819 where: short stacking energy: -300.986 Base-Backbone interact. energy: 1.882 local terms energy: -309.201599 where: bonds (distance) C4'-P energy: -61.113 bonds (distance) P-C4' energy: -58.452 flat angles C4'-P-C4' energy: -62.777 flat angles P-C4'-P energy: -43.042 tors. eta vs tors. theta energy: -83.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -929.041982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.041982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.041982 (E_RNA) where: Base-Base interactions energy: -609.840 where: short stacking energy: -277.656 Base-Backbone interact. energy: -1.343 local terms energy: -317.858148 where: bonds (distance) C4'-P energy: -61.546 bonds (distance) P-C4' energy: -51.539 flat angles C4'-P-C4' energy: -74.467 flat angles P-C4'-P energy: -44.477 tors. eta vs tors. theta energy: -85.830 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: 6, replica: 5 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -835.270770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.270770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.270770 (E_RNA) where: Base-Base interactions energy: -578.810 where: short stacking energy: -242.485 Base-Backbone interact. energy: -1.426 local terms energy: -255.034725 where: bonds (distance) C4'-P energy: -64.761 bonds (distance) P-C4' energy: -48.366 flat angles C4'-P-C4' energy: -51.135 flat angles P-C4'-P energy: -33.705 tors. eta vs tors. theta energy: -57.068 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: 7, replica: 1 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -767.160748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.160748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.160748 (E_RNA) where: Base-Base interactions energy: -516.423 where: short stacking energy: -224.243 Base-Backbone interact. energy: -0.548 local terms energy: -250.190191 where: bonds (distance) C4'-P energy: -51.837 bonds (distance) P-C4' energy: -55.979 flat angles C4'-P-C4' energy: -54.736 flat angles P-C4'-P energy: -35.106 tors. eta vs tors. theta energy: -52.531 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: 8, replica: 4 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -789.815480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.815480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.815480 (E_RNA) where: Base-Base interactions energy: -505.387 where: short stacking energy: -223.454 Base-Backbone interact. energy: -0.473 local terms energy: -283.955363 where: bonds (distance) C4'-P energy: -54.906 bonds (distance) P-C4' energy: -55.208 flat angles C4'-P-C4' energy: -71.579 flat angles P-C4'-P energy: -38.821 tors. eta vs tors. theta energy: -63.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -556.642354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.642354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.642354 (E_RNA) where: Base-Base interactions energy: -351.846 where: short stacking energy: -168.791 Base-Backbone interact. energy: 0.373 local terms energy: -205.169226 where: bonds (distance) C4'-P energy: -48.823 bonds (distance) P-C4' energy: -43.629 flat angles C4'-P-C4' energy: -49.645 flat angles P-C4'-P energy: -31.294 tors. eta vs tors. theta energy: -31.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -369.228779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.228779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.228779 (E_RNA) where: Base-Base interactions energy: -176.930 where: short stacking energy: -110.618 Base-Backbone interact. energy: -1.352 local terms energy: -190.946654 where: bonds (distance) C4'-P energy: -45.602 bonds (distance) P-C4' energy: -58.433 flat angles C4'-P-C4' energy: -47.224 flat angles P-C4'-P energy: -27.749 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: 1, replica: 8 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1169.079009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.079009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.079009 (E_RNA) where: Base-Base interactions energy: -812.209 where: short stacking energy: -344.340 Base-Backbone interact. energy: -0.877 local terms energy: -355.992955 where: bonds (distance) C4'-P energy: -67.754 bonds (distance) P-C4' energy: -65.364 flat angles C4'-P-C4' energy: -76.445 flat angles P-C4'-P energy: -44.372 tors. eta vs tors. theta energy: -102.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1070.188484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.188484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.188484 (E_RNA) where: Base-Base interactions energy: -746.906 where: short stacking energy: -317.653 Base-Backbone interact. energy: -1.240 local terms energy: -322.041849 where: bonds (distance) C4'-P energy: -55.969 bonds (distance) P-C4' energy: -58.876 flat angles C4'-P-C4' energy: -67.804 flat angles P-C4'-P energy: -46.260 tors. eta vs tors. theta energy: -93.134 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: 3, replica: 10 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1089.309803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.309803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.309803 (E_RNA) where: Base-Base interactions energy: -754.220 where: short stacking energy: -308.506 Base-Backbone interact. energy: -2.200 local terms energy: -332.889998 where: bonds (distance) C4'-P energy: -62.579 bonds (distance) P-C4' energy: -69.443 flat angles C4'-P-C4' energy: -73.835 flat angles P-C4'-P energy: -34.528 tors. eta vs tors. theta energy: -92.505 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: 4, replica: 9 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -996.957698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.957698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.957698 (E_RNA) where: Base-Base interactions energy: -685.703 where: short stacking energy: -308.521 Base-Backbone interact. energy: -0.410 local terms energy: -310.844720 where: bonds (distance) C4'-P energy: -58.200 bonds (distance) P-C4' energy: -59.673 flat angles C4'-P-C4' energy: -67.496 flat angles P-C4'-P energy: -41.128 tors. eta vs tors. theta energy: -84.347 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: 204 Temperature: 1.100000 Total energy: -940.232348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.232348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.232348 (E_RNA) where: Base-Base interactions energy: -633.373 where: short stacking energy: -276.562 Base-Backbone interact. energy: -0.084 local terms energy: -306.774844 where: bonds (distance) C4'-P energy: -61.514 bonds (distance) P-C4' energy: -58.499 flat angles C4'-P-C4' energy: -67.253 flat angles P-C4'-P energy: -46.705 tors. eta vs tors. theta energy: -72.803 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: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -816.329727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.329727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.329727 (E_RNA) where: Base-Base interactions energy: -557.642 where: short stacking energy: -227.728 Base-Backbone interact. energy: -0.551 local terms energy: -258.136546 where: bonds (distance) C4'-P energy: -42.948 bonds (distance) P-C4' energy: -59.478 flat angles C4'-P-C4' energy: -64.094 flat angles P-C4'-P energy: -40.550 tors. eta vs tors. theta energy: -51.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -762.454780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.454780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.454780 (E_RNA) where: Base-Base interactions energy: -502.746 where: short stacking energy: -231.285 Base-Backbone interact. energy: 0.099 local terms energy: -259.807972 where: bonds (distance) C4'-P energy: -52.781 bonds (distance) P-C4' energy: -59.743 flat angles C4'-P-C4' energy: -59.460 flat angles P-C4'-P energy: -34.481 tors. eta vs tors. theta energy: -53.342 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: 8, replica: 1 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -743.918380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.918380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.918380 (E_RNA) where: Base-Base interactions energy: -489.182 where: short stacking energy: -193.875 Base-Backbone interact. energy: -0.772 local terms energy: -253.963918 where: bonds (distance) C4'-P energy: -56.918 bonds (distance) P-C4' energy: -61.670 flat angles C4'-P-C4' energy: -58.817 flat angles P-C4'-P energy: -36.725 tors. eta vs tors. theta energy: -39.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -554.061605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.061605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.061605 (E_RNA) where: Base-Base interactions energy: -323.162 where: short stacking energy: -164.014 Base-Backbone interact. energy: 0.377 local terms energy: -231.276396 where: bonds (distance) C4'-P energy: -55.801 bonds (distance) P-C4' energy: -55.754 flat angles C4'-P-C4' energy: -55.437 flat angles P-C4'-P energy: -34.889 tors. eta vs tors. theta energy: -29.395 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: 204 Temperature: 1.350000 Total energy: -360.354942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.354942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.354942 (E_RNA) where: Base-Base interactions energy: -172.674 where: short stacking energy: -105.327 Base-Backbone interact. energy: -1.382 local terms energy: -186.298970 where: bonds (distance) C4'-P energy: -56.987 bonds (distance) P-C4' energy: -46.761 flat angles C4'-P-C4' energy: -48.991 flat angles P-C4'-P energy: -39.801 tors. eta vs tors. theta energy: 6.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1179.955245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.955245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.955245 (E_RNA) where: Base-Base interactions energy: -815.988 where: short stacking energy: -343.573 Base-Backbone interact. energy: -0.633 local terms energy: -363.334094 where: bonds (distance) C4'-P energy: -62.719 bonds (distance) P-C4' energy: -72.063 flat angles C4'-P-C4' energy: -76.401 flat angles P-C4'-P energy: -52.377 tors. eta vs tors. theta energy: -99.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1100.802861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.802861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.802861 (E_RNA) where: Base-Base interactions energy: -779.573 where: short stacking energy: -331.507 Base-Backbone interact. energy: -1.249 local terms energy: -319.980858 where: bonds (distance) C4'-P energy: -59.708 bonds (distance) P-C4' energy: -68.934 flat angles C4'-P-C4' energy: -71.197 flat angles P-C4'-P energy: -34.175 tors. eta vs tors. theta energy: -85.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1111.462456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.462456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.462456 (E_RNA) where: Base-Base interactions energy: -757.699 where: short stacking energy: -325.642 Base-Backbone interact. energy: -2.858 local terms energy: -350.905153 where: bonds (distance) C4'-P energy: -61.988 bonds (distance) P-C4' energy: -65.157 flat angles C4'-P-C4' energy: -77.420 flat angles P-C4'-P energy: -47.032 tors. eta vs tors. theta energy: -99.308 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: 4, replica: 9 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -996.938559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.938559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.938559 (E_RNA) where: Base-Base interactions energy: -696.279 where: short stacking energy: -283.663 Base-Backbone interact. energy: -1.273 local terms energy: -299.386861 where: bonds (distance) C4'-P energy: -56.719 bonds (distance) P-C4' energy: -61.123 flat angles C4'-P-C4' energy: -72.651 flat angles P-C4'-P energy: -34.212 tors. eta vs tors. theta energy: -74.681 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: 5, replica: 3 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -914.082657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.082657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.082657 (E_RNA) where: Base-Base interactions energy: -630.169 where: short stacking energy: -278.324 Base-Backbone interact. energy: 0.325 local terms energy: -284.237890 where: bonds (distance) C4'-P energy: -56.960 bonds (distance) P-C4' energy: -52.484 flat angles C4'-P-C4' energy: -51.185 flat angles P-C4'-P energy: -46.137 tors. eta vs tors. theta energy: -77.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -836.857644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.857644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.857644 (E_RNA) where: Base-Base interactions energy: -552.252 where: short stacking energy: -246.756 Base-Backbone interact. energy: 1.012 local terms energy: -285.617282 where: bonds (distance) C4'-P energy: -55.521 bonds (distance) P-C4' energy: -62.760 flat angles C4'-P-C4' energy: -68.583 flat angles P-C4'-P energy: -37.671 tors. eta vs tors. theta energy: -61.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -762.994905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.994905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.994905 (E_RNA) where: Base-Base interactions energy: -511.495 where: short stacking energy: -231.989 Base-Backbone interact. energy: -1.572 local terms energy: -249.927817 where: bonds (distance) C4'-P energy: -45.853 bonds (distance) P-C4' energy: -56.394 flat angles C4'-P-C4' energy: -59.098 flat angles P-C4'-P energy: -34.199 tors. eta vs tors. theta energy: -54.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -760.739674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.739674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.739674 (E_RNA) where: Base-Base interactions energy: -512.824 where: short stacking energy: -220.609 Base-Backbone interact. energy: -0.745 local terms energy: -247.170405 where: bonds (distance) C4'-P energy: -48.893 bonds (distance) P-C4' energy: -51.030 flat angles C4'-P-C4' energy: -52.869 flat angles P-C4'-P energy: -43.767 tors. eta vs tors. theta energy: -50.611 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: 2 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -532.342580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.342580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.342580 (E_RNA) where: Base-Base interactions energy: -318.354 where: short stacking energy: -157.659 Base-Backbone interact. energy: -0.379 local terms energy: -213.608943 where: bonds (distance) C4'-P energy: -48.146 bonds (distance) P-C4' energy: -54.653 flat angles C4'-P-C4' energy: -50.609 flat angles P-C4'-P energy: -28.694 tors. eta vs tors. theta energy: -31.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -373.850324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.850324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.850324 (E_RNA) where: Base-Base interactions energy: -167.607 where: short stacking energy: -104.150 Base-Backbone interact. energy: 0.943 local terms energy: -207.186813 where: bonds (distance) C4'-P energy: -56.938 bonds (distance) P-C4' energy: -54.177 flat angles C4'-P-C4' energy: -60.194 flat angles P-C4'-P energy: -29.605 tors. eta vs tors. theta energy: -6.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1175.346540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.346540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.346540 (E_RNA) where: Base-Base interactions energy: -814.211 where: short stacking energy: -326.918 Base-Backbone interact. energy: -1.534 local terms energy: -359.600907 where: bonds (distance) C4'-P energy: -58.779 bonds (distance) P-C4' energy: -74.188 flat angles C4'-P-C4' energy: -75.750 flat angles P-C4'-P energy: -51.912 tors. eta vs tors. theta energy: -98.973 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: 6 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1097.693579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.693579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.693579 (E_RNA) where: Base-Base interactions energy: -758.825 where: short stacking energy: -313.759 Base-Backbone interact. energy: -0.735 local terms energy: -338.132939 where: bonds (distance) C4'-P energy: -71.540 bonds (distance) P-C4' energy: -59.372 flat angles C4'-P-C4' energy: -74.687 flat angles P-C4'-P energy: -41.733 tors. eta vs tors. theta energy: -90.801 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: 10 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1081.951156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.951156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.951156 (E_RNA) where: Base-Base interactions energy: -744.714 where: short stacking energy: -318.473 Base-Backbone interact. energy: -0.753 local terms energy: -336.484132 where: bonds (distance) C4'-P energy: -55.988 bonds (distance) P-C4' energy: -62.341 flat angles C4'-P-C4' energy: -73.957 flat angles P-C4'-P energy: -45.996 tors. eta vs tors. theta energy: -98.203 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: 206 Temperature: 1.050000 Total energy: -960.961866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.961866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.961866 (E_RNA) where: Base-Base interactions energy: -643.528 where: short stacking energy: -286.338 Base-Backbone interact. energy: -0.623 local terms energy: -316.810790 where: bonds (distance) C4'-P energy: -63.607 bonds (distance) P-C4' energy: -57.948 flat angles C4'-P-C4' energy: -65.762 flat angles P-C4'-P energy: -49.173 tors. eta vs tors. theta energy: -80.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -964.713647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.713647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.713647 (E_RNA) where: Base-Base interactions energy: -643.613 where: short stacking energy: -293.532 Base-Backbone interact. energy: -2.895 local terms energy: -318.205171 where: bonds (distance) C4'-P energy: -64.671 bonds (distance) P-C4' energy: -64.445 flat angles C4'-P-C4' energy: -65.856 flat angles P-C4'-P energy: -35.896 tors. eta vs tors. theta energy: -87.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -823.023761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.023761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.023761 (E_RNA) where: Base-Base interactions energy: -562.044 where: short stacking energy: -256.395 Base-Backbone interact. energy: -0.777 local terms energy: -260.201961 where: bonds (distance) C4'-P energy: -52.774 bonds (distance) P-C4' energy: -49.818 flat angles C4'-P-C4' energy: -54.810 flat angles P-C4'-P energy: -39.169 tors. eta vs tors. theta energy: -63.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -775.562995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.562995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.562995 (E_RNA) where: Base-Base interactions energy: -507.836 where: short stacking energy: -234.209 Base-Backbone interact. energy: 0.428 local terms energy: -268.155265 where: bonds (distance) C4'-P energy: -59.634 bonds (distance) P-C4' energy: -54.733 flat angles C4'-P-C4' energy: -54.897 flat angles P-C4'-P energy: -41.432 tors. eta vs tors. theta energy: -57.460 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: 1 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -748.264375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.264375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.264375 (E_RNA) where: Base-Base interactions energy: -507.425 where: short stacking energy: -214.740 Base-Backbone interact. energy: -1.179 local terms energy: -239.660292 where: bonds (distance) C4'-P energy: -55.262 bonds (distance) P-C4' energy: -56.058 flat angles C4'-P-C4' energy: -54.387 flat angles P-C4'-P energy: -21.866 tors. eta vs tors. theta energy: -52.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -505.974582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.974582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.974582 (E_RNA) where: Base-Base interactions energy: -309.179 where: short stacking energy: -143.753 Base-Backbone interact. energy: -1.416 local terms energy: -195.379345 where: bonds (distance) C4'-P energy: -57.370 bonds (distance) P-C4' energy: -44.091 flat angles C4'-P-C4' energy: -44.811 flat angles P-C4'-P energy: -38.816 tors. eta vs tors. theta energy: -10.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -355.578072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.578072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.578072 (E_RNA) where: Base-Base interactions energy: -177.481 where: short stacking energy: -115.816 Base-Backbone interact. energy: -0.536 local terms energy: -177.560463 where: bonds (distance) C4'-P energy: -47.407 bonds (distance) P-C4' energy: -58.738 flat angles C4'-P-C4' energy: -46.602 flat angles P-C4'-P energy: -18.517 tors. eta vs tors. theta energy: -6.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1170.046529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.046529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.046529 (E_RNA) where: Base-Base interactions energy: -815.145 where: short stacking energy: -344.961 Base-Backbone interact. energy: -0.536 local terms energy: -354.364733 where: bonds (distance) C4'-P energy: -62.371 bonds (distance) P-C4' energy: -63.407 flat angles C4'-P-C4' energy: -71.980 flat angles P-C4'-P energy: -52.213 tors. eta vs tors. theta energy: -104.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1085.665285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.665285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.665285 (E_RNA) where: Base-Base interactions energy: -758.351 where: short stacking energy: -321.107 Base-Backbone interact. energy: 0.850 local terms energy: -328.164520 where: bonds (distance) C4'-P energy: -59.705 bonds (distance) P-C4' energy: -67.406 flat angles C4'-P-C4' energy: -76.269 flat angles P-C4'-P energy: -41.244 tors. eta vs tors. theta energy: -83.542 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: 3, replica: 10 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1106.260033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.260033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.260033 (E_RNA) where: Base-Base interactions energy: -764.202 where: short stacking energy: -323.569 Base-Backbone interact. energy: -1.913 local terms energy: -340.145623 where: bonds (distance) C4'-P energy: -57.372 bonds (distance) P-C4' energy: -58.685 flat angles C4'-P-C4' energy: -77.654 flat angles P-C4'-P energy: -47.987 tors. eta vs tors. theta energy: -98.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -971.093744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.093744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.093744 (E_RNA) where: Base-Base interactions energy: -672.715 where: short stacking energy: -292.771 Base-Backbone interact. energy: -1.172 local terms energy: -297.207253 where: bonds (distance) C4'-P energy: -60.510 bonds (distance) P-C4' energy: -55.410 flat angles C4'-P-C4' energy: -65.671 flat angles P-C4'-P energy: -35.951 tors. eta vs tors. theta energy: -79.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -957.177684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.177684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.177684 (E_RNA) where: Base-Base interactions energy: -669.541 where: short stacking energy: -287.933 Base-Backbone interact. energy: -1.199 local terms energy: -286.437709 where: bonds (distance) C4'-P energy: -59.581 bonds (distance) P-C4' energy: -55.568 flat angles C4'-P-C4' energy: -62.614 flat angles P-C4'-P energy: -39.901 tors. eta vs tors. theta energy: -68.774 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: 6, replica: 5 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -832.960033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.960033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.960033 (E_RNA) where: Base-Base interactions energy: -551.459 where: short stacking energy: -236.407 Base-Backbone interact. energy: -2.601 local terms energy: -278.899821 where: bonds (distance) C4'-P energy: -55.318 bonds (distance) P-C4' energy: -58.535 flat angles C4'-P-C4' energy: -68.523 flat angles P-C4'-P energy: -45.491 tors. eta vs tors. theta energy: -51.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -792.039799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.039799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.039799 (E_RNA) where: Base-Base interactions energy: -533.155 where: short stacking energy: -232.821 Base-Backbone interact. energy: 1.485 local terms energy: -260.369587 where: bonds (distance) C4'-P energy: -43.660 bonds (distance) P-C4' energy: -63.215 flat angles C4'-P-C4' energy: -54.717 flat angles P-C4'-P energy: -44.281 tors. eta vs tors. theta energy: -54.495 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: 1 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -705.076455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.076455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.076455 (E_RNA) where: Base-Base interactions energy: -455.031 where: short stacking energy: -211.060 Base-Backbone interact. energy: -1.508 local terms energy: -248.537466 where: bonds (distance) C4'-P energy: -58.513 bonds (distance) P-C4' energy: -52.997 flat angles C4'-P-C4' energy: -60.886 flat angles P-C4'-P energy: -40.750 tors. eta vs tors. theta energy: -35.391 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: 2 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -514.487054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.487054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.487054 (E_RNA) where: Base-Base interactions energy: -304.420 where: short stacking energy: -133.279 Base-Backbone interact. energy: -3.740 local terms energy: -206.326707 where: bonds (distance) C4'-P energy: -45.468 bonds (distance) P-C4' energy: -66.086 flat angles C4'-P-C4' energy: -53.623 flat angles P-C4'-P energy: -28.809 tors. eta vs tors. theta energy: -12.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -360.366402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.366402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.366402 (E_RNA) where: Base-Base interactions energy: -192.646 where: short stacking energy: -116.004 Base-Backbone interact. energy: 0.115 local terms energy: -167.834987 where: bonds (distance) C4'-P energy: -49.029 bonds (distance) P-C4' energy: -39.212 flat angles C4'-P-C4' energy: -40.895 flat angles P-C4'-P energy: -23.133 tors. eta vs tors. theta energy: -15.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1169.048723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.048723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.048723 (E_RNA) where: Base-Base interactions energy: -827.320 where: short stacking energy: -344.575 Base-Backbone interact. energy: -0.391 local terms energy: -341.337467 where: bonds (distance) C4'-P energy: -55.313 bonds (distance) P-C4' energy: -72.063 flat angles C4'-P-C4' energy: -69.535 flat angles P-C4'-P energy: -52.037 tors. eta vs tors. theta energy: -92.390 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: 2, replica: 6 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1104.881704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.881704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.881704 (E_RNA) where: Base-Base interactions energy: -761.844 where: short stacking energy: -298.678 Base-Backbone interact. energy: -2.635 local terms energy: -340.402858 where: bonds (distance) C4'-P energy: -73.278 bonds (distance) P-C4' energy: -66.942 flat angles C4'-P-C4' energy: -66.876 flat angles P-C4'-P energy: -49.071 tors. eta vs tors. theta energy: -84.236 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: 10 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1098.851881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.851881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.851881 (E_RNA) where: Base-Base interactions energy: -759.008 where: short stacking energy: -332.366 Base-Backbone interact. energy: 1.451 local terms energy: -341.294743 where: bonds (distance) C4'-P energy: -59.750 bonds (distance) P-C4' energy: -65.267 flat angles C4'-P-C4' energy: -67.058 flat angles P-C4'-P energy: -54.833 tors. eta vs tors. theta energy: -94.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1031.991995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.991995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.991995 (E_RNA) where: Base-Base interactions energy: -705.423 where: short stacking energy: -292.055 Base-Backbone interact. energy: -2.583 local terms energy: -323.985882 where: bonds (distance) C4'-P energy: -55.802 bonds (distance) P-C4' energy: -67.003 flat angles C4'-P-C4' energy: -68.448 flat angles P-C4'-P energy: -47.048 tors. eta vs tors. theta energy: -85.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -940.349080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.349080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.349080 (E_RNA) where: Base-Base interactions energy: -659.166 where: short stacking energy: -272.901 Base-Backbone interact. energy: -0.688 local terms energy: -280.495816 where: bonds (distance) C4'-P energy: -58.157 bonds (distance) P-C4' energy: -51.845 flat angles C4'-P-C4' energy: -50.866 flat angles P-C4'-P energy: -42.430 tors. eta vs tors. theta energy: -77.198 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: 6, replica: 5 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -837.935942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.935942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.935942 (E_RNA) where: Base-Base interactions energy: -557.138 where: short stacking energy: -231.871 Base-Backbone interact. energy: -0.263 local terms energy: -280.535128 where: bonds (distance) C4'-P energy: -46.556 bonds (distance) P-C4' energy: -56.790 flat angles C4'-P-C4' energy: -67.452 flat angles P-C4'-P energy: -53.424 tors. eta vs tors. theta energy: -56.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -784.520893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.520893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.520893 (E_RNA) where: Base-Base interactions energy: -547.561 where: short stacking energy: -244.900 Base-Backbone interact. energy: 3.274 local terms energy: -240.234573 where: bonds (distance) C4'-P energy: -44.717 bonds (distance) P-C4' energy: -49.800 flat angles C4'-P-C4' energy: -56.166 flat angles P-C4'-P energy: -31.053 tors. eta vs tors. theta energy: -58.498 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: 1 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -712.716572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.716572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.716572 (E_RNA) where: Base-Base interactions energy: -476.072 where: short stacking energy: -208.824 Base-Backbone interact. energy: -1.408 local terms energy: -235.236389 where: bonds (distance) C4'-P energy: -36.730 bonds (distance) P-C4' energy: -54.878 flat angles C4'-P-C4' energy: -58.230 flat angles P-C4'-P energy: -38.750 tors. eta vs tors. theta energy: -46.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -535.394177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.394177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.394177 (E_RNA) where: Base-Base interactions energy: -329.244 where: short stacking energy: -140.774 Base-Backbone interact. energy: -1.533 local terms energy: -204.617819 where: bonds (distance) C4'-P energy: -50.525 bonds (distance) P-C4' energy: -50.522 flat angles C4'-P-C4' energy: -44.458 flat angles P-C4'-P energy: -28.246 tors. eta vs tors. theta energy: -30.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -363.487089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.487089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.487089 (E_RNA) where: Base-Base interactions energy: -153.005 where: short stacking energy: -94.746 Base-Backbone interact. energy: 5.140 local terms energy: -215.622060 where: bonds (distance) C4'-P energy: -63.553 bonds (distance) P-C4' energy: -56.698 flat angles C4'-P-C4' energy: -56.337 flat angles P-C4'-P energy: -35.176 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: 1, replica: 8 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1166.332692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.332692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.332692 (E_RNA) where: Base-Base interactions energy: -804.102 where: short stacking energy: -342.917 Base-Backbone interact. energy: -1.233 local terms energy: -360.997468 where: bonds (distance) C4'-P energy: -64.219 bonds (distance) P-C4' energy: -68.306 flat angles C4'-P-C4' energy: -76.216 flat angles P-C4'-P energy: -50.878 tors. eta vs tors. theta energy: -101.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1111.063173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.063173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.063173 (E_RNA) where: Base-Base interactions energy: -764.476 where: short stacking energy: -327.493 Base-Backbone interact. energy: 0.897 local terms energy: -347.484964 where: bonds (distance) C4'-P energy: -55.508 bonds (distance) P-C4' energy: -67.701 flat angles C4'-P-C4' energy: -79.944 flat angles P-C4'-P energy: -52.375 tors. eta vs tors. theta energy: -91.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1067.802356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.802356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.802356 (E_RNA) where: Base-Base interactions energy: -751.491 where: short stacking energy: -312.491 Base-Backbone interact. energy: -1.904 local terms energy: -314.407141 where: bonds (distance) C4'-P energy: -65.696 bonds (distance) P-C4' energy: -60.546 flat angles C4'-P-C4' energy: -61.818 flat angles P-C4'-P energy: -41.460 tors. eta vs tors. theta energy: -84.887 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: 4, replica: 3 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1009.284541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.284541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.284541 (E_RNA) where: Base-Base interactions energy: -689.645 where: short stacking energy: -302.048 Base-Backbone interact. energy: -1.183 local terms energy: -318.456335 where: bonds (distance) C4'-P energy: -61.255 bonds (distance) P-C4' energy: -59.372 flat angles C4'-P-C4' energy: -65.274 flat angles P-C4'-P energy: -48.385 tors. eta vs tors. theta energy: -84.170 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: 5, replica: 9 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -924.287806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.287806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.287806 (E_RNA) where: Base-Base interactions energy: -613.368 where: short stacking energy: -280.819 Base-Backbone interact. energy: -1.149 local terms energy: -309.770736 where: bonds (distance) C4'-P energy: -57.120 bonds (distance) P-C4' energy: -55.427 flat angles C4'-P-C4' energy: -71.583 flat angles P-C4'-P energy: -49.757 tors. eta vs tors. theta energy: -75.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -843.193633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.193633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.193633 (E_RNA) where: Base-Base interactions energy: -574.370 where: short stacking energy: -262.808 Base-Backbone interact. energy: -1.260 local terms energy: -267.563832 where: bonds (distance) C4'-P energy: -48.004 bonds (distance) P-C4' energy: -60.425 flat angles C4'-P-C4' energy: -57.948 flat angles P-C4'-P energy: -45.255 tors. eta vs tors. theta energy: -55.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -769.760984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.760984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.760984 (E_RNA) where: Base-Base interactions energy: -507.751 where: short stacking energy: -233.469 Base-Backbone interact. energy: -1.518 local terms energy: -260.492215 where: bonds (distance) C4'-P energy: -48.559 bonds (distance) P-C4' energy: -63.023 flat angles C4'-P-C4' energy: -59.015 flat angles P-C4'-P energy: -36.767 tors. eta vs tors. theta energy: -53.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -752.876469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.876469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.876469 (E_RNA) where: Base-Base interactions energy: -503.290 where: short stacking energy: -216.133 Base-Backbone interact. energy: -0.657 local terms energy: -248.929761 where: bonds (distance) C4'-P energy: -45.696 bonds (distance) P-C4' energy: -60.564 flat angles C4'-P-C4' energy: -63.594 flat angles P-C4'-P energy: -25.849 tors. eta vs tors. theta energy: -53.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -542.189590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.189590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.189590 (E_RNA) where: Base-Base interactions energy: -330.688 where: short stacking energy: -153.860 Base-Backbone interact. energy: -1.305 local terms energy: -210.196659 where: bonds (distance) C4'-P energy: -49.907 bonds (distance) P-C4' energy: -50.128 flat angles C4'-P-C4' energy: -51.360 flat angles P-C4'-P energy: -35.741 tors. eta vs tors. theta energy: -23.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -395.149789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.149789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.149789 (E_RNA) where: Base-Base interactions energy: -209.314 where: short stacking energy: -103.438 Base-Backbone interact. energy: -0.172 local terms energy: -185.663976 where: bonds (distance) C4'-P energy: -49.979 bonds (distance) P-C4' energy: -50.847 flat angles C4'-P-C4' energy: -56.332 flat angles P-C4'-P energy: -28.703 tors. eta vs tors. theta energy: 0.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1162.337974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.337974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.337974 (E_RNA) where: Base-Base interactions energy: -801.877 where: short stacking energy: -326.723 Base-Backbone interact. energy: -2.591 local terms energy: -357.869258 where: bonds (distance) C4'-P energy: -60.413 bonds (distance) P-C4' energy: -69.263 flat angles C4'-P-C4' energy: -76.222 flat angles P-C4'-P energy: -56.083 tors. eta vs tors. theta energy: -95.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1132.387533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.387533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.387533 (E_RNA) where: Base-Base interactions energy: -797.697 where: short stacking energy: -332.639 Base-Backbone interact. energy: -2.841 local terms energy: -331.849378 where: bonds (distance) C4'-P energy: -63.846 bonds (distance) P-C4' energy: -62.043 flat angles C4'-P-C4' energy: -75.528 flat angles P-C4'-P energy: -34.582 tors. eta vs tors. theta energy: -95.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1059.399188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.399188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.399188 (E_RNA) where: Base-Base interactions energy: -733.934 where: short stacking energy: -296.690 Base-Backbone interact. energy: -1.743 local terms energy: -323.721392 where: bonds (distance) C4'-P energy: -65.214 bonds (distance) P-C4' energy: -63.672 flat angles C4'-P-C4' energy: -63.414 flat angles P-C4'-P energy: -45.174 tors. eta vs tors. theta energy: -86.247 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: 4, replica: 3 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1005.081899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.081899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.081899 (E_RNA) where: Base-Base interactions energy: -682.717 where: short stacking energy: -303.418 Base-Backbone interact. energy: 0.144 local terms energy: -322.508546 where: bonds (distance) C4'-P energy: -58.402 bonds (distance) P-C4' energy: -58.212 flat angles C4'-P-C4' energy: -70.857 flat angles P-C4'-P energy: -46.304 tors. eta vs tors. theta energy: -88.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -921.664406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.664406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.664406 (E_RNA) where: Base-Base interactions energy: -618.137 where: short stacking energy: -264.106 Base-Backbone interact. energy: -0.522 local terms energy: -303.005240 where: bonds (distance) C4'-P energy: -62.435 bonds (distance) P-C4' energy: -60.490 flat angles C4'-P-C4' energy: -63.522 flat angles P-C4'-P energy: -43.324 tors. eta vs tors. theta energy: -73.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -870.064709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.064709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.064709 (E_RNA) where: Base-Base interactions energy: -596.603 where: short stacking energy: -250.852 Base-Backbone interact. energy: -1.224 local terms energy: -272.238052 where: bonds (distance) C4'-P energy: -51.321 bonds (distance) P-C4' energy: -62.420 flat angles C4'-P-C4' energy: -61.221 flat angles P-C4'-P energy: -36.286 tors. eta vs tors. theta energy: -60.990 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: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -752.069653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.069653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.069653 (E_RNA) where: Base-Base interactions energy: -474.777 where: short stacking energy: -204.264 Base-Backbone interact. energy: -2.163 local terms energy: -275.130144 where: bonds (distance) C4'-P energy: -54.288 bonds (distance) P-C4' energy: -55.783 flat angles C4'-P-C4' energy: -60.821 flat angles P-C4'-P energy: -48.768 tors. eta vs tors. theta energy: -55.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -751.696660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.696660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.696660 (E_RNA) where: Base-Base interactions energy: -493.527 where: short stacking energy: -217.359 Base-Backbone interact. energy: 0.293 local terms energy: -258.463014 where: bonds (distance) C4'-P energy: -55.378 bonds (distance) P-C4' energy: -56.873 flat angles C4'-P-C4' energy: -58.729 flat angles P-C4'-P energy: -38.722 tors. eta vs tors. theta energy: -48.761 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: 7 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -495.222541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.222541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.222541 (E_RNA) where: Base-Base interactions energy: -285.027 where: short stacking energy: -141.224 Base-Backbone interact. energy: 0.878 local terms energy: -211.073522 where: bonds (distance) C4'-P energy: -55.670 bonds (distance) P-C4' energy: -59.279 flat angles C4'-P-C4' energy: -51.992 flat angles P-C4'-P energy: -29.768 tors. eta vs tors. theta energy: -14.364 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: 10, replica: 2 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -487.234841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.234841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.234841 (E_RNA) where: Base-Base interactions energy: -303.543 where: short stacking energy: -140.876 Base-Backbone interact. energy: -0.748 local terms energy: -182.944508 where: bonds (distance) C4'-P energy: -40.981 bonds (distance) P-C4' energy: -50.326 flat angles C4'-P-C4' energy: -37.452 flat angles P-C4'-P energy: -32.034 tors. eta vs tors. theta energy: -22.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1174.782977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.782977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.782977 (E_RNA) where: Base-Base interactions energy: -797.003 where: short stacking energy: -347.751 Base-Backbone interact. energy: -1.751 local terms energy: -376.029451 where: bonds (distance) C4'-P energy: -71.398 bonds (distance) P-C4' energy: -72.233 flat angles C4'-P-C4' energy: -75.650 flat angles P-C4'-P energy: -54.295 tors. eta vs tors. theta energy: -102.454 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: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1129.336178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.336178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.336178 (E_RNA) where: Base-Base interactions energy: -786.406 where: short stacking energy: -328.364 Base-Backbone interact. energy: -1.062 local terms energy: -341.868029 where: bonds (distance) C4'-P energy: -55.476 bonds (distance) P-C4' energy: -68.715 flat angles C4'-P-C4' energy: -67.478 flat angles P-C4'-P energy: -55.454 tors. eta vs tors. theta energy: -94.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1056.370512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.370512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.370512 (E_RNA) where: Base-Base interactions energy: -729.237 where: short stacking energy: -315.993 Base-Backbone interact. energy: -0.577 local terms energy: -326.556664 where: bonds (distance) C4'-P energy: -60.115 bonds (distance) P-C4' energy: -57.981 flat angles C4'-P-C4' energy: -71.575 flat angles P-C4'-P energy: -41.842 tors. eta vs tors. theta energy: -95.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1021.218092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.218092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.218092 (E_RNA) where: Base-Base interactions energy: -697.119 where: short stacking energy: -313.360 Base-Backbone interact. energy: -0.308 local terms energy: -323.790957 where: bonds (distance) C4'-P energy: -53.740 bonds (distance) P-C4' energy: -71.211 flat angles C4'-P-C4' energy: -70.351 flat angles P-C4'-P energy: -41.014 tors. eta vs tors. theta energy: -87.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -915.668841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.668841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.668841 (E_RNA) where: Base-Base interactions energy: -620.947 where: short stacking energy: -267.965 Base-Backbone interact. energy: -2.471 local terms energy: -292.250941 where: bonds (distance) C4'-P energy: -51.673 bonds (distance) P-C4' energy: -69.251 flat angles C4'-P-C4' energy: -70.038 flat angles P-C4'-P energy: -31.921 tors. eta vs tors. theta energy: -69.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -844.132427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.132427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.132427 (E_RNA) where: Base-Base interactions energy: -567.543 where: short stacking energy: -258.785 Base-Backbone interact. energy: 2.968 local terms energy: -279.557383 where: bonds (distance) C4'-P energy: -61.304 bonds (distance) P-C4' energy: -60.354 flat angles C4'-P-C4' energy: -59.980 flat angles P-C4'-P energy: -39.794 tors. eta vs tors. theta energy: -58.124 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: 4 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -739.126462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.126462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.126462 (E_RNA) where: Base-Base interactions energy: -474.658 where: short stacking energy: -223.357 Base-Backbone interact. energy: -0.620 local terms energy: -263.848012 where: bonds (distance) C4'-P energy: -49.085 bonds (distance) P-C4' energy: -57.257 flat angles C4'-P-C4' energy: -60.447 flat angles P-C4'-P energy: -33.265 tors. eta vs tors. theta energy: -63.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -770.533514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.533514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.533514 (E_RNA) where: Base-Base interactions energy: -504.907 where: short stacking energy: -229.531 Base-Backbone interact. energy: -2.101 local terms energy: -263.525960 where: bonds (distance) C4'-P energy: -40.093 bonds (distance) P-C4' energy: -65.889 flat angles C4'-P-C4' energy: -56.610 flat angles P-C4'-P energy: -39.113 tors. eta vs tors. theta energy: -61.821 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: 7 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -563.466437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.466437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.466437 (E_RNA) where: Base-Base interactions energy: -334.091 where: short stacking energy: -148.743 Base-Backbone interact. energy: -2.945 local terms energy: -226.430343 where: bonds (distance) C4'-P energy: -51.896 bonds (distance) P-C4' energy: -66.106 flat angles C4'-P-C4' energy: -56.360 flat angles P-C4'-P energy: -33.279 tors. eta vs tors. theta energy: -18.789 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: 2 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -502.527830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.527830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.527830 (E_RNA) where: Base-Base interactions energy: -286.774 where: short stacking energy: -134.616 Base-Backbone interact. energy: -0.369 local terms energy: -215.384898 where: bonds (distance) C4'-P energy: -59.450 bonds (distance) P-C4' energy: -61.430 flat angles C4'-P-C4' energy: -49.333 flat angles P-C4'-P energy: -27.233 tors. eta vs tors. theta energy: -17.938 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: 1, replica: 8 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1197.431009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.431009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.431009 (E_RNA) where: Base-Base interactions energy: -847.986 where: short stacking energy: -349.987 Base-Backbone interact. energy: -1.136 local terms energy: -348.308833 where: bonds (distance) C4'-P energy: -61.599 bonds (distance) P-C4' energy: -64.593 flat angles C4'-P-C4' energy: -75.296 flat angles P-C4'-P energy: -42.103 tors. eta vs tors. theta energy: -104.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1140.535759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.535759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.535759 (E_RNA) where: Base-Base interactions energy: -787.285 where: short stacking energy: -324.991 Base-Backbone interact. energy: 0.206 local terms energy: -353.456897 where: bonds (distance) C4'-P energy: -74.673 bonds (distance) P-C4' energy: -60.495 flat angles C4'-P-C4' energy: -72.534 flat angles P-C4'-P energy: -49.291 tors. eta vs tors. theta energy: -96.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1047.048163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.048163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.048163 (E_RNA) where: Base-Base interactions energy: -708.671 where: short stacking energy: -317.556 Base-Backbone interact. energy: -0.025 local terms energy: -338.352060 where: bonds (distance) C4'-P energy: -63.053 bonds (distance) P-C4' energy: -68.293 flat angles C4'-P-C4' energy: -71.223 flat angles P-C4'-P energy: -37.644 tors. eta vs tors. theta energy: -98.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -998.761123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.761123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.761123 (E_RNA) where: Base-Base interactions energy: -674.129 where: short stacking energy: -304.360 Base-Backbone interact. energy: -1.297 local terms energy: -323.334564 where: bonds (distance) C4'-P energy: -58.756 bonds (distance) P-C4' energy: -62.990 flat angles C4'-P-C4' energy: -66.956 flat angles P-C4'-P energy: -49.772 tors. eta vs tors. theta energy: -84.860 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: 5, replica: 9 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -897.090681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.090681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.090681 (E_RNA) where: Base-Base interactions energy: -607.683 where: short stacking energy: -265.653 Base-Backbone interact. energy: -1.256 local terms energy: -288.151775 where: bonds (distance) C4'-P energy: -63.985 bonds (distance) P-C4' energy: -60.817 flat angles C4'-P-C4' energy: -50.243 flat angles P-C4'-P energy: -43.631 tors. eta vs tors. theta energy: -69.476 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: 5 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -846.402151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.402151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.402151 (E_RNA) where: Base-Base interactions energy: -557.761 where: short stacking energy: -247.708 Base-Backbone interact. energy: -2.395 local terms energy: -286.245976 where: bonds (distance) C4'-P energy: -50.478 bonds (distance) P-C4' energy: -68.223 flat angles C4'-P-C4' energy: -58.118 flat angles P-C4'-P energy: -44.409 tors. eta vs tors. theta energy: -65.018 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: 1 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -767.972799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.972799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.972799 (E_RNA) where: Base-Base interactions energy: -494.419 where: short stacking energy: -210.953 Base-Backbone interact. energy: 0.532 local terms energy: -274.085869 where: bonds (distance) C4'-P energy: -64.913 bonds (distance) P-C4' energy: -59.449 flat angles C4'-P-C4' energy: -64.748 flat angles P-C4'-P energy: -38.446 tors. eta vs tors. theta energy: -46.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -735.704535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.704535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.704535 (E_RNA) where: Base-Base interactions energy: -483.505 where: short stacking energy: -212.731 Base-Backbone interact. energy: 0.693 local terms energy: -252.892362 where: bonds (distance) C4'-P energy: -53.598 bonds (distance) P-C4' energy: -48.413 flat angles C4'-P-C4' energy: -63.712 flat angles P-C4'-P energy: -42.562 tors. eta vs tors. theta energy: -44.607 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: 2 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -515.700089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.700089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.700089 (E_RNA) where: Base-Base interactions energy: -323.611 where: short stacking energy: -155.737 Base-Backbone interact. energy: -2.153 local terms energy: -189.936412 where: bonds (distance) C4'-P energy: -52.359 bonds (distance) P-C4' energy: -48.544 flat angles C4'-P-C4' energy: -46.141 flat angles P-C4'-P energy: -28.644 tors. eta vs tors. theta energy: -14.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -599.487148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.487148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.487148 (E_RNA) where: Base-Base interactions energy: -401.416 where: short stacking energy: -159.870 Base-Backbone interact. energy: 0.195 local terms energy: -198.265754 where: bonds (distance) C4'-P energy: -47.857 bonds (distance) P-C4' energy: -52.304 flat angles C4'-P-C4' energy: -48.376 flat angles P-C4'-P energy: -26.317 tors. eta vs tors. theta energy: -23.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1172.791921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.791921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.791921 (E_RNA) where: Base-Base interactions energy: -817.021 where: short stacking energy: -338.979 Base-Backbone interact. energy: -2.074 local terms energy: -353.697304 where: bonds (distance) C4'-P energy: -57.816 bonds (distance) P-C4' energy: -68.364 flat angles C4'-P-C4' energy: -73.222 flat angles P-C4'-P energy: -53.785 tors. eta vs tors. theta energy: -100.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1114.466239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.466239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.466239 (E_RNA) where: Base-Base interactions energy: -772.402 where: short stacking energy: -337.568 Base-Backbone interact. energy: -0.180 local terms energy: -341.884089 where: bonds (distance) C4'-P energy: -62.399 bonds (distance) P-C4' energy: -69.250 flat angles C4'-P-C4' energy: -66.110 flat angles P-C4'-P energy: -45.548 tors. eta vs tors. theta energy: -98.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1031.294688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.294688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.294688 (E_RNA) where: Base-Base interactions energy: -698.110 where: short stacking energy: -291.283 Base-Backbone interact. energy: -1.062 local terms energy: -332.123310 where: bonds (distance) C4'-P energy: -61.705 bonds (distance) P-C4' energy: -61.940 flat angles C4'-P-C4' energy: -70.521 flat angles P-C4'-P energy: -51.751 tors. eta vs tors. theta energy: -86.207 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: 3 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1006.753452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.753452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.753452 (E_RNA) where: Base-Base interactions energy: -689.419 where: short stacking energy: -297.430 Base-Backbone interact. energy: -1.684 local terms energy: -315.650488 where: bonds (distance) C4'-P energy: -72.297 bonds (distance) P-C4' energy: -64.095 flat angles C4'-P-C4' energy: -63.332 flat angles P-C4'-P energy: -34.177 tors. eta vs tors. theta energy: -81.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -889.992913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.992913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.992913 (E_RNA) where: Base-Base interactions energy: -597.943 where: short stacking energy: -279.220 Base-Backbone interact. energy: 0.004 local terms energy: -292.054142 where: bonds (distance) C4'-P energy: -50.522 bonds (distance) P-C4' energy: -64.598 flat angles C4'-P-C4' energy: -59.852 flat angles P-C4'-P energy: -47.541 tors. eta vs tors. theta energy: -69.542 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: 5 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -827.343378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.343378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.343378 (E_RNA) where: Base-Base interactions energy: -549.608 where: short stacking energy: -254.564 Base-Backbone interact. energy: 1.531 local terms energy: -279.267055 where: bonds (distance) C4'-P energy: -52.777 bonds (distance) P-C4' energy: -57.456 flat angles C4'-P-C4' energy: -55.911 flat angles P-C4'-P energy: -40.164 tors. eta vs tors. theta energy: -72.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -787.752471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.752471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.752471 (E_RNA) where: Base-Base interactions energy: -516.966 where: short stacking energy: -233.530 Base-Backbone interact. energy: 1.334 local terms energy: -272.119676 where: bonds (distance) C4'-P energy: -53.710 bonds (distance) P-C4' energy: -61.024 flat angles C4'-P-C4' energy: -63.473 flat angles P-C4'-P energy: -39.226 tors. eta vs tors. theta energy: -54.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -717.298611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.298611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.298611 (E_RNA) where: Base-Base interactions energy: -459.802 where: short stacking energy: -207.901 Base-Backbone interact. energy: 0.474 local terms energy: -257.971239 where: bonds (distance) C4'-P energy: -43.237 bonds (distance) P-C4' energy: -53.989 flat angles C4'-P-C4' energy: -60.401 flat angles P-C4'-P energy: -45.807 tors. eta vs tors. theta energy: -54.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -505.190330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.190330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.190330 (E_RNA) where: Base-Base interactions energy: -309.834 where: short stacking energy: -147.593 Base-Backbone interact. energy: -0.772 local terms energy: -194.584208 where: bonds (distance) C4'-P energy: -40.327 bonds (distance) P-C4' energy: -54.769 flat angles C4'-P-C4' energy: -50.344 flat angles P-C4'-P energy: -37.765 tors. eta vs tors. theta energy: -11.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -527.203426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.203426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.203426 (E_RNA) where: Base-Base interactions energy: -334.247 where: short stacking energy: -139.940 Base-Backbone interact. energy: -0.853 local terms energy: -192.103951 where: bonds (distance) C4'-P energy: -40.896 bonds (distance) P-C4' energy: -53.997 flat angles C4'-P-C4' energy: -56.781 flat angles P-C4'-P energy: -28.354 tors. eta vs tors. theta energy: -12.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1182.925525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.925525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.925525 (E_RNA) where: Base-Base interactions energy: -832.624 where: short stacking energy: -348.403 Base-Backbone interact. energy: -1.761 local terms energy: -348.540683 where: bonds (distance) C4'-P energy: -57.354 bonds (distance) P-C4' energy: -60.170 flat angles C4'-P-C4' energy: -76.518 flat angles P-C4'-P energy: -53.669 tors. eta vs tors. theta energy: -100.830 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: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1112.510878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.510878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.510878 (E_RNA) where: Base-Base interactions energy: -769.747 where: short stacking energy: -309.143 Base-Backbone interact. energy: 0.373 local terms energy: -343.137210 where: bonds (distance) C4'-P energy: -66.294 bonds (distance) P-C4' energy: -61.509 flat angles C4'-P-C4' energy: -72.213 flat angles P-C4'-P energy: -46.496 tors. eta vs tors. theta energy: -96.625 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: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1032.256457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.256457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.256457 (E_RNA) where: Base-Base interactions energy: -710.571 where: short stacking energy: -290.695 Base-Backbone interact. energy: -1.629 local terms energy: -320.056752 where: bonds (distance) C4'-P energy: -52.291 bonds (distance) P-C4' energy: -67.429 flat angles C4'-P-C4' energy: -65.476 flat angles P-C4'-P energy: -46.780 tors. eta vs tors. theta energy: -88.081 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: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -985.967834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.967834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.967834 (E_RNA) where: Base-Base interactions energy: -661.229 where: short stacking energy: -306.438 Base-Backbone interact. energy: -1.203 local terms energy: -323.536157 where: bonds (distance) C4'-P energy: -56.730 bonds (distance) P-C4' energy: -70.031 flat angles C4'-P-C4' energy: -68.520 flat angles P-C4'-P energy: -34.052 tors. eta vs tors. theta energy: -94.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -905.279246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.279246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.279246 (E_RNA) where: Base-Base interactions energy: -597.022 where: short stacking energy: -283.294 Base-Backbone interact. energy: -0.503 local terms energy: -307.753746 where: bonds (distance) C4'-P energy: -61.563 bonds (distance) P-C4' energy: -64.957 flat angles C4'-P-C4' energy: -61.574 flat angles P-C4'-P energy: -45.380 tors. eta vs tors. theta energy: -74.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -852.158342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.158342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.158342 (E_RNA) where: Base-Base interactions energy: -573.427 where: short stacking energy: -260.792 Base-Backbone interact. energy: -0.292 local terms energy: -278.439866 where: bonds (distance) C4'-P energy: -57.688 bonds (distance) P-C4' energy: -61.251 flat angles C4'-P-C4' energy: -62.509 flat angles P-C4'-P energy: -40.580 tors. eta vs tors. theta energy: -56.411 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: 1 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -816.294228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.294228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.294228 (E_RNA) where: Base-Base interactions energy: -537.257 where: short stacking energy: -245.568 Base-Backbone interact. energy: -0.950 local terms energy: -278.086881 where: bonds (distance) C4'-P energy: -49.269 bonds (distance) P-C4' energy: -66.691 flat angles C4'-P-C4' energy: -53.118 flat angles P-C4'-P energy: -37.031 tors. eta vs tors. theta energy: -71.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -728.210775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.210775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.210775 (E_RNA) where: Base-Base interactions energy: -451.907 where: short stacking energy: -205.061 Base-Backbone interact. energy: 2.458 local terms energy: -278.761090 where: bonds (distance) C4'-P energy: -55.436 bonds (distance) P-C4' energy: -60.675 flat angles C4'-P-C4' energy: -64.008 flat angles P-C4'-P energy: -47.152 tors. eta vs tors. theta energy: -51.490 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: 9, replica: 7 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -599.105176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.105176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.105176 (E_RNA) where: Base-Base interactions energy: -369.773 where: short stacking energy: -174.397 Base-Backbone interact. energy: -1.009 local terms energy: -228.323641 where: bonds (distance) C4'-P energy: -50.331 bonds (distance) P-C4' energy: -44.926 flat angles C4'-P-C4' energy: -61.638 flat angles P-C4'-P energy: -34.248 tors. eta vs tors. theta energy: -37.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -484.899271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.899271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.899271 (E_RNA) where: Base-Base interactions energy: -294.570 where: short stacking energy: -127.507 Base-Backbone interact. energy: -2.193 local terms energy: -188.135837 where: bonds (distance) C4'-P energy: -45.940 bonds (distance) P-C4' energy: -50.253 flat angles C4'-P-C4' energy: -47.122 flat angles P-C4'-P energy: -35.655 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: 1, replica: 8 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1192.760351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.760351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.760351 (E_RNA) where: Base-Base interactions energy: -829.921 where: short stacking energy: -375.992 Base-Backbone interact. energy: -1.640 local terms energy: -361.199866 where: bonds (distance) C4'-P energy: -61.692 bonds (distance) P-C4' energy: -64.007 flat angles C4'-P-C4' energy: -71.960 flat angles P-C4'-P energy: -55.109 tors. eta vs tors. theta energy: -108.432 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: 2, replica: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1127.337320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.337320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.337320 (E_RNA) where: Base-Base interactions energy: -781.620 where: short stacking energy: -335.204 Base-Backbone interact. energy: -1.591 local terms energy: -344.125723 where: bonds (distance) C4'-P energy: -64.912 bonds (distance) P-C4' energy: -66.411 flat angles C4'-P-C4' energy: -73.876 flat angles P-C4'-P energy: -48.637 tors. eta vs tors. theta energy: -90.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1036.901906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.901906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.901906 (E_RNA) where: Base-Base interactions energy: -720.885 where: short stacking energy: -305.128 Base-Backbone interact. energy: -2.376 local terms energy: -313.641014 where: bonds (distance) C4'-P energy: -58.703 bonds (distance) P-C4' energy: -51.032 flat angles C4'-P-C4' energy: -66.448 flat angles P-C4'-P energy: -46.733 tors. eta vs tors. theta energy: -90.725 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: 3 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -972.110920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.110920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.110920 (E_RNA) where: Base-Base interactions energy: -658.287 where: short stacking energy: -297.170 Base-Backbone interact. energy: -0.373 local terms energy: -313.451010 where: bonds (distance) C4'-P energy: -57.095 bonds (distance) P-C4' energy: -64.815 flat angles C4'-P-C4' energy: -67.555 flat angles P-C4'-P energy: -44.984 tors. eta vs tors. theta energy: -79.002 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: 9 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -893.131086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.131086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.131086 (E_RNA) where: Base-Base interactions energy: -594.518 where: short stacking energy: -259.415 Base-Backbone interact. energy: -2.669 local terms energy: -295.943306 where: bonds (distance) C4'-P energy: -61.857 bonds (distance) P-C4' energy: -49.710 flat angles C4'-P-C4' energy: -67.352 flat angles P-C4'-P energy: -42.022 tors. eta vs tors. theta energy: -75.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -848.579276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.579276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.579276 (E_RNA) where: Base-Base interactions energy: -581.949 where: short stacking energy: -248.533 Base-Backbone interact. energy: -1.542 local terms energy: -265.088873 where: bonds (distance) C4'-P energy: -53.982 bonds (distance) P-C4' energy: -55.886 flat angles C4'-P-C4' energy: -53.448 flat angles P-C4'-P energy: -35.583 tors. eta vs tors. theta energy: -66.190 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: 1 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -789.722085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.722085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.722085 (E_RNA) where: Base-Base interactions energy: -531.479 where: short stacking energy: -232.252 Base-Backbone interact. energy: -1.075 local terms energy: -257.168265 where: bonds (distance) C4'-P energy: -59.290 bonds (distance) P-C4' energy: -41.639 flat angles C4'-P-C4' energy: -65.971 flat angles P-C4'-P energy: -34.629 tors. eta vs tors. theta energy: -55.640 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: 4 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -736.680197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.680197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.680197 (E_RNA) where: Base-Base interactions energy: -476.276 where: short stacking energy: -224.110 Base-Backbone interact. energy: -2.076 local terms energy: -258.328181 where: bonds (distance) C4'-P energy: -51.580 bonds (distance) P-C4' energy: -63.793 flat angles C4'-P-C4' energy: -48.653 flat angles P-C4'-P energy: -38.359 tors. eta vs tors. theta energy: -55.943 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: 7 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -588.707710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.707710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.707710 (E_RNA) where: Base-Base interactions energy: -359.321 where: short stacking energy: -181.377 Base-Backbone interact. energy: -1.131 local terms energy: -228.256137 where: bonds (distance) C4'-P energy: -57.385 bonds (distance) P-C4' energy: -61.685 flat angles C4'-P-C4' energy: -51.777 flat angles P-C4'-P energy: -27.161 tors. eta vs tors. theta energy: -30.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -492.479930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.479930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.479930 (E_RNA) where: Base-Base interactions energy: -295.229 where: short stacking energy: -143.564 Base-Backbone interact. energy: -0.822 local terms energy: -196.428984 where: bonds (distance) C4'-P energy: -50.567 bonds (distance) P-C4' energy: -52.134 flat angles C4'-P-C4' energy: -30.630 flat angles P-C4'-P energy: -39.309 tors. eta vs tors. theta energy: -23.788 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: 8 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1181.708955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.708955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.708955 (E_RNA) where: Base-Base interactions energy: -815.995 where: short stacking energy: -349.193 Base-Backbone interact. energy: -0.135 local terms energy: -365.579386 where: bonds (distance) C4'-P energy: -57.270 bonds (distance) P-C4' energy: -65.467 flat angles C4'-P-C4' energy: -80.221 flat angles P-C4'-P energy: -56.303 tors. eta vs tors. theta energy: -106.318 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: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1124.602565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.602565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.602565 (E_RNA) where: Base-Base interactions energy: -772.057 where: short stacking energy: -345.574 Base-Backbone interact. energy: -0.774 local terms energy: -351.772401 where: bonds (distance) C4'-P energy: -72.112 bonds (distance) P-C4' energy: -64.830 flat angles C4'-P-C4' energy: -71.934 flat angles P-C4'-P energy: -45.739 tors. eta vs tors. theta energy: -97.158 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: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1053.115393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.115393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.115393 (E_RNA) where: Base-Base interactions energy: -710.061 where: short stacking energy: -325.745 Base-Backbone interact. energy: -1.076 local terms energy: -341.977789 where: bonds (distance) C4'-P energy: -70.590 bonds (distance) P-C4' energy: -60.820 flat angles C4'-P-C4' energy: -74.144 flat angles P-C4'-P energy: -45.895 tors. eta vs tors. theta energy: -90.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -994.290041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.290041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.290041 (E_RNA) where: Base-Base interactions energy: -673.571 where: short stacking energy: -298.847 Base-Backbone interact. energy: 1.252 local terms energy: -321.970809 where: bonds (distance) C4'-P energy: -62.077 bonds (distance) P-C4' energy: -66.051 flat angles C4'-P-C4' energy: -72.264 flat angles P-C4'-P energy: -38.786 tors. eta vs tors. theta energy: -82.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -904.903679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.903679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.903679 (E_RNA) where: Base-Base interactions energy: -605.510 where: short stacking energy: -259.290 Base-Backbone interact. energy: -0.811 local terms energy: -298.583266 where: bonds (distance) C4'-P energy: -65.241 bonds (distance) P-C4' energy: -62.999 flat angles C4'-P-C4' energy: -66.643 flat angles P-C4'-P energy: -39.043 tors. eta vs tors. theta energy: -64.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -837.875282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.875282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.875282 (E_RNA) where: Base-Base interactions energy: -545.964 where: short stacking energy: -243.920 Base-Backbone interact. energy: -0.717 local terms energy: -291.194852 where: bonds (distance) C4'-P energy: -63.431 bonds (distance) P-C4' energy: -57.614 flat angles C4'-P-C4' energy: -65.336 flat angles P-C4'-P energy: -52.278 tors. eta vs tors. theta energy: -52.535 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: 1 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -813.202653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.202653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.202653 (E_RNA) where: Base-Base interactions energy: -532.911 where: short stacking energy: -226.119 Base-Backbone interact. energy: -0.473 local terms energy: -279.818087 where: bonds (distance) C4'-P energy: -67.207 bonds (distance) P-C4' energy: -52.871 flat angles C4'-P-C4' energy: -53.128 flat angles P-C4'-P energy: -43.409 tors. eta vs tors. theta energy: -63.203 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: 4 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -720.324007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.324007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.324007 (E_RNA) where: Base-Base interactions energy: -460.310 where: short stacking energy: -217.838 Base-Backbone interact. energy: -0.342 local terms energy: -259.672775 where: bonds (distance) C4'-P energy: -45.408 bonds (distance) P-C4' energy: -59.436 flat angles C4'-P-C4' energy: -62.188 flat angles P-C4'-P energy: -39.304 tors. eta vs tors. theta energy: -53.337 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: 7 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -607.047533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.047533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.047533 (E_RNA) where: Base-Base interactions energy: -362.106 where: short stacking energy: -176.701 Base-Backbone interact. energy: -1.894 local terms energy: -243.048022 where: bonds (distance) C4'-P energy: -56.498 bonds (distance) P-C4' energy: -54.860 flat angles C4'-P-C4' energy: -58.078 flat angles P-C4'-P energy: -41.554 tors. eta vs tors. theta energy: -32.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -477.062851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.062851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.062851 (E_RNA) where: Base-Base interactions energy: -270.697 where: short stacking energy: -134.433 Base-Backbone interact. energy: 0.586 local terms energy: -206.951817 where: bonds (distance) C4'-P energy: -50.539 bonds (distance) P-C4' energy: -50.675 flat angles C4'-P-C4' energy: -60.587 flat angles P-C4'-P energy: -33.341 tors. eta vs tors. theta energy: -11.811 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: 1, replica: 8 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1158.914527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.914527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.914527 (E_RNA) where: Base-Base interactions energy: -830.076 where: short stacking energy: -343.254 Base-Backbone interact. energy: -1.239 local terms energy: -327.599295 where: bonds (distance) C4'-P energy: -60.003 bonds (distance) P-C4' energy: -57.800 flat angles C4'-P-C4' energy: -74.434 flat angles P-C4'-P energy: -48.967 tors. eta vs tors. theta energy: -86.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1132.062009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.062009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.062009 (E_RNA) where: Base-Base interactions energy: -804.426 where: short stacking energy: -340.326 Base-Backbone interact. energy: -0.930 local terms energy: -326.706936 where: bonds (distance) C4'-P energy: -55.518 bonds (distance) P-C4' energy: -57.024 flat angles C4'-P-C4' energy: -68.177 flat angles P-C4'-P energy: -51.623 tors. eta vs tors. theta energy: -94.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1067.674369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.674369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.674369 (E_RNA) where: Base-Base interactions energy: -720.097 where: short stacking energy: -297.501 Base-Backbone interact. energy: -1.289 local terms energy: -346.288123 where: bonds (distance) C4'-P energy: -58.166 bonds (distance) P-C4' energy: -70.466 flat angles C4'-P-C4' energy: -72.953 flat angles P-C4'-P energy: -45.813 tors. eta vs tors. theta energy: -98.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -987.571848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.571848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.571848 (E_RNA) where: Base-Base interactions energy: -669.647 where: short stacking energy: -294.835 Base-Backbone interact. energy: -0.688 local terms energy: -317.237218 where: bonds (distance) C4'-P energy: -59.526 bonds (distance) P-C4' energy: -54.705 flat angles C4'-P-C4' energy: -63.587 flat angles P-C4'-P energy: -49.554 tors. eta vs tors. theta energy: -89.866 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: 5 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -887.470179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.470179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.470179 (E_RNA) where: Base-Base interactions energy: -604.597 where: short stacking energy: -260.590 Base-Backbone interact. energy: 0.020 local terms energy: -282.893594 where: bonds (distance) C4'-P energy: -53.487 bonds (distance) P-C4' energy: -61.636 flat angles C4'-P-C4' energy: -70.738 flat angles P-C4'-P energy: -40.844 tors. eta vs tors. theta energy: -56.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -859.093394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.093394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.093394 (E_RNA) where: Base-Base interactions energy: -568.928 where: short stacking energy: -252.744 Base-Backbone interact. energy: -2.433 local terms energy: -287.732691 where: bonds (distance) C4'-P energy: -61.285 bonds (distance) P-C4' energy: -45.942 flat angles C4'-P-C4' energy: -70.621 flat angles P-C4'-P energy: -41.469 tors. eta vs tors. theta energy: -68.415 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: 1 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -795.643285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.643285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.643285 (E_RNA) where: Base-Base interactions energy: -513.921 where: short stacking energy: -212.552 Base-Backbone interact. energy: 6.425 local terms energy: -288.147881 where: bonds (distance) C4'-P energy: -56.291 bonds (distance) P-C4' energy: -58.517 flat angles C4'-P-C4' energy: -69.353 flat angles P-C4'-P energy: -45.278 tors. eta vs tors. theta energy: -58.709 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: 217 Temperature: 1.250000 Total energy: -756.930350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.930350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.930350 (E_RNA) where: Base-Base interactions energy: -505.415 where: short stacking energy: -218.486 Base-Backbone interact. energy: 1.554 local terms energy: -253.069145 where: bonds (distance) C4'-P energy: -59.613 bonds (distance) P-C4' energy: -55.583 flat angles C4'-P-C4' energy: -58.358 flat angles P-C4'-P energy: -28.929 tors. eta vs tors. theta energy: -50.586 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: 217 Temperature: 1.300000 Total energy: -595.281359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.281359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.281359 (E_RNA) where: Base-Base interactions energy: -377.049 where: short stacking energy: -163.209 Base-Backbone interact. energy: 4.745 local terms energy: -222.976810 where: bonds (distance) C4'-P energy: -59.973 bonds (distance) P-C4' energy: -60.091 flat angles C4'-P-C4' energy: -37.890 flat angles P-C4'-P energy: -37.619 tors. eta vs tors. theta energy: -27.403 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: 2 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -402.459391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.459391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.459391 (E_RNA) where: Base-Base interactions energy: -221.155 where: short stacking energy: -132.258 Base-Backbone interact. energy: -1.433 local terms energy: -179.871922 where: bonds (distance) C4'-P energy: -48.717 bonds (distance) P-C4' energy: -42.958 flat angles C4'-P-C4' energy: -46.224 flat angles P-C4'-P energy: -34.483 tors. eta vs tors. theta energy: -7.490 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: 1, replica: 8 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1188.018799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.018799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.018799 (E_RNA) where: Base-Base interactions energy: -816.805 where: short stacking energy: -333.883 Base-Backbone interact. energy: -3.146 local terms energy: -368.068016 where: bonds (distance) C4'-P energy: -58.843 bonds (distance) P-C4' energy: -71.777 flat angles C4'-P-C4' energy: -80.578 flat angles P-C4'-P energy: -60.585 tors. eta vs tors. theta energy: -96.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1123.562906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.562906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.562906 (E_RNA) where: Base-Base interactions energy: -791.858 where: short stacking energy: -343.637 Base-Backbone interact. energy: -0.317 local terms energy: -331.387653 where: bonds (distance) C4'-P energy: -59.825 bonds (distance) P-C4' energy: -60.173 flat angles C4'-P-C4' energy: -72.771 flat angles P-C4'-P energy: -39.789 tors. eta vs tors. theta energy: -98.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1027.452135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.452135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.452135 (E_RNA) where: Base-Base interactions energy: -717.896 where: short stacking energy: -291.227 Base-Backbone interact. energy: -1.046 local terms energy: -308.510256 where: bonds (distance) C4'-P energy: -62.059 bonds (distance) P-C4' energy: -56.132 flat angles C4'-P-C4' energy: -68.547 flat angles P-C4'-P energy: -43.015 tors. eta vs tors. theta energy: -78.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -981.638320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.638320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.638320 (E_RNA) where: Base-Base interactions energy: -676.040 where: short stacking energy: -296.260 Base-Backbone interact. energy: -0.533 local terms energy: -305.065131 where: bonds (distance) C4'-P energy: -63.690 bonds (distance) P-C4' energy: -55.949 flat angles C4'-P-C4' energy: -60.497 flat angles P-C4'-P energy: -40.690 tors. eta vs tors. theta energy: -84.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -876.705277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.705277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.705277 (E_RNA) where: Base-Base interactions energy: -583.475 where: short stacking energy: -264.675 Base-Backbone interact. energy: 0.710 local terms energy: -293.940791 where: bonds (distance) C4'-P energy: -50.247 bonds (distance) P-C4' energy: -58.392 flat angles C4'-P-C4' energy: -70.102 flat angles P-C4'-P energy: -44.764 tors. eta vs tors. theta energy: -70.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -846.426427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.426427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.426427 (E_RNA) where: Base-Base interactions energy: -563.155 where: short stacking energy: -229.452 Base-Backbone interact. energy: 2.890 local terms energy: -286.162355 where: bonds (distance) C4'-P energy: -51.580 bonds (distance) P-C4' energy: -58.000 flat angles C4'-P-C4' energy: -65.412 flat angles P-C4'-P energy: -50.510 tors. eta vs tors. theta energy: -60.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -827.819776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.819776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.819776 (E_RNA) where: Base-Base interactions energy: -556.234 where: short stacking energy: -224.584 Base-Backbone interact. energy: -1.427 local terms energy: -270.158326 where: bonds (distance) C4'-P energy: -62.707 bonds (distance) P-C4' energy: -51.488 flat angles C4'-P-C4' energy: -57.757 flat angles P-C4'-P energy: -34.981 tors. eta vs tors. theta energy: -63.226 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: 8, replica: 4 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -726.250860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.250860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.250860 (E_RNA) where: Base-Base interactions energy: -475.699 where: short stacking energy: -224.700 Base-Backbone interact. energy: -0.778 local terms energy: -249.774477 where: bonds (distance) C4'-P energy: -54.273 bonds (distance) P-C4' energy: -46.315 flat angles C4'-P-C4' energy: -61.921 flat angles P-C4'-P energy: -28.791 tors. eta vs tors. theta energy: -58.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -552.884802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.884802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.884802 (E_RNA) where: Base-Base interactions energy: -337.175 where: short stacking energy: -151.990 Base-Backbone interact. energy: -0.495 local terms energy: -215.214290 where: bonds (distance) C4'-P energy: -42.750 bonds (distance) P-C4' energy: -58.207 flat angles C4'-P-C4' energy: -54.457 flat angles P-C4'-P energy: -23.753 tors. eta vs tors. theta energy: -36.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -389.710029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.710029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.710029 (E_RNA) where: Base-Base interactions energy: -206.735 where: short stacking energy: -130.859 Base-Backbone interact. energy: -0.906 local terms energy: -182.069767 where: bonds (distance) C4'-P energy: -50.840 bonds (distance) P-C4' energy: -52.164 flat angles C4'-P-C4' energy: -48.666 flat angles P-C4'-P energy: -25.057 tors. eta vs tors. theta energy: -5.342 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: 1, replica: 8 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1170.310783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.310783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.310783 (E_RNA) where: Base-Base interactions energy: -814.553 where: short stacking energy: -346.827 Base-Backbone interact. energy: -4.080 local terms energy: -351.677961 where: bonds (distance) C4'-P energy: -63.130 bonds (distance) P-C4' energy: -63.786 flat angles C4'-P-C4' energy: -80.156 flat angles P-C4'-P energy: -45.009 tors. eta vs tors. theta energy: -99.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1135.040653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.040653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.040653 (E_RNA) where: Base-Base interactions energy: -782.655 where: short stacking energy: -319.981 Base-Backbone interact. energy: -1.766 local terms energy: -350.620250 where: bonds (distance) C4'-P energy: -70.380 bonds (distance) P-C4' energy: -68.169 flat angles C4'-P-C4' energy: -58.910 flat angles P-C4'-P energy: -57.553 tors. eta vs tors. theta energy: -95.607 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: 6 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1016.749153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.749153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.749153 (E_RNA) where: Base-Base interactions energy: -708.321 where: short stacking energy: -289.098 Base-Backbone interact. energy: -1.105 local terms energy: -307.323118 where: bonds (distance) C4'-P energy: -61.397 bonds (distance) P-C4' energy: -54.737 flat angles C4'-P-C4' energy: -65.805 flat angles P-C4'-P energy: -46.754 tors. eta vs tors. theta energy: -78.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -987.121689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.121689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.121689 (E_RNA) where: Base-Base interactions energy: -681.234 where: short stacking energy: -293.913 Base-Backbone interact. energy: -2.872 local terms energy: -303.015090 where: bonds (distance) C4'-P energy: -70.391 bonds (distance) P-C4' energy: -60.893 flat angles C4'-P-C4' energy: -60.177 flat angles P-C4'-P energy: -37.227 tors. eta vs tors. theta energy: -74.328 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: 9 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -915.954250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.954250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.954250 (E_RNA) where: Base-Base interactions energy: -604.296 where: short stacking energy: -272.540 Base-Backbone interact. energy: -1.019 local terms energy: -310.639820 where: bonds (distance) C4'-P energy: -64.180 bonds (distance) P-C4' energy: -66.034 flat angles C4'-P-C4' energy: -63.735 flat angles P-C4'-P energy: -39.344 tors. eta vs tors. theta energy: -77.346 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: 219 Temperature: 1.150000 Total energy: -855.056468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.056468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.056468 (E_RNA) where: Base-Base interactions energy: -580.669 where: short stacking energy: -261.964 Base-Backbone interact. energy: -0.968 local terms energy: -273.420153 where: bonds (distance) C4'-P energy: -53.151 bonds (distance) P-C4' energy: -50.349 flat angles C4'-P-C4' energy: -65.777 flat angles P-C4'-P energy: -37.822 tors. eta vs tors. theta energy: -66.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -829.854985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.854985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.854985 (E_RNA) where: Base-Base interactions energy: -567.296 where: short stacking energy: -252.823 Base-Backbone interact. energy: -1.426 local terms energy: -261.132580 where: bonds (distance) C4'-P energy: -59.294 bonds (distance) P-C4' energy: -46.815 flat angles C4'-P-C4' energy: -60.833 flat angles P-C4'-P energy: -34.335 tors. eta vs tors. theta energy: -59.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -738.289321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.289321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.289321 (E_RNA) where: Base-Base interactions energy: -489.189 where: short stacking energy: -221.825 Base-Backbone interact. energy: 9.768 local terms energy: -258.867685 where: bonds (distance) C4'-P energy: -52.904 bonds (distance) P-C4' energy: -54.503 flat angles C4'-P-C4' energy: -56.530 flat angles P-C4'-P energy: -37.673 tors. eta vs tors. theta energy: -57.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -589.280307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.280307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.280307 (E_RNA) where: Base-Base interactions energy: -373.981 where: short stacking energy: -152.224 Base-Backbone interact. energy: 1.102 local terms energy: -216.401022 where: bonds (distance) C4'-P energy: -60.321 bonds (distance) P-C4' energy: -58.948 flat angles C4'-P-C4' energy: -51.875 flat angles P-C4'-P energy: -23.187 tors. eta vs tors. theta energy: -22.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -359.378494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.378494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.378494 (E_RNA) where: Base-Base interactions energy: -197.350 where: short stacking energy: -94.390 Base-Backbone interact. energy: 4.160 local terms energy: -166.188548 where: bonds (distance) C4'-P energy: -47.877 bonds (distance) P-C4' energy: -53.984 flat angles C4'-P-C4' energy: -52.581 flat angles P-C4'-P energy: -15.484 tors. eta vs tors. theta energy: 3.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1181.657929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.657929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.657929 (E_RNA) where: Base-Base interactions energy: -821.945 where: short stacking energy: -344.443 Base-Backbone interact. energy: -1.275 local terms energy: -358.437487 where: bonds (distance) C4'-P energy: -64.280 bonds (distance) P-C4' energy: -57.447 flat angles C4'-P-C4' energy: -80.796 flat angles P-C4'-P energy: -50.205 tors. eta vs tors. theta energy: -105.710 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: 10 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1132.310967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.310967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.310967 (E_RNA) where: Base-Base interactions energy: -776.500 where: short stacking energy: -317.034 Base-Backbone interact. energy: -1.300 local terms energy: -354.510511 where: bonds (distance) C4'-P energy: -64.432 bonds (distance) P-C4' energy: -67.287 flat angles C4'-P-C4' energy: -74.480 flat angles P-C4'-P energy: -51.508 tors. eta vs tors. theta energy: -96.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1039.464994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.464994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.464994 (E_RNA) where: Base-Base interactions energy: -704.419 where: short stacking energy: -302.848 Base-Backbone interact. energy: -4.067 local terms energy: -330.978429 where: bonds (distance) C4'-P energy: -65.831 bonds (distance) P-C4' energy: -60.934 flat angles C4'-P-C4' energy: -65.352 flat angles P-C4'-P energy: -43.940 tors. eta vs tors. theta energy: -94.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -997.757321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.757321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.757321 (E_RNA) where: Base-Base interactions energy: -689.873 where: short stacking energy: -292.209 Base-Backbone interact. energy: -1.098 local terms energy: -306.785981 where: bonds (distance) C4'-P energy: -57.727 bonds (distance) P-C4' energy: -64.247 flat angles C4'-P-C4' energy: -65.250 flat angles P-C4'-P energy: -41.693 tors. eta vs tors. theta energy: -77.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -894.698010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.698010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.698010 (E_RNA) where: Base-Base interactions energy: -603.400 where: short stacking energy: -269.331 Base-Backbone interact. energy: -2.154 local terms energy: -289.143926 where: bonds (distance) C4'-P energy: -56.416 bonds (distance) P-C4' energy: -62.945 flat angles C4'-P-C4' energy: -58.989 flat angles P-C4'-P energy: -38.990 tors. eta vs tors. theta energy: -71.804 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: 9 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -874.794929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.794929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.794929 (E_RNA) where: Base-Base interactions energy: -597.298 where: short stacking energy: -272.153 Base-Backbone interact. energy: -0.052 local terms energy: -277.444649 where: bonds (distance) C4'-P energy: -48.202 bonds (distance) P-C4' energy: -50.601 flat angles C4'-P-C4' energy: -58.145 flat angles P-C4'-P energy: -40.510 tors. eta vs tors. theta energy: -79.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -845.622635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.622635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.622635 (E_RNA) where: Base-Base interactions energy: -576.242 where: short stacking energy: -266.240 Base-Backbone interact. energy: -1.183 local terms energy: -268.197834 where: bonds (distance) C4'-P energy: -44.196 bonds (distance) P-C4' energy: -48.352 flat angles C4'-P-C4' energy: -65.007 flat angles P-C4'-P energy: -32.802 tors. eta vs tors. theta energy: -77.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -727.814469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.814469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.814469 (E_RNA) where: Base-Base interactions energy: -485.574 where: short stacking energy: -201.578 Base-Backbone interact. energy: -0.522 local terms energy: -241.718251 where: bonds (distance) C4'-P energy: -62.344 bonds (distance) P-C4' energy: -49.412 flat angles C4'-P-C4' energy: -42.546 flat angles P-C4'-P energy: -37.926 tors. eta vs tors. theta energy: -49.490 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: 9, replica: 7 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -618.838329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.838329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.838329 (E_RNA) where: Base-Base interactions energy: -381.769 where: short stacking energy: -186.332 Base-Backbone interact. energy: -2.156 local terms energy: -234.913565 where: bonds (distance) C4'-P energy: -50.670 bonds (distance) P-C4' energy: -60.288 flat angles C4'-P-C4' energy: -46.649 flat angles P-C4'-P energy: -38.017 tors. eta vs tors. theta energy: -39.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -404.794259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.794259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.794259 (E_RNA) where: Base-Base interactions energy: -202.213 where: short stacking energy: -115.473 Base-Backbone interact. energy: 2.709 local terms energy: -205.290109 where: bonds (distance) C4'-P energy: -48.459 bonds (distance) P-C4' energy: -58.214 flat angles C4'-P-C4' energy: -60.264 flat angles P-C4'-P energy: -35.572 tors. eta vs tors. theta energy: -2.780 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: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1179.368441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.368441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.368441 (E_RNA) where: Base-Base interactions energy: -813.307 where: short stacking energy: -334.395 Base-Backbone interact. energy: -3.783 local terms energy: -362.279139 where: bonds (distance) C4'-P energy: -54.919 bonds (distance) P-C4' energy: -70.741 flat angles C4'-P-C4' energy: -76.524 flat angles P-C4'-P energy: -58.732 tors. eta vs tors. theta energy: -101.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1136.853842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.853842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.853842 (E_RNA) where: Base-Base interactions energy: -777.148 where: short stacking energy: -312.644 Base-Backbone interact. energy: -2.519 local terms energy: -357.186620 where: bonds (distance) C4'-P energy: -64.260 bonds (distance) P-C4' energy: -71.509 flat angles C4'-P-C4' energy: -74.822 flat angles P-C4'-P energy: -50.623 tors. eta vs tors. theta energy: -95.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1050.376301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.376301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.376301 (E_RNA) where: Base-Base interactions energy: -733.703 where: short stacking energy: -315.894 Base-Backbone interact. energy: -1.574 local terms energy: -315.099144 where: bonds (distance) C4'-P energy: -55.502 bonds (distance) P-C4' energy: -55.478 flat angles C4'-P-C4' energy: -67.885 flat angles P-C4'-P energy: -41.748 tors. eta vs tors. theta energy: -94.486 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: 6 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -992.022551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.022551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.022551 (E_RNA) where: Base-Base interactions energy: -677.100 where: short stacking energy: -278.453 Base-Backbone interact. energy: 1.704 local terms energy: -316.626775 where: bonds (distance) C4'-P energy: -71.092 bonds (distance) P-C4' energy: -60.168 flat angles C4'-P-C4' energy: -60.579 flat angles P-C4'-P energy: -45.694 tors. eta vs tors. theta energy: -79.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -887.630366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.630366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.630366 (E_RNA) where: Base-Base interactions energy: -579.953 where: short stacking energy: -250.749 Base-Backbone interact. energy: -3.228 local terms energy: -304.449328 where: bonds (distance) C4'-P energy: -62.257 bonds (distance) P-C4' energy: -64.228 flat angles C4'-P-C4' energy: -70.510 flat angles P-C4'-P energy: -46.231 tors. eta vs tors. theta energy: -61.223 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: 9 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -856.861241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.861241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.861241 (E_RNA) where: Base-Base interactions energy: -568.182 where: short stacking energy: -264.238 Base-Backbone interact. energy: -0.789 local terms energy: -287.889665 where: bonds (distance) C4'-P energy: -57.150 bonds (distance) P-C4' energy: -54.828 flat angles C4'-P-C4' energy: -58.348 flat angles P-C4'-P energy: -41.934 tors. eta vs tors. theta energy: -75.629 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: 5 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -841.066930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.066930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.066930 (E_RNA) where: Base-Base interactions energy: -563.899 where: short stacking energy: -261.216 Base-Backbone interact. energy: 0.141 local terms energy: -277.308813 where: bonds (distance) C4'-P energy: -60.343 bonds (distance) P-C4' energy: -62.682 flat angles C4'-P-C4' energy: -62.727 flat angles P-C4'-P energy: -26.403 tors. eta vs tors. theta energy: -65.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -691.764970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.764970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.764970 (E_RNA) where: Base-Base interactions energy: -448.166 where: short stacking energy: -200.460 Base-Backbone interact. energy: -0.553 local terms energy: -243.046438 where: bonds (distance) C4'-P energy: -54.753 bonds (distance) P-C4' energy: -52.929 flat angles C4'-P-C4' energy: -60.183 flat angles P-C4'-P energy: -26.565 tors. eta vs tors. theta energy: -48.616 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: 7 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -551.707657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.707657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.707657 (E_RNA) where: Base-Base interactions energy: -351.640 where: short stacking energy: -158.594 Base-Backbone interact. energy: 1.165 local terms energy: -201.232137 where: bonds (distance) C4'-P energy: -56.337 bonds (distance) P-C4' energy: -57.940 flat angles C4'-P-C4' energy: -48.939 flat angles P-C4'-P energy: -21.184 tors. eta vs tors. theta energy: -16.832 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: 2 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -380.553363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.553363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.553363 (E_RNA) where: Base-Base interactions energy: -192.647 where: short stacking energy: -117.060 Base-Backbone interact. energy: 2.185 local terms energy: -190.091481 where: bonds (distance) C4'-P energy: -57.593 bonds (distance) P-C4' energy: -49.496 flat angles C4'-P-C4' energy: -51.692 flat angles P-C4'-P energy: -14.176 tors. eta vs tors. theta energy: -17.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1177.695329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.695329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.695329 (E_RNA) where: Base-Base interactions energy: -791.945 where: short stacking energy: -342.787 Base-Backbone interact. energy: -0.957 local terms energy: -384.792852 where: bonds (distance) C4'-P energy: -78.410 bonds (distance) P-C4' energy: -69.111 flat angles C4'-P-C4' energy: -76.191 flat angles P-C4'-P energy: -57.473 tors. eta vs tors. theta energy: -103.608 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: 2, replica: 10 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1133.800596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.800596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.800596 (E_RNA) where: Base-Base interactions energy: -786.489 where: short stacking energy: -321.237 Base-Backbone interact. energy: -1.235 local terms energy: -346.076787 where: bonds (distance) C4'-P energy: -64.448 bonds (distance) P-C4' energy: -58.820 flat angles C4'-P-C4' energy: -69.652 flat angles P-C4'-P energy: -53.403 tors. eta vs tors. theta energy: -99.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1055.709541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.709541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.709541 (E_RNA) where: Base-Base interactions energy: -734.975 where: short stacking energy: -308.233 Base-Backbone interact. energy: -0.684 local terms energy: -320.050674 where: bonds (distance) C4'-P energy: -58.601 bonds (distance) P-C4' energy: -58.301 flat angles C4'-P-C4' energy: -72.155 flat angles P-C4'-P energy: -41.153 tors. eta vs tors. theta energy: -89.841 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: 6 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -990.548835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.548835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.548835 (E_RNA) where: Base-Base interactions energy: -685.760 where: short stacking energy: -295.249 Base-Backbone interact. energy: 0.637 local terms energy: -305.425043 where: bonds (distance) C4'-P energy: -47.458 bonds (distance) P-C4' energy: -58.420 flat angles C4'-P-C4' energy: -73.961 flat angles P-C4'-P energy: -43.756 tors. eta vs tors. theta energy: -81.831 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: 5, replica: 9 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -882.527753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.527753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.527753 (E_RNA) where: Base-Base interactions energy: -590.400 where: short stacking energy: -259.652 Base-Backbone interact. energy: -1.455 local terms energy: -290.673437 where: bonds (distance) C4'-P energy: -58.100 bonds (distance) P-C4' energy: -56.365 flat angles C4'-P-C4' energy: -66.991 flat angles P-C4'-P energy: -34.772 tors. eta vs tors. theta energy: -74.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -816.727482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.727482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.727482 (E_RNA) where: Base-Base interactions energy: -519.781 where: short stacking energy: -222.052 Base-Backbone interact. energy: -2.842 local terms energy: -294.104128 where: bonds (distance) C4'-P energy: -60.627 bonds (distance) P-C4' energy: -63.186 flat angles C4'-P-C4' energy: -63.382 flat angles P-C4'-P energy: -48.938 tors. eta vs tors. theta energy: -57.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -841.052860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.052860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.052860 (E_RNA) where: Base-Base interactions energy: -552.464 where: short stacking energy: -240.954 Base-Backbone interact. energy: 0.832 local terms energy: -289.420948 where: bonds (distance) C4'-P energy: -52.430 bonds (distance) P-C4' energy: -69.582 flat angles C4'-P-C4' energy: -58.529 flat angles P-C4'-P energy: -47.037 tors. eta vs tors. theta energy: -61.843 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: 4 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -763.482564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.482564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.482564 (E_RNA) where: Base-Base interactions energy: -518.774 where: short stacking energy: -234.515 Base-Backbone interact. energy: 0.295 local terms energy: -245.003907 where: bonds (distance) C4'-P energy: -49.179 bonds (distance) P-C4' energy: -49.336 flat angles C4'-P-C4' energy: -50.982 flat angles P-C4'-P energy: -45.691 tors. eta vs tors. theta energy: -49.816 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: 7 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -558.847467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.847467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.847467 (E_RNA) where: Base-Base interactions energy: -345.833 where: short stacking energy: -164.328 Base-Backbone interact. energy: -0.802 local terms energy: -212.212321 where: bonds (distance) C4'-P energy: -48.284 bonds (distance) P-C4' energy: -60.999 flat angles C4'-P-C4' energy: -54.655 flat angles P-C4'-P energy: -25.645 tors. eta vs tors. theta energy: -22.629 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: 2 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -385.687729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.687729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.687729 (E_RNA) where: Base-Base interactions energy: -211.099 where: short stacking energy: -105.338 Base-Backbone interact. energy: -0.178 local terms energy: -174.410992 where: bonds (distance) C4'-P energy: -50.326 bonds (distance) P-C4' energy: -37.238 flat angles C4'-P-C4' energy: -41.569 flat angles P-C4'-P energy: -33.762 tors. eta vs tors. theta energy: -11.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1161.373577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.373577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.373577 (E_RNA) where: Base-Base interactions energy: -798.085 where: short stacking energy: -349.221 Base-Backbone interact. energy: -1.121 local terms energy: -362.167160 where: bonds (distance) C4'-P energy: -56.787 bonds (distance) P-C4' energy: -70.096 flat angles C4'-P-C4' energy: -70.227 flat angles P-C4'-P energy: -59.550 tors. eta vs tors. theta energy: -105.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1125.241230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.241230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.241230 (E_RNA) where: Base-Base interactions energy: -782.901 where: short stacking energy: -333.636 Base-Backbone interact. energy: -0.985 local terms energy: -341.354955 where: bonds (distance) C4'-P energy: -67.402 bonds (distance) P-C4' energy: -62.472 flat angles C4'-P-C4' energy: -65.685 flat angles P-C4'-P energy: -47.458 tors. eta vs tors. theta energy: -98.337 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: 3 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1032.071216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.071216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.071216 (E_RNA) where: Base-Base interactions energy: -683.430 where: short stacking energy: -320.143 Base-Backbone interact. energy: -0.676 local terms energy: -347.965207 where: bonds (distance) C4'-P energy: -63.197 bonds (distance) P-C4' energy: -67.506 flat angles C4'-P-C4' energy: -71.773 flat angles P-C4'-P energy: -45.446 tors. eta vs tors. theta energy: -100.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1013.739315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.739315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.739315 (E_RNA) where: Base-Base interactions energy: -694.225 where: short stacking energy: -283.471 Base-Backbone interact. energy: -0.927 local terms energy: -318.587071 where: bonds (distance) C4'-P energy: -56.799 bonds (distance) P-C4' energy: -62.547 flat angles C4'-P-C4' energy: -73.220 flat angles P-C4'-P energy: -44.588 tors. eta vs tors. theta energy: -81.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -883.932488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.932488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.932488 (E_RNA) where: Base-Base interactions energy: -594.105 where: short stacking energy: -279.708 Base-Backbone interact. energy: -0.712 local terms energy: -289.115497 where: bonds (distance) C4'-P energy: -54.069 bonds (distance) P-C4' energy: -50.187 flat angles C4'-P-C4' energy: -72.364 flat angles P-C4'-P energy: -38.630 tors. eta vs tors. theta energy: -73.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -891.109912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.109912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.109912 (E_RNA) where: Base-Base interactions energy: -590.313 where: short stacking energy: -244.153 Base-Backbone interact. energy: 1.422 local terms energy: -302.218422 where: bonds (distance) C4'-P energy: -61.554 bonds (distance) P-C4' energy: -58.194 flat angles C4'-P-C4' energy: -62.074 flat angles P-C4'-P energy: -46.799 tors. eta vs tors. theta energy: -73.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -850.448859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.448859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.448859 (E_RNA) where: Base-Base interactions energy: -566.758 where: short stacking energy: -252.861 Base-Backbone interact. energy: -1.184 local terms energy: -282.506632 where: bonds (distance) C4'-P energy: -44.455 bonds (distance) P-C4' energy: -61.850 flat angles C4'-P-C4' energy: -76.747 flat angles P-C4'-P energy: -42.154 tors. eta vs tors. theta energy: -57.302 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: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -733.717234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.717234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.717234 (E_RNA) where: Base-Base interactions energy: -483.681 where: short stacking energy: -208.630 Base-Backbone interact. energy: 2.786 local terms energy: -252.822320 where: bonds (distance) C4'-P energy: -52.369 bonds (distance) P-C4' energy: -53.508 flat angles C4'-P-C4' energy: -62.176 flat angles P-C4'-P energy: -33.136 tors. eta vs tors. theta energy: -51.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -563.336562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.336562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.336562 (E_RNA) where: Base-Base interactions energy: -362.594 where: short stacking energy: -146.601 Base-Backbone interact. energy: -0.166 local terms energy: -200.576659 where: bonds (distance) C4'-P energy: -37.948 bonds (distance) P-C4' energy: -58.926 flat angles C4'-P-C4' energy: -47.653 flat angles P-C4'-P energy: -37.235 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: 10, replica: 2 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -386.290182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.290182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.290182 (E_RNA) where: Base-Base interactions energy: -214.861 where: short stacking energy: -124.037 Base-Backbone interact. energy: -2.710 local terms energy: -168.720008 where: bonds (distance) C4'-P energy: -45.497 bonds (distance) P-C4' energy: -53.563 flat angles C4'-P-C4' energy: -48.659 flat angles P-C4'-P energy: -12.174 tors. eta vs tors. theta energy: -8.827 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: 8 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1161.244546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.244546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.244546 (E_RNA) where: Base-Base interactions energy: -819.206 where: short stacking energy: -351.408 Base-Backbone interact. energy: -1.650 local terms energy: -340.389132 where: bonds (distance) C4'-P energy: -58.685 bonds (distance) P-C4' energy: -59.108 flat angles C4'-P-C4' energy: -72.333 flat angles P-C4'-P energy: -48.751 tors. eta vs tors. theta energy: -101.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1124.066521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.066521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.066521 (E_RNA) where: Base-Base interactions energy: -772.140 where: short stacking energy: -319.887 Base-Backbone interact. energy: 0.741 local terms energy: -352.667685 where: bonds (distance) C4'-P energy: -75.112 bonds (distance) P-C4' energy: -72.801 flat angles C4'-P-C4' energy: -67.134 flat angles P-C4'-P energy: -44.474 tors. eta vs tors. theta energy: -93.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1055.351360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.351360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.351360 (E_RNA) where: Base-Base interactions energy: -712.751 where: short stacking energy: -314.012 Base-Backbone interact. energy: -0.869 local terms energy: -341.730940 where: bonds (distance) C4'-P energy: -61.945 bonds (distance) P-C4' energy: -57.481 flat angles C4'-P-C4' energy: -69.761 flat angles P-C4'-P energy: -52.501 tors. eta vs tors. theta energy: -100.042 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: 6 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1029.091538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.091538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.091538 (E_RNA) where: Base-Base interactions energy: -705.150 where: short stacking energy: -305.474 Base-Backbone interact. energy: -0.743 local terms energy: -323.198502 where: bonds (distance) C4'-P energy: -65.958 bonds (distance) P-C4' energy: -56.763 flat angles C4'-P-C4' energy: -76.336 flat angles P-C4'-P energy: -36.723 tors. eta vs tors. theta energy: -87.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -886.673007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.673007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.673007 (E_RNA) where: Base-Base interactions energy: -600.270 where: short stacking energy: -258.538 Base-Backbone interact. energy: 0.615 local terms energy: -287.018392 where: bonds (distance) C4'-P energy: -46.585 bonds (distance) P-C4' energy: -61.682 flat angles C4'-P-C4' energy: -63.627 flat angles P-C4'-P energy: -45.230 tors. eta vs tors. theta energy: -69.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -861.764876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.764876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.764876 (E_RNA) where: Base-Base interactions energy: -575.878 where: short stacking energy: -270.184 Base-Backbone interact. energy: 0.238 local terms energy: -286.125006 where: bonds (distance) C4'-P energy: -52.063 bonds (distance) P-C4' energy: -58.894 flat angles C4'-P-C4' energy: -62.079 flat angles P-C4'-P energy: -41.932 tors. eta vs tors. theta energy: -71.157 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: 7, replica: 1 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -809.451728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.451728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.451728 (E_RNA) where: Base-Base interactions energy: -520.045 where: short stacking energy: -234.634 Base-Backbone interact. energy: 0.212 local terms energy: -289.618488 where: bonds (distance) C4'-P energy: -65.242 bonds (distance) P-C4' energy: -51.903 flat angles C4'-P-C4' energy: -68.334 flat angles P-C4'-P energy: -45.979 tors. eta vs tors. theta energy: -58.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -751.641672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.641672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.641672 (E_RNA) where: Base-Base interactions energy: -486.773 where: short stacking energy: -210.743 Base-Backbone interact. energy: -0.190 local terms energy: -264.678065 where: bonds (distance) C4'-P energy: -54.149 bonds (distance) P-C4' energy: -62.265 flat angles C4'-P-C4' energy: -56.989 flat angles P-C4'-P energy: -33.099 tors. eta vs tors. theta energy: -58.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -381.312928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.312928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.312928 (E_RNA) where: Base-Base interactions energy: -179.969 where: short stacking energy: -123.836 Base-Backbone interact. energy: -2.521 local terms energy: -198.822283 where: bonds (distance) C4'-P energy: -42.844 bonds (distance) P-C4' energy: -68.307 flat angles C4'-P-C4' energy: -50.889 flat angles P-C4'-P energy: -27.030 tors. eta vs tors. theta energy: -9.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -546.951831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.951831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.951831 (E_RNA) where: Base-Base interactions energy: -354.414 where: short stacking energy: -170.902 Base-Backbone interact. energy: -1.375 local terms energy: -191.162661 where: bonds (distance) C4'-P energy: -50.559 bonds (distance) P-C4' energy: -43.780 flat angles C4'-P-C4' energy: -45.837 flat angles P-C4'-P energy: -30.290 tors. eta vs tors. theta energy: -20.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1152.680527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.680527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.680527 (E_RNA) where: Base-Base interactions energy: -803.038 where: short stacking energy: -341.922 Base-Backbone interact. energy: -1.316 local terms energy: -348.326683 where: bonds (distance) C4'-P energy: -66.873 bonds (distance) P-C4' energy: -61.962 flat angles C4'-P-C4' energy: -70.153 flat angles P-C4'-P energy: -47.871 tors. eta vs tors. theta energy: -101.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1131.290427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.290427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.290427 (E_RNA) where: Base-Base interactions energy: -781.776 where: short stacking energy: -345.249 Base-Backbone interact. energy: -1.025 local terms energy: -348.489361 where: bonds (distance) C4'-P energy: -55.692 bonds (distance) P-C4' energy: -69.975 flat angles C4'-P-C4' energy: -75.597 flat angles P-C4'-P energy: -46.708 tors. eta vs tors. theta energy: -100.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1055.627386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.627386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.627386 (E_RNA) where: Base-Base interactions energy: -714.778 where: short stacking energy: -334.233 Base-Backbone interact. energy: -0.977 local terms energy: -339.872342 where: bonds (distance) C4'-P energy: -57.681 bonds (distance) P-C4' energy: -74.830 flat angles C4'-P-C4' energy: -65.125 flat angles P-C4'-P energy: -44.704 tors. eta vs tors. theta energy: -97.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -977.555671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.555671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.555671 (E_RNA) where: Base-Base interactions energy: -678.458 where: short stacking energy: -292.489 Base-Backbone interact. energy: 0.193 local terms energy: -299.291039 where: bonds (distance) C4'-P energy: -55.371 bonds (distance) P-C4' energy: -56.644 flat angles C4'-P-C4' energy: -66.017 flat angles P-C4'-P energy: -38.348 tors. eta vs tors. theta energy: -82.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -903.484571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.484571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.484571 (E_RNA) where: Base-Base interactions energy: -609.843 where: short stacking energy: -270.526 Base-Backbone interact. energy: -1.173 local terms energy: -292.468617 where: bonds (distance) C4'-P energy: -57.886 bonds (distance) P-C4' energy: -55.528 flat angles C4'-P-C4' energy: -65.733 flat angles P-C4'-P energy: -43.537 tors. eta vs tors. theta energy: -69.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -854.230054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.230054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.230054 (E_RNA) where: Base-Base interactions energy: -573.745 where: short stacking energy: -245.392 Base-Backbone interact. energy: -2.267 local terms energy: -278.218137 where: bonds (distance) C4'-P energy: -59.554 bonds (distance) P-C4' energy: -60.624 flat angles C4'-P-C4' energy: -58.293 flat angles P-C4'-P energy: -41.150 tors. eta vs tors. theta energy: -58.597 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: 9 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -862.012306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.012306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.012306 (E_RNA) where: Base-Base interactions energy: -579.939 where: short stacking energy: -254.823 Base-Backbone interact. energy: -0.508 local terms energy: -281.565396 where: bonds (distance) C4'-P energy: -55.050 bonds (distance) P-C4' energy: -58.564 flat angles C4'-P-C4' energy: -54.831 flat angles P-C4'-P energy: -35.190 tors. eta vs tors. theta energy: -77.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -737.446954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.446954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.446954 (E_RNA) where: Base-Base interactions energy: -482.363 where: short stacking energy: -211.099 Base-Backbone interact. energy: 0.488 local terms energy: -255.571996 where: bonds (distance) C4'-P energy: -51.965 bonds (distance) P-C4' energy: -60.398 flat angles C4'-P-C4' energy: -53.991 flat angles P-C4'-P energy: -34.096 tors. eta vs tors. theta energy: -55.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -408.383778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.383778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.383778 (E_RNA) where: Base-Base interactions energy: -212.759 where: short stacking energy: -130.729 Base-Backbone interact. energy: 4.324 local terms energy: -199.948137 where: bonds (distance) C4'-P energy: -57.780 bonds (distance) P-C4' energy: -54.087 flat angles C4'-P-C4' energy: -40.298 flat angles P-C4'-P energy: -27.211 tors. eta vs tors. theta energy: -20.572 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: 10, replica: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -575.351834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.351834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.351834 (E_RNA) where: Base-Base interactions energy: -389.048 where: short stacking energy: -161.496 Base-Backbone interact. energy: -1.220 local terms energy: -185.083336 where: bonds (distance) C4'-P energy: -43.607 bonds (distance) P-C4' energy: -43.922 flat angles C4'-P-C4' energy: -42.327 flat angles P-C4'-P energy: -34.769 tors. eta vs tors. theta energy: -20.459 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: 8 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1169.295090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.295090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.295090 (E_RNA) where: Base-Base interactions energy: -813.523 where: short stacking energy: -355.020 Base-Backbone interact. energy: -0.461 local terms energy: -355.310900 where: bonds (distance) C4'-P energy: -68.006 bonds (distance) P-C4' energy: -60.418 flat angles C4'-P-C4' energy: -75.671 flat angles P-C4'-P energy: -41.522 tors. eta vs tors. theta energy: -109.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1101.353631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.353631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.353631 (E_RNA) where: Base-Base interactions energy: -771.515 where: short stacking energy: -311.817 Base-Backbone interact. energy: -2.464 local terms energy: -327.374974 where: bonds (distance) C4'-P energy: -54.325 bonds (distance) P-C4' energy: -61.536 flat angles C4'-P-C4' energy: -79.459 flat angles P-C4'-P energy: -47.519 tors. eta vs tors. theta energy: -84.535 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: 226 Temperature: 1.000000 Total energy: -1076.755386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.755386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.755386 (E_RNA) where: Base-Base interactions energy: -722.482 where: short stacking energy: -341.899 Base-Backbone interact. energy: -0.610 local terms energy: -353.663375 where: bonds (distance) C4'-P energy: -58.055 bonds (distance) P-C4' energy: -64.296 flat angles C4'-P-C4' energy: -73.214 flat angles P-C4'-P energy: -51.848 tors. eta vs tors. theta energy: -106.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1004.195698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.195698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.195698 (E_RNA) where: Base-Base interactions energy: -680.174 where: short stacking energy: -278.538 Base-Backbone interact. energy: -0.039 local terms energy: -323.982441 where: bonds (distance) C4'-P energy: -68.298 bonds (distance) P-C4' energy: -56.445 flat angles C4'-P-C4' energy: -71.653 flat angles P-C4'-P energy: -46.618 tors. eta vs tors. theta energy: -80.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -883.565537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.565537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.565537 (E_RNA) where: Base-Base interactions energy: -593.417 where: short stacking energy: -247.039 Base-Backbone interact. energy: -2.556 local terms energy: -287.592294 where: bonds (distance) C4'-P energy: -55.527 bonds (distance) P-C4' energy: -60.040 flat angles C4'-P-C4' energy: -69.544 flat angles P-C4'-P energy: -44.476 tors. eta vs tors. theta energy: -58.006 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: 5 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -847.543376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.543376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.543376 (E_RNA) where: Base-Base interactions energy: -572.534 where: short stacking energy: -247.968 Base-Backbone interact. energy: 0.313 local terms energy: -275.322908 where: bonds (distance) C4'-P energy: -60.950 bonds (distance) P-C4' energy: -62.462 flat angles C4'-P-C4' energy: -56.605 flat angles P-C4'-P energy: -32.339 tors. eta vs tors. theta energy: -62.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -853.279426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.279426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.279426 (E_RNA) where: Base-Base interactions energy: -571.211 where: short stacking energy: -257.564 Base-Backbone interact. energy: -1.262 local terms energy: -280.806708 where: bonds (distance) C4'-P energy: -58.466 bonds (distance) P-C4' energy: -55.856 flat angles C4'-P-C4' energy: -66.548 flat angles P-C4'-P energy: -35.965 tors. eta vs tors. theta energy: -63.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -740.071332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.071332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.071332 (E_RNA) where: Base-Base interactions energy: -482.534 where: short stacking energy: -217.546 Base-Backbone interact. energy: 2.667 local terms energy: -260.204696 where: bonds (distance) C4'-P energy: -62.684 bonds (distance) P-C4' energy: -55.780 flat angles C4'-P-C4' energy: -63.445 flat angles P-C4'-P energy: -32.321 tors. eta vs tors. theta energy: -45.975 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: 7 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -576.475246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.475246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.475246 (E_RNA) where: Base-Base interactions energy: -363.103 where: short stacking energy: -151.686 Base-Backbone interact. energy: 0.938 local terms energy: -214.310998 where: bonds (distance) C4'-P energy: -50.013 bonds (distance) P-C4' energy: -50.999 flat angles C4'-P-C4' energy: -60.192 flat angles P-C4'-P energy: -26.819 tors. eta vs tors. theta energy: -26.289 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: 2 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -457.969085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.969085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.969085 (E_RNA) where: Base-Base interactions energy: -248.672 where: short stacking energy: -138.338 Base-Backbone interact. energy: 0.784 local terms energy: -210.080616 where: bonds (distance) C4'-P energy: -39.109 bonds (distance) P-C4' energy: -64.835 flat angles C4'-P-C4' energy: -50.279 flat angles P-C4'-P energy: -31.201 tors. eta vs tors. theta energy: -24.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1176.428197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.428197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.428197 (E_RNA) where: Base-Base interactions energy: -819.632 where: short stacking energy: -342.493 Base-Backbone interact. energy: -0.508 local terms energy: -356.288550 where: bonds (distance) C4'-P energy: -66.997 bonds (distance) P-C4' energy: -64.397 flat angles C4'-P-C4' energy: -76.776 flat angles P-C4'-P energy: -47.456 tors. eta vs tors. theta energy: -100.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1120.655712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.655712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.655712 (E_RNA) where: Base-Base interactions energy: -771.652 where: short stacking energy: -346.985 Base-Backbone interact. energy: -0.743 local terms energy: -348.260408 where: bonds (distance) C4'-P energy: -54.628 bonds (distance) P-C4' energy: -63.184 flat angles C4'-P-C4' energy: -74.623 flat angles P-C4'-P energy: -52.049 tors. eta vs tors. theta energy: -103.776 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: 227 Temperature: 1.000000 Total energy: -1078.766597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.766597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.766597 (E_RNA) where: Base-Base interactions energy: -728.888 where: short stacking energy: -333.311 Base-Backbone interact. energy: -0.715 local terms energy: -349.164166 where: bonds (distance) C4'-P energy: -59.050 bonds (distance) P-C4' energy: -66.764 flat angles C4'-P-C4' energy: -74.795 flat angles P-C4'-P energy: -47.499 tors. eta vs tors. theta energy: -101.057 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: 6 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1020.367650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.367650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.367650 (E_RNA) where: Base-Base interactions energy: -712.260 where: short stacking energy: -291.869 Base-Backbone interact. energy: -1.559 local terms energy: -306.549071 where: bonds (distance) C4'-P energy: -60.709 bonds (distance) P-C4' energy: -62.684 flat angles C4'-P-C4' energy: -63.208 flat angles P-C4'-P energy: -42.183 tors. eta vs tors. theta energy: -77.765 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: 1 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -862.783605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.783605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.783605 (E_RNA) where: Base-Base interactions energy: -572.033 where: short stacking energy: -236.956 Base-Backbone interact. energy: -3.668 local terms energy: -287.083393 where: bonds (distance) C4'-P energy: -47.617 bonds (distance) P-C4' energy: -59.821 flat angles C4'-P-C4' energy: -71.678 flat angles P-C4'-P energy: -45.420 tors. eta vs tors. theta energy: -62.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -835.700043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.700043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.700043 (E_RNA) where: Base-Base interactions energy: -549.420 where: short stacking energy: -250.143 Base-Backbone interact. energy: -0.075 local terms energy: -286.205041 where: bonds (distance) C4'-P energy: -46.580 bonds (distance) P-C4' energy: -58.605 flat angles C4'-P-C4' energy: -66.030 flat angles P-C4'-P energy: -46.556 tors. eta vs tors. theta energy: -68.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -831.070612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.070612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.070612 (E_RNA) where: Base-Base interactions energy: -558.065 where: short stacking energy: -233.222 Base-Backbone interact. energy: -0.854 local terms energy: -272.152160 where: bonds (distance) C4'-P energy: -48.447 bonds (distance) P-C4' energy: -54.711 flat angles C4'-P-C4' energy: -63.515 flat angles P-C4'-P energy: -41.379 tors. eta vs tors. theta energy: -64.101 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: 8, replica: 4 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -692.606407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.606407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.606407 (E_RNA) where: Base-Base interactions energy: -471.103 where: short stacking energy: -216.673 Base-Backbone interact. energy: -1.687 local terms energy: -219.816248 where: bonds (distance) C4'-P energy: -48.888 bonds (distance) P-C4' energy: -38.529 flat angles C4'-P-C4' energy: -56.931 flat angles P-C4'-P energy: -24.322 tors. eta vs tors. theta energy: -51.147 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: 7 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -575.541682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.541682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.541682 (E_RNA) where: Base-Base interactions energy: -355.305 where: short stacking energy: -166.361 Base-Backbone interact. energy: -0.912 local terms energy: -219.324128 where: bonds (distance) C4'-P energy: -54.727 bonds (distance) P-C4' energy: -41.035 flat angles C4'-P-C4' energy: -48.649 flat angles P-C4'-P energy: -42.271 tors. eta vs tors. theta energy: -32.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -445.531697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.531697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.531697 (E_RNA) where: Base-Base interactions energy: -253.642 where: short stacking energy: -131.186 Base-Backbone interact. energy: -2.124 local terms energy: -189.765851 where: bonds (distance) C4'-P energy: -43.009 bonds (distance) P-C4' energy: -58.973 flat angles C4'-P-C4' energy: -51.548 flat angles P-C4'-P energy: -11.647 tors. eta vs tors. theta energy: -24.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1181.650141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.650141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.650141 (E_RNA) where: Base-Base interactions energy: -827.057 where: short stacking energy: -346.218 Base-Backbone interact. energy: -0.763 local terms energy: -353.830014 where: bonds (distance) C4'-P energy: -65.305 bonds (distance) P-C4' energy: -64.783 flat angles C4'-P-C4' energy: -70.285 flat angles P-C4'-P energy: -51.703 tors. eta vs tors. theta energy: -101.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1122.622585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.622585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.622585 (E_RNA) where: Base-Base interactions energy: -776.809 where: short stacking energy: -313.148 Base-Backbone interact. energy: -1.367 local terms energy: -344.446578 where: bonds (distance) C4'-P energy: -68.225 bonds (distance) P-C4' energy: -56.214 flat angles C4'-P-C4' energy: -73.637 flat angles P-C4'-P energy: -47.860 tors. eta vs tors. theta energy: -98.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1060.042280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.042280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.042280 (E_RNA) where: Base-Base interactions energy: -720.245 where: short stacking energy: -332.198 Base-Backbone interact. energy: -1.912 local terms energy: -337.885646 where: bonds (distance) C4'-P energy: -52.565 bonds (distance) P-C4' energy: -61.729 flat angles C4'-P-C4' energy: -71.882 flat angles P-C4'-P energy: -50.117 tors. eta vs tors. theta energy: -101.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1001.985244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.985244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.985244 (E_RNA) where: Base-Base interactions energy: -695.786 where: short stacking energy: -292.524 Base-Backbone interact. energy: -1.714 local terms energy: -304.484689 where: bonds (distance) C4'-P energy: -62.828 bonds (distance) P-C4' energy: -55.882 flat angles C4'-P-C4' energy: -60.080 flat angles P-C4'-P energy: -47.468 tors. eta vs tors. theta energy: -78.227 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: 1 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -879.489707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.489707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.489707 (E_RNA) where: Base-Base interactions energy: -587.927 where: short stacking energy: -243.839 Base-Backbone interact. energy: 4.017 local terms energy: -295.579310 where: bonds (distance) C4'-P energy: -61.368 bonds (distance) P-C4' energy: -67.993 flat angles C4'-P-C4' energy: -63.351 flat angles P-C4'-P energy: -38.344 tors. eta vs tors. theta energy: -64.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -844.940733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.940733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.940733 (E_RNA) where: Base-Base interactions energy: -587.977 where: short stacking energy: -242.749 Base-Backbone interact. energy: -2.445 local terms energy: -254.518855 where: bonds (distance) C4'-P energy: -44.914 bonds (distance) P-C4' energy: -51.504 flat angles C4'-P-C4' energy: -61.059 flat angles P-C4'-P energy: -42.372 tors. eta vs tors. theta energy: -54.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -824.202982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.202982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.202982 (E_RNA) where: Base-Base interactions energy: -567.331 where: short stacking energy: -263.683 Base-Backbone interact. energy: 0.167 local terms energy: -257.038926 where: bonds (distance) C4'-P energy: -50.529 bonds (distance) P-C4' energy: -43.992 flat angles C4'-P-C4' energy: -67.659 flat angles P-C4'-P energy: -36.696 tors. eta vs tors. theta energy: -58.163 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: 8, replica: 4 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -704.491140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.491140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.491140 (E_RNA) where: Base-Base interactions energy: -480.132 where: short stacking energy: -214.386 Base-Backbone interact. energy: -0.324 local terms energy: -224.034611 where: bonds (distance) C4'-P energy: -47.034 bonds (distance) P-C4' energy: -51.046 flat angles C4'-P-C4' energy: -48.766 flat angles P-C4'-P energy: -33.812 tors. eta vs tors. theta energy: -43.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -557.946559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.946559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.946559 (E_RNA) where: Base-Base interactions energy: -341.374 where: short stacking energy: -148.625 Base-Backbone interact. energy: -1.255 local terms energy: -215.317882 where: bonds (distance) C4'-P energy: -51.195 bonds (distance) P-C4' energy: -58.239 flat angles C4'-P-C4' energy: -56.870 flat angles P-C4'-P energy: -30.321 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: 10, replica: 2 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -471.981718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.981718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.981718 (E_RNA) where: Base-Base interactions energy: -285.427 where: short stacking energy: -157.167 Base-Backbone interact. energy: -0.947 local terms energy: -185.608048 where: bonds (distance) C4'-P energy: -45.898 bonds (distance) P-C4' energy: -45.551 flat angles C4'-P-C4' energy: -47.830 flat angles P-C4'-P energy: -24.314 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: 1, replica: 8 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1186.984313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.984313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.984313 (E_RNA) where: Base-Base interactions energy: -821.188 where: short stacking energy: -340.995 Base-Backbone interact. energy: -1.586 local terms energy: -364.209582 where: bonds (distance) C4'-P energy: -65.438 bonds (distance) P-C4' energy: -70.807 flat angles C4'-P-C4' energy: -78.991 flat angles P-C4'-P energy: -53.506 tors. eta vs tors. theta energy: -95.467 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: 10 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1114.587172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.587172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.587172 (E_RNA) where: Base-Base interactions energy: -752.182 where: short stacking energy: -339.645 Base-Backbone interact. energy: -1.649 local terms energy: -360.756063 where: bonds (distance) C4'-P energy: -65.242 bonds (distance) P-C4' energy: -74.597 flat angles C4'-P-C4' energy: -75.165 flat angles P-C4'-P energy: -50.351 tors. eta vs tors. theta energy: -95.402 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: 229 Temperature: 1.000000 Total energy: -1080.305785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.305785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.305785 (E_RNA) where: Base-Base interactions energy: -736.156 where: short stacking energy: -323.076 Base-Backbone interact. energy: -1.008 local terms energy: -343.141710 where: bonds (distance) C4'-P energy: -59.211 bonds (distance) P-C4' energy: -51.844 flat angles C4'-P-C4' energy: -73.331 flat angles P-C4'-P energy: -59.521 tors. eta vs tors. theta energy: -99.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1015.083443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.083443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.083443 (E_RNA) where: Base-Base interactions energy: -698.460 where: short stacking energy: -292.171 Base-Backbone interact. energy: 2.456 local terms energy: -319.080216 where: bonds (distance) C4'-P energy: -62.526 bonds (distance) P-C4' energy: -67.970 flat angles C4'-P-C4' energy: -66.757 flat angles P-C4'-P energy: -42.438 tors. eta vs tors. theta energy: -79.389 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: 5, replica: 1 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -891.798585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.798585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.798585 (E_RNA) where: Base-Base interactions energy: -608.716 where: short stacking energy: -261.833 Base-Backbone interact. energy: -1.136 local terms energy: -281.947298 where: bonds (distance) C4'-P energy: -60.372 bonds (distance) P-C4' energy: -55.896 flat angles C4'-P-C4' energy: -58.646 flat angles P-C4'-P energy: -45.454 tors. eta vs tors. theta energy: -61.579 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: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -831.291144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.291144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.291144 (E_RNA) where: Base-Base interactions energy: -546.153 where: short stacking energy: -259.696 Base-Backbone interact. energy: -2.062 local terms energy: -283.076218 where: bonds (distance) C4'-P energy: -54.955 bonds (distance) P-C4' energy: -51.994 flat angles C4'-P-C4' energy: -66.243 flat angles P-C4'-P energy: -38.712 tors. eta vs tors. theta energy: -71.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -831.765938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.765938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.765938 (E_RNA) where: Base-Base interactions energy: -554.820 where: short stacking energy: -237.941 Base-Backbone interact. energy: -0.399 local terms energy: -276.546435 where: bonds (distance) C4'-P energy: -63.586 bonds (distance) P-C4' energy: -64.515 flat angles C4'-P-C4' energy: -55.957 flat angles P-C4'-P energy: -35.185 tors. eta vs tors. theta energy: -57.304 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: 4 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -731.948779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.948779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.948779 (E_RNA) where: Base-Base interactions energy: -453.316 where: short stacking energy: -210.927 Base-Backbone interact. energy: -0.781 local terms energy: -277.851281 where: bonds (distance) C4'-P energy: -66.341 bonds (distance) P-C4' energy: -55.544 flat angles C4'-P-C4' energy: -66.111 flat angles P-C4'-P energy: -32.777 tors. eta vs tors. theta energy: -57.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -578.883158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.883158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.883158 (E_RNA) where: Base-Base interactions energy: -369.864 where: short stacking energy: -175.288 Base-Backbone interact. energy: 5.728 local terms energy: -214.747755 where: bonds (distance) C4'-P energy: -41.659 bonds (distance) P-C4' energy: -55.097 flat angles C4'-P-C4' energy: -58.812 flat angles P-C4'-P energy: -29.617 tors. eta vs tors. theta energy: -29.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -469.060853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.060853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.060853 (E_RNA) where: Base-Base interactions energy: -282.000 where: short stacking energy: -138.920 Base-Backbone interact. energy: -0.415 local terms energy: -186.646003 where: bonds (distance) C4'-P energy: -47.345 bonds (distance) P-C4' energy: -54.726 flat angles C4'-P-C4' energy: -39.185 flat angles P-C4'-P energy: -27.931 tors. eta vs tors. theta energy: -17.459 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: 8 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1184.081146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.081146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.081146 (E_RNA) where: Base-Base interactions energy: -825.409 where: short stacking energy: -332.407 Base-Backbone interact. energy: -0.736 local terms energy: -357.936072 where: bonds (distance) C4'-P energy: -69.587 bonds (distance) P-C4' energy: -64.141 flat angles C4'-P-C4' energy: -75.494 flat angles P-C4'-P energy: -51.102 tors. eta vs tors. theta energy: -97.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1118.139599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.139599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.139599 (E_RNA) where: Base-Base interactions energy: -782.472 where: short stacking energy: -326.109 Base-Backbone interact. energy: -2.068 local terms energy: -333.599881 where: bonds (distance) C4'-P energy: -53.884 bonds (distance) P-C4' energy: -62.539 flat angles C4'-P-C4' energy: -67.757 flat angles P-C4'-P energy: -52.501 tors. eta vs tors. theta energy: -96.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1095.890648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.890648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.890648 (E_RNA) where: Base-Base interactions energy: -742.450 where: short stacking energy: -335.154 Base-Backbone interact. energy: -0.580 local terms energy: -352.860628 where: bonds (distance) C4'-P energy: -67.655 bonds (distance) P-C4' energy: -68.612 flat angles C4'-P-C4' energy: -68.467 flat angles P-C4'-P energy: -46.859 tors. eta vs tors. theta energy: -101.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1010.324913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.324913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.324913 (E_RNA) where: Base-Base interactions energy: -696.091 where: short stacking energy: -292.736 Base-Backbone interact. energy: -1.733 local terms energy: -312.500587 where: bonds (distance) C4'-P energy: -58.567 bonds (distance) P-C4' energy: -54.804 flat angles C4'-P-C4' energy: -68.411 flat angles P-C4'-P energy: -39.351 tors. eta vs tors. theta energy: -91.368 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: 9 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -872.398811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.398811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.398811 (E_RNA) where: Base-Base interactions energy: -584.629 where: short stacking energy: -260.829 Base-Backbone interact. energy: -3.710 local terms energy: -284.059303 where: bonds (distance) C4'-P energy: -54.422 bonds (distance) P-C4' energy: -59.639 flat angles C4'-P-C4' energy: -63.390 flat angles P-C4'-P energy: -35.100 tors. eta vs tors. theta energy: -71.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -840.644085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.644085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.644085 (E_RNA) where: Base-Base interactions energy: -568.060 where: short stacking energy: -251.589 Base-Backbone interact. energy: -1.627 local terms energy: -270.957322 where: bonds (distance) C4'-P energy: -60.483 bonds (distance) P-C4' energy: -57.138 flat angles C4'-P-C4' energy: -61.190 flat angles P-C4'-P energy: -31.348 tors. eta vs tors. theta energy: -60.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -732.086918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.086918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.086918 (E_RNA) where: Base-Base interactions energy: -467.354 where: short stacking energy: -219.599 Base-Backbone interact. energy: 0.707 local terms energy: -265.439584 where: bonds (distance) C4'-P energy: -56.446 bonds (distance) P-C4' energy: -53.843 flat angles C4'-P-C4' energy: -56.267 flat angles P-C4'-P energy: -41.158 tors. eta vs tors. theta energy: -57.725 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: 8, replica: 5 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -733.364742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.364742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.364742 (E_RNA) where: Base-Base interactions energy: -485.669 where: short stacking energy: -208.910 Base-Backbone interact. energy: -0.751 local terms energy: -246.944948 where: bonds (distance) C4'-P energy: -48.646 bonds (distance) P-C4' energy: -56.984 flat angles C4'-P-C4' energy: -58.988 flat angles P-C4'-P energy: -30.502 tors. eta vs tors. theta energy: -51.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -575.668582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.668582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.668582 (E_RNA) where: Base-Base interactions energy: -356.586 where: short stacking energy: -142.030 Base-Backbone interact. energy: 1.181 local terms energy: -220.264054 where: bonds (distance) C4'-P energy: -60.935 bonds (distance) P-C4' energy: -52.940 flat angles C4'-P-C4' energy: -52.380 flat angles P-C4'-P energy: -33.124 tors. eta vs tors. theta energy: -20.885 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: 2 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -452.987350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.987350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.987350 (E_RNA) where: Base-Base interactions energy: -253.229 where: short stacking energy: -124.196 Base-Backbone interact. energy: 0.687 local terms energy: -200.444969 where: bonds (distance) C4'-P energy: -55.322 bonds (distance) P-C4' energy: -54.631 flat angles C4'-P-C4' energy: -56.018 flat angles P-C4'-P energy: -26.294 tors. eta vs tors. theta energy: -8.180 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: 8 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1175.894018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.894018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.894018 (E_RNA) where: Base-Base interactions energy: -808.936 where: short stacking energy: -345.936 Base-Backbone interact. energy: -2.930 local terms energy: -364.027511 where: bonds (distance) C4'-P energy: -64.468 bonds (distance) P-C4' energy: -75.326 flat angles C4'-P-C4' energy: -72.624 flat angles P-C4'-P energy: -52.884 tors. eta vs tors. theta energy: -98.726 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: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1114.163101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.163101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.163101 (E_RNA) where: Base-Base interactions energy: -784.855 where: short stacking energy: -330.576 Base-Backbone interact. energy: -0.708 local terms energy: -328.600134 where: bonds (distance) C4'-P energy: -56.960 bonds (distance) P-C4' energy: -65.046 flat angles C4'-P-C4' energy: -61.172 flat angles P-C4'-P energy: -46.178 tors. eta vs tors. theta energy: -99.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1057.802500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.802500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.802500 (E_RNA) where: Base-Base interactions energy: -719.039 where: short stacking energy: -322.785 Base-Backbone interact. energy: -1.410 local terms energy: -337.353560 where: bonds (distance) C4'-P energy: -64.199 bonds (distance) P-C4' energy: -65.627 flat angles C4'-P-C4' energy: -74.061 flat angles P-C4'-P energy: -38.838 tors. eta vs tors. theta energy: -94.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -998.483221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.483221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.483221 (E_RNA) where: Base-Base interactions energy: -685.212 where: short stacking energy: -296.293 Base-Backbone interact. energy: -1.704 local terms energy: -311.566618 where: bonds (distance) C4'-P energy: -54.005 bonds (distance) P-C4' energy: -56.011 flat angles C4'-P-C4' energy: -71.751 flat angles P-C4'-P energy: -41.716 tors. eta vs tors. theta energy: -88.083 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: 9 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -885.973643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.973643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.973643 (E_RNA) where: Base-Base interactions energy: -592.876 where: short stacking energy: -260.079 Base-Backbone interact. energy: -1.000 local terms energy: -292.097575 where: bonds (distance) C4'-P energy: -58.571 bonds (distance) P-C4' energy: -54.465 flat angles C4'-P-C4' energy: -60.754 flat angles P-C4'-P energy: -40.548 tors. eta vs tors. theta energy: -77.759 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: 1 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -802.870881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.870881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.870881 (E_RNA) where: Base-Base interactions energy: -540.544 where: short stacking energy: -248.751 Base-Backbone interact. energy: -1.537 local terms energy: -260.789243 where: bonds (distance) C4'-P energy: -48.715 bonds (distance) P-C4' energy: -56.202 flat angles C4'-P-C4' energy: -63.204 flat angles P-C4'-P energy: -34.906 tors. eta vs tors. theta energy: -57.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -725.421867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.421867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.421867 (E_RNA) where: Base-Base interactions energy: -447.366 where: short stacking energy: -200.985 Base-Backbone interact. energy: -0.966 local terms energy: -277.090309 where: bonds (distance) C4'-P energy: -52.886 bonds (distance) P-C4' energy: -68.660 flat angles C4'-P-C4' energy: -64.050 flat angles P-C4'-P energy: -31.921 tors. eta vs tors. theta energy: -59.573 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: 5 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -727.760427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.760427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.760427 (E_RNA) where: Base-Base interactions energy: -477.543 where: short stacking energy: -203.068 Base-Backbone interact. energy: -0.638 local terms energy: -249.578911 where: bonds (distance) C4'-P energy: -53.554 bonds (distance) P-C4' energy: -62.057 flat angles C4'-P-C4' energy: -47.628 flat angles P-C4'-P energy: -41.714 tors. eta vs tors. theta energy: -44.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -607.209517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.209517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.209517 (E_RNA) where: Base-Base interactions energy: -372.138 where: short stacking energy: -169.900 Base-Backbone interact. energy: -0.025 local terms energy: -235.046810 where: bonds (distance) C4'-P energy: -53.099 bonds (distance) P-C4' energy: -50.368 flat angles C4'-P-C4' energy: -55.174 flat angles P-C4'-P energy: -44.206 tors. eta vs tors. theta energy: -32.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -405.743771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.743771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.743771 (E_RNA) where: Base-Base interactions energy: -226.020 where: short stacking energy: -123.827 Base-Backbone interact. energy: 0.105 local terms energy: -179.829452 where: bonds (distance) C4'-P energy: -47.644 bonds (distance) P-C4' energy: -59.402 flat angles C4'-P-C4' energy: -39.639 flat angles P-C4'-P energy: -25.549 tors. eta vs tors. theta energy: -7.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1157.421039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.421039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.421039 (E_RNA) where: Base-Base interactions energy: -804.817 where: short stacking energy: -337.718 Base-Backbone interact. energy: -0.655 local terms energy: -351.948964 where: bonds (distance) C4'-P energy: -59.914 bonds (distance) P-C4' energy: -70.764 flat angles C4'-P-C4' energy: -73.459 flat angles P-C4'-P energy: -53.470 tors. eta vs tors. theta energy: -94.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1127.423701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.423701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.423701 (E_RNA) where: Base-Base interactions energy: -792.641 where: short stacking energy: -342.698 Base-Backbone interact. energy: -1.260 local terms energy: -333.523068 where: bonds (distance) C4'-P energy: -55.501 bonds (distance) P-C4' energy: -67.201 flat angles C4'-P-C4' energy: -73.676 flat angles P-C4'-P energy: -42.659 tors. eta vs tors. theta energy: -94.487 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: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1077.353325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.353325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.353325 (E_RNA) where: Base-Base interactions energy: -718.494 where: short stacking energy: -331.997 Base-Backbone interact. energy: -0.854 local terms energy: -358.006032 where: bonds (distance) C4'-P energy: -65.519 bonds (distance) P-C4' energy: -67.308 flat angles C4'-P-C4' energy: -73.027 flat angles P-C4'-P energy: -46.692 tors. eta vs tors. theta energy: -105.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -976.085598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.085598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.085598 (E_RNA) where: Base-Base interactions energy: -672.633 where: short stacking energy: -271.972 Base-Backbone interact. energy: -1.819 local terms energy: -301.632946 where: bonds (distance) C4'-P energy: -55.316 bonds (distance) P-C4' energy: -60.146 flat angles C4'-P-C4' energy: -64.373 flat angles P-C4'-P energy: -46.893 tors. eta vs tors. theta energy: -74.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -877.600773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.600773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.600773 (E_RNA) where: Base-Base interactions energy: -596.570 where: short stacking energy: -263.114 Base-Backbone interact. energy: -0.791 local terms energy: -280.239867 where: bonds (distance) C4'-P energy: -57.825 bonds (distance) P-C4' energy: -55.620 flat angles C4'-P-C4' energy: -60.759 flat angles P-C4'-P energy: -38.113 tors. eta vs tors. theta energy: -67.922 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: 1 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -822.562509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.562509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.562509 (E_RNA) where: Base-Base interactions energy: -565.663 where: short stacking energy: -267.852 Base-Backbone interact. energy: 1.875 local terms energy: -258.775418 where: bonds (distance) C4'-P energy: -53.179 bonds (distance) P-C4' energy: -54.932 flat angles C4'-P-C4' energy: -64.251 flat angles P-C4'-P energy: -28.592 tors. eta vs tors. theta energy: -57.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -752.391686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.391686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.391686 (E_RNA) where: Base-Base interactions energy: -485.084 where: short stacking energy: -233.520 Base-Backbone interact. energy: -1.650 local terms energy: -265.657559 where: bonds (distance) C4'-P energy: -46.591 bonds (distance) P-C4' energy: -56.801 flat angles C4'-P-C4' energy: -64.976 flat angles P-C4'-P energy: -37.542 tors. eta vs tors. theta energy: -59.748 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: 5 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -678.275071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.275071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.275071 (E_RNA) where: Base-Base interactions energy: -443.862 where: short stacking energy: -190.634 Base-Backbone interact. energy: -0.443 local terms energy: -233.969958 where: bonds (distance) C4'-P energy: -44.304 bonds (distance) P-C4' energy: -61.721 flat angles C4'-P-C4' energy: -52.081 flat angles P-C4'-P energy: -40.848 tors. eta vs tors. theta energy: -35.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -588.986048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.986048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.986048 (E_RNA) where: Base-Base interactions energy: -359.018 where: short stacking energy: -168.106 Base-Backbone interact. energy: -1.154 local terms energy: -228.813936 where: bonds (distance) C4'-P energy: -48.844 bonds (distance) P-C4' energy: -60.500 flat angles C4'-P-C4' energy: -56.727 flat angles P-C4'-P energy: -36.492 tors. eta vs tors. theta energy: -26.251 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: 2 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -412.517946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.517946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.517946 (E_RNA) where: Base-Base interactions energy: -230.182 where: short stacking energy: -126.439 Base-Backbone interact. energy: 2.706 local terms energy: -185.041578 where: bonds (distance) C4'-P energy: -27.959 bonds (distance) P-C4' energy: -59.955 flat angles C4'-P-C4' energy: -47.088 flat angles P-C4'-P energy: -41.450 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: 1, replica: 8 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1180.735812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.735812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.735812 (E_RNA) where: Base-Base interactions energy: -822.118 where: short stacking energy: -341.370 Base-Backbone interact. energy: -3.418 local terms energy: -355.199980 where: bonds (distance) C4'-P energy: -63.794 bonds (distance) P-C4' energy: -66.722 flat angles C4'-P-C4' energy: -72.303 flat angles P-C4'-P energy: -49.181 tors. eta vs tors. theta energy: -103.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1113.985964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.985964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.985964 (E_RNA) where: Base-Base interactions energy: -779.171 where: short stacking energy: -329.115 Base-Backbone interact. energy: -1.807 local terms energy: -333.008568 where: bonds (distance) C4'-P energy: -58.168 bonds (distance) P-C4' energy: -60.082 flat angles C4'-P-C4' energy: -66.849 flat angles P-C4'-P energy: -51.572 tors. eta vs tors. theta energy: -96.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1089.159086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.159086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.159086 (E_RNA) where: Base-Base interactions energy: -732.967 where: short stacking energy: -344.560 Base-Backbone interact. energy: -0.303 local terms energy: -355.888986 where: bonds (distance) C4'-P energy: -72.713 bonds (distance) P-C4' energy: -47.773 flat angles C4'-P-C4' energy: -77.717 flat angles P-C4'-P energy: -51.828 tors. eta vs tors. theta energy: -105.857 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: 6 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -996.667078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.667078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.667078 (E_RNA) where: Base-Base interactions energy: -670.626 where: short stacking energy: -277.524 Base-Backbone interact. energy: -2.357 local terms energy: -323.684113 where: bonds (distance) C4'-P energy: -62.552 bonds (distance) P-C4' energy: -71.888 flat angles C4'-P-C4' energy: -63.270 flat angles P-C4'-P energy: -41.814 tors. eta vs tors. theta energy: -84.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -909.772442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.772442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.772442 (E_RNA) where: Base-Base interactions energy: -603.536 where: short stacking energy: -280.919 Base-Backbone interact. energy: -0.712 local terms energy: -305.524456 where: bonds (distance) C4'-P energy: -64.439 bonds (distance) P-C4' energy: -48.203 flat angles C4'-P-C4' energy: -65.469 flat angles P-C4'-P energy: -43.253 tors. eta vs tors. theta energy: -84.160 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: 1 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -839.995799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.995799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.995799 (E_RNA) where: Base-Base interactions energy: -549.968 where: short stacking energy: -231.702 Base-Backbone interact. energy: -2.776 local terms energy: -287.252122 where: bonds (distance) C4'-P energy: -58.053 bonds (distance) P-C4' energy: -64.104 flat angles C4'-P-C4' energy: -58.865 flat angles P-C4'-P energy: -45.151 tors. eta vs tors. theta energy: -61.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -731.011469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.011469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.011469 (E_RNA) where: Base-Base interactions energy: -475.106 where: short stacking energy: -213.533 Base-Backbone interact. energy: -0.110 local terms energy: -255.795977 where: bonds (distance) C4'-P energy: -52.773 bonds (distance) P-C4' energy: -56.698 flat angles C4'-P-C4' energy: -47.503 flat angles P-C4'-P energy: -43.679 tors. eta vs tors. theta energy: -55.143 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: 5 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -637.845129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.845129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.845129 (E_RNA) where: Base-Base interactions energy: -430.360 where: short stacking energy: -179.593 Base-Backbone interact. energy: -1.280 local terms energy: -206.205371 where: bonds (distance) C4'-P energy: -35.303 bonds (distance) P-C4' energy: -59.191 flat angles C4'-P-C4' energy: -51.990 flat angles P-C4'-P energy: -36.841 tors. eta vs tors. theta energy: -22.881 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: 7 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -575.827379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.827379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.827379 (E_RNA) where: Base-Base interactions energy: -349.859 where: short stacking energy: -175.527 Base-Backbone interact. energy: -1.238 local terms energy: -224.729936 where: bonds (distance) C4'-P energy: -49.751 bonds (distance) P-C4' energy: -61.768 flat angles C4'-P-C4' energy: -59.062 flat angles P-C4'-P energy: -35.148 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: 10, replica: 2 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -418.382397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.382397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.382397 (E_RNA) where: Base-Base interactions energy: -224.509 where: short stacking energy: -109.996 Base-Backbone interact. energy: -0.015 local terms energy: -193.858608 where: bonds (distance) C4'-P energy: -47.829 bonds (distance) P-C4' energy: -68.046 flat angles C4'-P-C4' energy: -48.168 flat angles P-C4'-P energy: -22.184 tors. eta vs tors. theta energy: -7.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1178.863427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.863427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.863427 (E_RNA) where: Base-Base interactions energy: -826.859 where: short stacking energy: -342.223 Base-Backbone interact. energy: -0.278 local terms energy: -351.726150 where: bonds (distance) C4'-P energy: -60.196 bonds (distance) P-C4' energy: -64.185 flat angles C4'-P-C4' energy: -74.854 flat angles P-C4'-P energy: -48.932 tors. eta vs tors. theta energy: -103.559 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: 10 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1119.145486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.145486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.145486 (E_RNA) where: Base-Base interactions energy: -777.263 where: short stacking energy: -313.920 Base-Backbone interact. energy: -0.673 local terms energy: -341.208676 where: bonds (distance) C4'-P energy: -68.896 bonds (distance) P-C4' energy: -56.081 flat angles C4'-P-C4' energy: -70.387 flat angles P-C4'-P energy: -48.883 tors. eta vs tors. theta energy: -96.962 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: 234 Temperature: 1.000000 Total energy: -1099.197461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.197461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.197461 (E_RNA) where: Base-Base interactions energy: -736.035 where: short stacking energy: -325.878 Base-Backbone interact. energy: 0.162 local terms energy: -363.324957 where: bonds (distance) C4'-P energy: -70.792 bonds (distance) P-C4' energy: -70.388 flat angles C4'-P-C4' energy: -77.843 flat angles P-C4'-P energy: -51.854 tors. eta vs tors. theta energy: -92.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -960.487360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.487360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.487360 (E_RNA) where: Base-Base interactions energy: -643.529 where: short stacking energy: -271.174 Base-Backbone interact. energy: -0.202 local terms energy: -316.756876 where: bonds (distance) C4'-P energy: -60.741 bonds (distance) P-C4' energy: -67.272 flat angles C4'-P-C4' energy: -54.736 flat angles P-C4'-P energy: -52.065 tors. eta vs tors. theta energy: -81.944 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: 9 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -902.773705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.773705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.773705 (E_RNA) where: Base-Base interactions energy: -621.928 where: short stacking energy: -278.060 Base-Backbone interact. energy: -0.155 local terms energy: -280.690176 where: bonds (distance) C4'-P energy: -46.574 bonds (distance) P-C4' energy: -57.545 flat angles C4'-P-C4' energy: -63.326 flat angles P-C4'-P energy: -41.158 tors. eta vs tors. theta energy: -72.087 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: 1 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -820.775989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.775989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.775989 (E_RNA) where: Base-Base interactions energy: -541.800 where: short stacking energy: -239.041 Base-Backbone interact. energy: -0.460 local terms energy: -278.516311 where: bonds (distance) C4'-P energy: -58.875 bonds (distance) P-C4' energy: -59.239 flat angles C4'-P-C4' energy: -60.203 flat angles P-C4'-P energy: -39.770 tors. eta vs tors. theta energy: -60.430 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: 4 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -740.892145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.892145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.892145 (E_RNA) where: Base-Base interactions energy: -482.414 where: short stacking energy: -234.815 Base-Backbone interact. energy: -0.604 local terms energy: -257.874716 where: bonds (distance) C4'-P energy: -46.764 bonds (distance) P-C4' energy: -63.667 flat angles C4'-P-C4' energy: -61.922 flat angles P-C4'-P energy: -33.500 tors. eta vs tors. theta energy: -52.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -718.277686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.277686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.277686 (E_RNA) where: Base-Base interactions energy: -458.305 where: short stacking energy: -220.829 Base-Backbone interact. energy: 2.514 local terms energy: -262.486142 where: bonds (distance) C4'-P energy: -47.114 bonds (distance) P-C4' energy: -64.140 flat angles C4'-P-C4' energy: -60.154 flat angles P-C4'-P energy: -40.837 tors. eta vs tors. theta energy: -50.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -577.152318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.152318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.152318 (E_RNA) where: Base-Base interactions energy: -372.278 where: short stacking energy: -168.936 Base-Backbone interact. energy: -0.380 local terms energy: -204.494245 where: bonds (distance) C4'-P energy: -41.634 bonds (distance) P-C4' energy: -55.875 flat angles C4'-P-C4' energy: -58.582 flat angles P-C4'-P energy: -34.971 tors. eta vs tors. theta energy: -13.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -429.472204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.472204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.472204 (E_RNA) where: Base-Base interactions energy: -236.387 where: short stacking energy: -127.064 Base-Backbone interact. energy: 1.249 local terms energy: -194.333619 where: bonds (distance) C4'-P energy: -53.166 bonds (distance) P-C4' energy: -64.696 flat angles C4'-P-C4' energy: -42.736 flat angles P-C4'-P energy: -25.130 tors. eta vs tors. theta energy: -8.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1189.166920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.166920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.166920 (E_RNA) where: Base-Base interactions energy: -818.216 where: short stacking energy: -339.243 Base-Backbone interact. energy: -2.932 local terms energy: -368.018746 where: bonds (distance) C4'-P energy: -72.307 bonds (distance) P-C4' energy: -66.465 flat angles C4'-P-C4' energy: -72.488 flat angles P-C4'-P energy: -52.271 tors. eta vs tors. theta energy: -104.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1124.631698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.631698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.631698 (E_RNA) where: Base-Base interactions energy: -785.662 where: short stacking energy: -319.014 Base-Backbone interact. energy: -1.156 local terms energy: -337.813338 where: bonds (distance) C4'-P energy: -64.208 bonds (distance) P-C4' energy: -69.582 flat angles C4'-P-C4' energy: -70.183 flat angles P-C4'-P energy: -42.443 tors. eta vs tors. theta energy: -91.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1068.244400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.244400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.244400 (E_RNA) where: Base-Base interactions energy: -728.787 where: short stacking energy: -311.196 Base-Backbone interact. energy: -0.568 local terms energy: -338.888981 where: bonds (distance) C4'-P energy: -66.048 bonds (distance) P-C4' energy: -60.250 flat angles C4'-P-C4' energy: -70.419 flat angles P-C4'-P energy: -48.939 tors. eta vs tors. theta energy: -93.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1032.086324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.086324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.086324 (E_RNA) where: Base-Base interactions energy: -725.327 where: short stacking energy: -295.899 Base-Backbone interact. energy: -1.204 local terms energy: -305.555862 where: bonds (distance) C4'-P energy: -55.459 bonds (distance) P-C4' energy: -55.272 flat angles C4'-P-C4' energy: -66.431 flat angles P-C4'-P energy: -35.190 tors. eta vs tors. theta energy: -93.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -911.138345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.138345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.138345 (E_RNA) where: Base-Base interactions energy: -610.973 where: short stacking energy: -279.050 Base-Backbone interact. energy: -0.798 local terms energy: -299.367003 where: bonds (distance) C4'-P energy: -52.512 bonds (distance) P-C4' energy: -58.683 flat angles C4'-P-C4' energy: -72.140 flat angles P-C4'-P energy: -37.057 tors. eta vs tors. theta energy: -78.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -838.128636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.128636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.128636 (E_RNA) where: Base-Base interactions energy: -566.480 where: short stacking energy: -251.223 Base-Backbone interact. energy: -0.530 local terms energy: -271.117976 where: bonds (distance) C4'-P energy: -62.175 bonds (distance) P-C4' energy: -50.864 flat angles C4'-P-C4' energy: -63.062 flat angles P-C4'-P energy: -35.656 tors. eta vs tors. theta energy: -59.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -735.384778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.384778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.384778 (E_RNA) where: Base-Base interactions energy: -465.591 where: short stacking energy: -229.950 Base-Backbone interact. energy: -1.825 local terms energy: -267.969411 where: bonds (distance) C4'-P energy: -49.545 bonds (distance) P-C4' energy: -49.054 flat angles C4'-P-C4' energy: -70.461 flat angles P-C4'-P energy: -35.554 tors. eta vs tors. theta energy: -63.355 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: 5 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -703.556429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.556429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.556429 (E_RNA) where: Base-Base interactions energy: -466.413 where: short stacking energy: -212.634 Base-Backbone interact. energy: -0.293 local terms energy: -236.850982 where: bonds (distance) C4'-P energy: -53.960 bonds (distance) P-C4' energy: -60.691 flat angles C4'-P-C4' energy: -57.800 flat angles P-C4'-P energy: -27.933 tors. eta vs tors. theta energy: -36.467 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: 235 Temperature: 1.300000 Total energy: -571.429272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.429272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.429272 (E_RNA) where: Base-Base interactions energy: -365.618 where: short stacking energy: -176.265 Base-Backbone interact. energy: -0.732 local terms energy: -205.079044 where: bonds (distance) C4'-P energy: -32.232 bonds (distance) P-C4' energy: -56.903 flat angles C4'-P-C4' energy: -48.994 flat angles P-C4'-P energy: -24.443 tors. eta vs tors. theta energy: -42.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -464.973036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.973036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.973036 (E_RNA) where: Base-Base interactions energy: -235.412 where: short stacking energy: -124.453 Base-Backbone interact. energy: -1.406 local terms energy: -228.155112 where: bonds (distance) C4'-P energy: -53.895 bonds (distance) P-C4' energy: -54.885 flat angles C4'-P-C4' energy: -60.366 flat angles P-C4'-P energy: -36.076 tors. eta vs tors. theta energy: -22.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1164.443838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.443838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.443838 (E_RNA) where: Base-Base interactions energy: -807.519 where: short stacking energy: -353.054 Base-Backbone interact. energy: -2.733 local terms energy: -354.191242 where: bonds (distance) C4'-P energy: -59.977 bonds (distance) P-C4' energy: -68.912 flat angles C4'-P-C4' energy: -68.809 flat angles P-C4'-P energy: -45.871 tors. eta vs tors. theta energy: -110.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1116.922397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.922397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.922397 (E_RNA) where: Base-Base interactions energy: -781.661 where: short stacking energy: -319.369 Base-Backbone interact. energy: -1.455 local terms energy: -333.806164 where: bonds (distance) C4'-P energy: -48.407 bonds (distance) P-C4' energy: -67.839 flat angles C4'-P-C4' energy: -78.966 flat angles P-C4'-P energy: -47.178 tors. eta vs tors. theta energy: -91.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1058.757732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.757732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.757732 (E_RNA) where: Base-Base interactions energy: -738.738 where: short stacking energy: -330.604 Base-Backbone interact. energy: -1.288 local terms energy: -318.731081 where: bonds (distance) C4'-P energy: -63.804 bonds (distance) P-C4' energy: -57.734 flat angles C4'-P-C4' energy: -63.015 flat angles P-C4'-P energy: -41.368 tors. eta vs tors. theta energy: -92.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1032.788024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.788024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.788024 (E_RNA) where: Base-Base interactions energy: -709.046 where: short stacking energy: -296.358 Base-Backbone interact. energy: -2.219 local terms energy: -321.523362 where: bonds (distance) C4'-P energy: -58.408 bonds (distance) P-C4' energy: -56.142 flat angles C4'-P-C4' energy: -71.969 flat angles P-C4'-P energy: -46.464 tors. eta vs tors. theta energy: -88.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -891.583665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.583665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.583665 (E_RNA) where: Base-Base interactions energy: -604.193 where: short stacking energy: -255.121 Base-Backbone interact. energy: -1.812 local terms energy: -285.578605 where: bonds (distance) C4'-P energy: -53.026 bonds (distance) P-C4' energy: -61.470 flat angles C4'-P-C4' energy: -70.527 flat angles P-C4'-P energy: -46.696 tors. eta vs tors. theta energy: -53.859 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: 1 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -823.707329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.707329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.707329 (E_RNA) where: Base-Base interactions energy: -551.570 where: short stacking energy: -250.587 Base-Backbone interact. energy: -2.111 local terms energy: -270.026417 where: bonds (distance) C4'-P energy: -43.570 bonds (distance) P-C4' energy: -58.646 flat angles C4'-P-C4' energy: -63.822 flat angles P-C4'-P energy: -39.935 tors. eta vs tors. theta energy: -64.052 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: 4 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -766.194188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.194188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.194188 (E_RNA) where: Base-Base interactions energy: -467.276 where: short stacking energy: -218.346 Base-Backbone interact. energy: 0.515 local terms energy: -299.433313 where: bonds (distance) C4'-P energy: -66.476 bonds (distance) P-C4' energy: -63.033 flat angles C4'-P-C4' energy: -66.347 flat angles P-C4'-P energy: -46.322 tors. eta vs tors. theta energy: -57.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -680.462383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.462383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.462383 (E_RNA) where: Base-Base interactions energy: -424.865 where: short stacking energy: -174.321 Base-Backbone interact. energy: 0.617 local terms energy: -256.214489 where: bonds (distance) C4'-P energy: -55.737 bonds (distance) P-C4' energy: -67.044 flat angles C4'-P-C4' energy: -55.323 flat angles P-C4'-P energy: -43.025 tors. eta vs tors. theta energy: -35.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -571.531472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.531472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.531472 (E_RNA) where: Base-Base interactions energy: -354.692 where: short stacking energy: -159.127 Base-Backbone interact. energy: -1.421 local terms energy: -215.418000 where: bonds (distance) C4'-P energy: -50.364 bonds (distance) P-C4' energy: -59.312 flat angles C4'-P-C4' energy: -50.656 flat angles P-C4'-P energy: -33.643 tors. eta vs tors. theta energy: -21.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -452.198502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.198502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.198502 (E_RNA) where: Base-Base interactions energy: -253.429 where: short stacking energy: -132.645 Base-Backbone interact. energy: -0.658 local terms energy: -198.111687 where: bonds (distance) C4'-P energy: -51.247 bonds (distance) P-C4' energy: -55.687 flat angles C4'-P-C4' energy: -50.811 flat angles P-C4'-P energy: -21.046 tors. eta vs tors. theta energy: -19.320 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: 1, replica: 8 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1166.590635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.590635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.590635 (E_RNA) where: Base-Base interactions energy: -795.875 where: short stacking energy: -344.254 Base-Backbone interact. energy: -1.295 local terms energy: -369.421317 where: bonds (distance) C4'-P energy: -69.307 bonds (distance) P-C4' energy: -67.333 flat angles C4'-P-C4' energy: -77.528 flat angles P-C4'-P energy: -53.183 tors. eta vs tors. theta energy: -102.070 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: 2, replica: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1094.530547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.530547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.530547 (E_RNA) where: Base-Base interactions energy: -762.017 where: short stacking energy: -313.992 Base-Backbone interact. energy: -1.062 local terms energy: -331.451145 where: bonds (distance) C4'-P energy: -61.352 bonds (distance) P-C4' energy: -65.172 flat angles C4'-P-C4' energy: -65.801 flat angles P-C4'-P energy: -41.920 tors. eta vs tors. theta energy: -97.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1057.641062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.641062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.641062 (E_RNA) where: Base-Base interactions energy: -726.209 where: short stacking energy: -330.998 Base-Backbone interact. energy: -1.225 local terms energy: -330.207500 where: bonds (distance) C4'-P energy: -61.175 bonds (distance) P-C4' energy: -56.253 flat angles C4'-P-C4' energy: -75.050 flat angles P-C4'-P energy: -44.449 tors. eta vs tors. theta energy: -93.280 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: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1040.266001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.266001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.266001 (E_RNA) where: Base-Base interactions energy: -724.896 where: short stacking energy: -297.911 Base-Backbone interact. energy: -1.170 local terms energy: -314.199828 where: bonds (distance) C4'-P energy: -65.266 bonds (distance) P-C4' energy: -67.505 flat angles C4'-P-C4' energy: -57.995 flat angles P-C4'-P energy: -32.165 tors. eta vs tors. theta energy: -91.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -891.268293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.268293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.268293 (E_RNA) where: Base-Base interactions energy: -606.402 where: short stacking energy: -267.287 Base-Backbone interact. energy: 3.409 local terms energy: -288.275227 where: bonds (distance) C4'-P energy: -54.675 bonds (distance) P-C4' energy: -61.733 flat angles C4'-P-C4' energy: -64.419 flat angles P-C4'-P energy: -41.473 tors. eta vs tors. theta energy: -65.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -798.652976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.652976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.652976 (E_RNA) where: Base-Base interactions energy: -544.067 where: short stacking energy: -229.899 Base-Backbone interact. energy: -0.001 local terms energy: -254.584908 where: bonds (distance) C4'-P energy: -62.139 bonds (distance) P-C4' energy: -52.799 flat angles C4'-P-C4' energy: -56.294 flat angles P-C4'-P energy: -26.055 tors. eta vs tors. theta energy: -57.299 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: 4 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -747.228530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.228530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.228530 (E_RNA) where: Base-Base interactions energy: -497.702 where: short stacking energy: -220.786 Base-Backbone interact. energy: -1.271 local terms energy: -248.255622 where: bonds (distance) C4'-P energy: -48.179 bonds (distance) P-C4' energy: -56.771 flat angles C4'-P-C4' energy: -57.219 flat angles P-C4'-P energy: -37.659 tors. eta vs tors. theta energy: -48.428 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: 5 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -669.292448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.292448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.292448 (E_RNA) where: Base-Base interactions energy: -437.456 where: short stacking energy: -187.208 Base-Backbone interact. energy: -2.568 local terms energy: -229.268812 where: bonds (distance) C4'-P energy: -52.164 bonds (distance) P-C4' energy: -50.817 flat angles C4'-P-C4' energy: -50.556 flat angles P-C4'-P energy: -35.149 tors. eta vs tors. theta energy: -40.582 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: 7 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -564.660457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.660457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.660457 (E_RNA) where: Base-Base interactions energy: -337.959 where: short stacking energy: -144.147 Base-Backbone interact. energy: -0.033 local terms energy: -226.668217 where: bonds (distance) C4'-P energy: -64.086 bonds (distance) P-C4' energy: -56.270 flat angles C4'-P-C4' energy: -55.355 flat angles P-C4'-P energy: -28.930 tors. eta vs tors. theta energy: -22.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -440.694314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.694314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.694314 (E_RNA) where: Base-Base interactions energy: -248.235 where: short stacking energy: -127.114 Base-Backbone interact. energy: -0.437 local terms energy: -192.021757 where: bonds (distance) C4'-P energy: -47.116 bonds (distance) P-C4' energy: -45.493 flat angles C4'-P-C4' energy: -54.360 flat angles P-C4'-P energy: -28.128 tors. eta vs tors. theta energy: -16.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1182.539952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.539952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.539952 (E_RNA) where: Base-Base interactions energy: -818.368 where: short stacking energy: -356.524 Base-Backbone interact. energy: -3.269 local terms energy: -360.902593 where: bonds (distance) C4'-P energy: -60.688 bonds (distance) P-C4' energy: -60.818 flat angles C4'-P-C4' energy: -74.994 flat angles P-C4'-P energy: -56.113 tors. eta vs tors. theta energy: -108.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1118.871919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.871919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.871919 (E_RNA) where: Base-Base interactions energy: -781.268 where: short stacking energy: -333.328 Base-Backbone interact. energy: 1.119 local terms energy: -338.722980 where: bonds (distance) C4'-P energy: -69.422 bonds (distance) P-C4' energy: -61.633 flat angles C4'-P-C4' energy: -72.573 flat angles P-C4'-P energy: -42.589 tors. eta vs tors. theta energy: -92.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1072.584671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.584671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.584671 (E_RNA) where: Base-Base interactions energy: -734.011 where: short stacking energy: -308.882 Base-Backbone interact. energy: -0.966 local terms energy: -337.608066 where: bonds (distance) C4'-P energy: -66.437 bonds (distance) P-C4' energy: -60.546 flat angles C4'-P-C4' energy: -68.765 flat angles P-C4'-P energy: -41.607 tors. eta vs tors. theta energy: -100.254 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: 3 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1041.097322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.097322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.097322 (E_RNA) where: Base-Base interactions energy: -708.911 where: short stacking energy: -313.014 Base-Backbone interact. energy: -1.033 local terms energy: -331.153086 where: bonds (distance) C4'-P energy: -54.381 bonds (distance) P-C4' energy: -60.180 flat angles C4'-P-C4' energy: -74.111 flat angles P-C4'-P energy: -45.202 tors. eta vs tors. theta energy: -97.279 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: 9 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -929.635929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.635929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.635929 (E_RNA) where: Base-Base interactions energy: -618.572 where: short stacking energy: -263.492 Base-Backbone interact. energy: -0.956 local terms energy: -310.108509 where: bonds (distance) C4'-P energy: -63.136 bonds (distance) P-C4' energy: -66.895 flat angles C4'-P-C4' energy: -65.422 flat angles P-C4'-P energy: -35.270 tors. eta vs tors. theta energy: -79.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -816.416396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.416396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.416396 (E_RNA) where: Base-Base interactions energy: -534.100 where: short stacking energy: -244.651 Base-Backbone interact. energy: -0.230 local terms energy: -282.086309 where: bonds (distance) C4'-P energy: -55.521 bonds (distance) P-C4' energy: -66.312 flat angles C4'-P-C4' energy: -68.682 flat angles P-C4'-P energy: -33.397 tors. eta vs tors. theta energy: -58.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -747.242091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.242091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.242091 (E_RNA) where: Base-Base interactions energy: -485.945 where: short stacking energy: -208.641 Base-Backbone interact. energy: -0.334 local terms energy: -260.963193 where: bonds (distance) C4'-P energy: -56.407 bonds (distance) P-C4' energy: -52.849 flat angles C4'-P-C4' energy: -64.010 flat angles P-C4'-P energy: -36.170 tors. eta vs tors. theta energy: -51.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -667.452811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.452811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.452811 (E_RNA) where: Base-Base interactions energy: -448.733 where: short stacking energy: -197.137 Base-Backbone interact. energy: -1.789 local terms energy: -216.931076 where: bonds (distance) C4'-P energy: -35.672 bonds (distance) P-C4' energy: -52.405 flat angles C4'-P-C4' energy: -51.519 flat angles P-C4'-P energy: -36.501 tors. eta vs tors. theta energy: -40.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -564.267239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.267239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.267239 (E_RNA) where: Base-Base interactions energy: -340.365 where: short stacking energy: -154.017 Base-Backbone interact. energy: -2.399 local terms energy: -221.503042 where: bonds (distance) C4'-P energy: -46.667 bonds (distance) P-C4' energy: -61.780 flat angles C4'-P-C4' energy: -42.746 flat angles P-C4'-P energy: -45.488 tors. eta vs tors. theta energy: -24.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -400.605310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.605310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.605310 (E_RNA) where: Base-Base interactions energy: -207.038 where: short stacking energy: -113.728 Base-Backbone interact. energy: 0.467 local terms energy: -194.034473 where: bonds (distance) C4'-P energy: -55.606 bonds (distance) P-C4' energy: -47.032 flat angles C4'-P-C4' energy: -45.949 flat angles P-C4'-P energy: -30.519 tors. eta vs tors. theta energy: -14.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1196.885181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.885181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.885181 (E_RNA) where: Base-Base interactions energy: -829.354 where: short stacking energy: -353.807 Base-Backbone interact. energy: -2.182 local terms energy: -365.348999 where: bonds (distance) C4'-P energy: -67.108 bonds (distance) P-C4' energy: -64.055 flat angles C4'-P-C4' energy: -74.587 flat angles P-C4'-P energy: -51.939 tors. eta vs tors. theta energy: -107.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1122.913809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.913809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.913809 (E_RNA) where: Base-Base interactions energy: -788.334 where: short stacking energy: -331.652 Base-Backbone interact. energy: -0.447 local terms energy: -334.132396 where: bonds (distance) C4'-P energy: -63.885 bonds (distance) P-C4' energy: -60.657 flat angles C4'-P-C4' energy: -68.751 flat angles P-C4'-P energy: -47.562 tors. eta vs tors. theta energy: -93.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1054.592213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.592213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.592213 (E_RNA) where: Base-Base interactions energy: -736.547 where: short stacking energy: -308.290 Base-Backbone interact. energy: -0.163 local terms energy: -317.882645 where: bonds (distance) C4'-P energy: -56.081 bonds (distance) P-C4' energy: -68.969 flat angles C4'-P-C4' energy: -62.503 flat angles P-C4'-P energy: -34.276 tors. eta vs tors. theta energy: -96.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1045.733612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.733612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.733612 (E_RNA) where: Base-Base interactions energy: -730.814 where: short stacking energy: -295.298 Base-Backbone interact. energy: -1.890 local terms energy: -313.029592 where: bonds (distance) C4'-P energy: -49.243 bonds (distance) P-C4' energy: -55.639 flat angles C4'-P-C4' energy: -68.752 flat angles P-C4'-P energy: -51.953 tors. eta vs tors. theta energy: -87.443 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: 9 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -888.606409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.606409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.606409 (E_RNA) where: Base-Base interactions energy: -576.704 where: short stacking energy: -270.007 Base-Backbone interact. energy: -0.436 local terms energy: -311.466661 where: bonds (distance) C4'-P energy: -61.413 bonds (distance) P-C4' energy: -70.592 flat angles C4'-P-C4' energy: -65.676 flat angles P-C4'-P energy: -42.207 tors. eta vs tors. theta energy: -71.579 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: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -836.135283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.135283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.135283 (E_RNA) where: Base-Base interactions energy: -558.263 where: short stacking energy: -245.721 Base-Backbone interact. energy: 5.524 local terms energy: -283.395884 where: bonds (distance) C4'-P energy: -53.693 bonds (distance) P-C4' energy: -66.022 flat angles C4'-P-C4' energy: -54.615 flat angles P-C4'-P energy: -43.169 tors. eta vs tors. theta energy: -65.896 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: 239 Temperature: 1.200000 Total energy: -754.394764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.394764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.394764 (E_RNA) where: Base-Base interactions energy: -502.972 where: short stacking energy: -240.271 Base-Backbone interact. energy: -0.654 local terms energy: -250.769481 where: bonds (distance) C4'-P energy: -46.080 bonds (distance) P-C4' energy: -48.832 flat angles C4'-P-C4' energy: -64.845 flat angles P-C4'-P energy: -30.403 tors. eta vs tors. theta energy: -60.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -653.545843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.545843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.545843 (E_RNA) where: Base-Base interactions energy: -407.938 where: short stacking energy: -184.352 Base-Backbone interact. energy: 5.427 local terms energy: -251.034603 where: bonds (distance) C4'-P energy: -50.071 bonds (distance) P-C4' energy: -59.016 flat angles C4'-P-C4' energy: -67.026 flat angles P-C4'-P energy: -28.244 tors. eta vs tors. theta energy: -46.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -561.229691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.229691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.229691 (E_RNA) where: Base-Base interactions energy: -343.727 where: short stacking energy: -167.295 Base-Backbone interact. energy: -0.821 local terms energy: -216.681986 where: bonds (distance) C4'-P energy: -47.491 bonds (distance) P-C4' energy: -64.045 flat angles C4'-P-C4' energy: -55.014 flat angles P-C4'-P energy: -33.396 tors. eta vs tors. theta energy: -16.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -363.221048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.221048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.221048 (E_RNA) where: Base-Base interactions energy: -176.444 where: short stacking energy: -121.826 Base-Backbone interact. energy: 2.577 local terms energy: -189.354190 where: bonds (distance) C4'-P energy: -50.058 bonds (distance) P-C4' energy: -57.269 flat angles C4'-P-C4' energy: -43.813 flat angles P-C4'-P energy: -33.499 tors. eta vs tors. theta energy: -4.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1186.477703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.477703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.477703 (E_RNA) where: Base-Base interactions energy: -830.459 where: short stacking energy: -358.769 Base-Backbone interact. energy: -1.500 local terms energy: -354.518568 where: bonds (distance) C4'-P energy: -61.157 bonds (distance) P-C4' energy: -65.604 flat angles C4'-P-C4' energy: -70.027 flat angles P-C4'-P energy: -54.976 tors. eta vs tors. theta energy: -102.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1147.987723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.987723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.987723 (E_RNA) where: Base-Base interactions energy: -781.534 where: short stacking energy: -327.874 Base-Backbone interact. energy: -0.787 local terms energy: -365.667031 where: bonds (distance) C4'-P energy: -62.207 bonds (distance) P-C4' energy: -73.013 flat angles C4'-P-C4' energy: -78.384 flat angles P-C4'-P energy: -52.827 tors. eta vs tors. theta energy: -99.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1073.999536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.999536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.999536 (E_RNA) where: Base-Base interactions energy: -746.486 where: short stacking energy: -304.591 Base-Backbone interact. energy: -0.938 local terms energy: -326.576150 where: bonds (distance) C4'-P energy: -57.509 bonds (distance) P-C4' energy: -61.296 flat angles C4'-P-C4' energy: -68.680 flat angles P-C4'-P energy: -46.079 tors. eta vs tors. theta energy: -93.012 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: 3 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1038.970160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.970160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.970160 (E_RNA) where: Base-Base interactions energy: -718.260 where: short stacking energy: -330.210 Base-Backbone interact. energy: -0.424 local terms energy: -320.286324 where: bonds (distance) C4'-P energy: -50.069 bonds (distance) P-C4' energy: -53.532 flat angles C4'-P-C4' energy: -62.442 flat angles P-C4'-P energy: -49.926 tors. eta vs tors. theta energy: -104.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -864.680647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.680647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.680647 (E_RNA) where: Base-Base interactions energy: -588.939 where: short stacking energy: -264.906 Base-Backbone interact. energy: -0.863 local terms energy: -274.878442 where: bonds (distance) C4'-P energy: -48.549 bonds (distance) P-C4' energy: -58.806 flat angles C4'-P-C4' energy: -65.825 flat angles P-C4'-P energy: -36.769 tors. eta vs tors. theta energy: -64.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -846.597138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.597138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.597138 (E_RNA) where: Base-Base interactions energy: -573.175 where: short stacking energy: -254.763 Base-Backbone interact. energy: 0.848 local terms energy: -274.269416 where: bonds (distance) C4'-P energy: -55.380 bonds (distance) P-C4' energy: -58.632 flat angles C4'-P-C4' energy: -59.119 flat angles P-C4'-P energy: -34.573 tors. eta vs tors. theta energy: -66.565 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: 4 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -775.822452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.822452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.822452 (E_RNA) where: Base-Base interactions energy: -490.788 where: short stacking energy: -234.500 Base-Backbone interact. energy: -0.716 local terms energy: -284.317865 where: bonds (distance) C4'-P energy: -54.654 bonds (distance) P-C4' energy: -63.544 flat angles C4'-P-C4' energy: -65.740 flat angles P-C4'-P energy: -39.742 tors. eta vs tors. theta energy: -60.638 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: 8, replica: 5 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -629.648136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.648136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.648136 (E_RNA) where: Base-Base interactions energy: -417.051 where: short stacking energy: -188.921 Base-Backbone interact. energy: 2.646 local terms energy: -215.242869 where: bonds (distance) C4'-P energy: -61.051 bonds (distance) P-C4' energy: -36.191 flat angles C4'-P-C4' energy: -52.823 flat angles P-C4'-P energy: -30.835 tors. eta vs tors. theta energy: -34.344 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: 9, replica: 7 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -583.894676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.894676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.894676 (E_RNA) where: Base-Base interactions energy: -374.984 where: short stacking energy: -166.069 Base-Backbone interact. energy: -0.182 local terms energy: -208.728626 where: bonds (distance) C4'-P energy: -54.161 bonds (distance) P-C4' energy: -53.918 flat angles C4'-P-C4' energy: -52.494 flat angles P-C4'-P energy: -29.595 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: 10, replica: 2 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -360.910721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.910721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.910721 (E_RNA) where: Base-Base interactions energy: -194.474 where: short stacking energy: -117.405 Base-Backbone interact. energy: -1.468 local terms energy: -164.968642 where: bonds (distance) C4'-P energy: -55.646 bonds (distance) P-C4' energy: -51.672 flat angles C4'-P-C4' energy: -51.271 flat angles P-C4'-P energy: -12.735 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: 1, replica: 8 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1176.268544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.268544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.268544 (E_RNA) where: Base-Base interactions energy: -812.105 where: short stacking energy: -347.011 Base-Backbone interact. energy: -4.301 local terms energy: -359.862464 where: bonds (distance) C4'-P energy: -65.684 bonds (distance) P-C4' energy: -64.133 flat angles C4'-P-C4' energy: -77.905 flat angles P-C4'-P energy: -49.495 tors. eta vs tors. theta energy: -102.647 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: 10 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1128.435804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.435804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.435804 (E_RNA) where: Base-Base interactions energy: -780.607 where: short stacking energy: -329.330 Base-Backbone interact. energy: -0.695 local terms energy: -347.133203 where: bonds (distance) C4'-P energy: -60.912 bonds (distance) P-C4' energy: -69.489 flat angles C4'-P-C4' energy: -71.442 flat angles P-C4'-P energy: -49.480 tors. eta vs tors. theta energy: -95.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1041.311845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.311845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.311845 (E_RNA) where: Base-Base interactions energy: -702.046 where: short stacking energy: -284.541 Base-Backbone interact. energy: -1.516 local terms energy: -337.750697 where: bonds (distance) C4'-P energy: -64.544 bonds (distance) P-C4' energy: -62.008 flat angles C4'-P-C4' energy: -74.635 flat angles P-C4'-P energy: -40.470 tors. eta vs tors. theta energy: -96.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1055.896469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.896469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.896469 (E_RNA) where: Base-Base interactions energy: -723.219 where: short stacking energy: -316.879 Base-Backbone interact. energy: -0.589 local terms energy: -332.088167 where: bonds (distance) C4'-P energy: -56.546 bonds (distance) P-C4' energy: -60.625 flat angles C4'-P-C4' energy: -71.390 flat angles P-C4'-P energy: -48.585 tors. eta vs tors. theta energy: -94.942 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: 9 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -896.219439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.219439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.219439 (E_RNA) where: Base-Base interactions energy: -607.680 where: short stacking energy: -260.835 Base-Backbone interact. energy: -0.221 local terms energy: -288.318192 where: bonds (distance) C4'-P energy: -58.957 bonds (distance) P-C4' energy: -57.560 flat angles C4'-P-C4' energy: -68.917 flat angles P-C4'-P energy: -40.279 tors. eta vs tors. theta energy: -62.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -864.764210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.764210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.764210 (E_RNA) where: Base-Base interactions energy: -578.444 where: short stacking energy: -243.684 Base-Backbone interact. energy: 0.984 local terms energy: -287.303474 where: bonds (distance) C4'-P energy: -62.915 bonds (distance) P-C4' energy: -51.629 flat angles C4'-P-C4' energy: -65.681 flat angles P-C4'-P energy: -42.413 tors. eta vs tors. theta energy: -64.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -756.251563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.251563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.251563 (E_RNA) where: Base-Base interactions energy: -487.378 where: short stacking energy: -217.603 Base-Backbone interact. energy: -1.842 local terms energy: -267.030929 where: bonds (distance) C4'-P energy: -58.500 bonds (distance) P-C4' energy: -57.977 flat angles C4'-P-C4' energy: -50.376 flat angles P-C4'-P energy: -50.987 tors. eta vs tors. theta energy: -49.191 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: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -618.838689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.838689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.838689 (E_RNA) where: Base-Base interactions energy: -391.029 where: short stacking energy: -168.133 Base-Backbone interact. energy: -1.062 local terms energy: -226.747159 where: bonds (distance) C4'-P energy: -69.731 bonds (distance) P-C4' energy: -42.668 flat angles C4'-P-C4' energy: -52.199 flat angles P-C4'-P energy: -41.344 tors. eta vs tors. theta energy: -20.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -608.716437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.716437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.716437 (E_RNA) where: Base-Base interactions energy: -373.703 where: short stacking energy: -172.018 Base-Backbone interact. energy: -0.088 local terms energy: -234.924670 where: bonds (distance) C4'-P energy: -47.385 bonds (distance) P-C4' energy: -65.499 flat angles C4'-P-C4' energy: -56.789 flat angles P-C4'-P energy: -27.316 tors. eta vs tors. theta energy: -37.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -387.151737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.151737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.151737 (E_RNA) where: Base-Base interactions energy: -196.641 where: short stacking energy: -97.306 Base-Backbone interact. energy: 0.171 local terms energy: -190.681506 where: bonds (distance) C4'-P energy: -54.527 bonds (distance) P-C4' energy: -57.645 flat angles C4'-P-C4' energy: -51.322 flat angles P-C4'-P energy: -24.722 tors. eta vs tors. theta energy: -2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1158.345032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.345032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.345032 (E_RNA) where: Base-Base interactions energy: -812.984 where: short stacking energy: -334.749 Base-Backbone interact. energy: -0.671 local terms energy: -344.690274 where: bonds (distance) C4'-P energy: -66.058 bonds (distance) P-C4' energy: -68.960 flat angles C4'-P-C4' energy: -78.668 flat angles P-C4'-P energy: -37.629 tors. eta vs tors. theta energy: -93.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1124.356875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.356875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.356875 (E_RNA) where: Base-Base interactions energy: -783.257 where: short stacking energy: -338.186 Base-Backbone interact. energy: -1.044 local terms energy: -340.055758 where: bonds (distance) C4'-P energy: -63.279 bonds (distance) P-C4' energy: -61.198 flat angles C4'-P-C4' energy: -73.417 flat angles P-C4'-P energy: -42.279 tors. eta vs tors. theta energy: -99.883 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: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1078.584505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.584505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.584505 (E_RNA) where: Base-Base interactions energy: -728.943 where: short stacking energy: -329.481 Base-Backbone interact. energy: -0.953 local terms energy: -348.688391 where: bonds (distance) C4'-P energy: -71.160 bonds (distance) P-C4' energy: -58.186 flat angles C4'-P-C4' energy: -73.934 flat angles P-C4'-P energy: -50.710 tors. eta vs tors. theta energy: -94.699 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: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1009.615155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.615155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.615155 (E_RNA) where: Base-Base interactions energy: -715.514 where: short stacking energy: -299.411 Base-Backbone interact. energy: -1.400 local terms energy: -292.700616 where: bonds (distance) C4'-P energy: -36.703 bonds (distance) P-C4' energy: -58.472 flat angles C4'-P-C4' energy: -61.976 flat angles P-C4'-P energy: -45.798 tors. eta vs tors. theta energy: -89.751 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: 1 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -842.756958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.756958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.756958 (E_RNA) where: Base-Base interactions energy: -565.081 where: short stacking energy: -241.314 Base-Backbone interact. energy: -0.953 local terms energy: -276.723209 where: bonds (distance) C4'-P energy: -56.733 bonds (distance) P-C4' energy: -64.576 flat angles C4'-P-C4' energy: -71.124 flat angles P-C4'-P energy: -27.808 tors. eta vs tors. theta energy: -56.483 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: 6, replica: 9 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -879.261234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.261234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.261234 (E_RNA) where: Base-Base interactions energy: -599.042 where: short stacking energy: -258.944 Base-Backbone interact. energy: 0.157 local terms energy: -280.377012 where: bonds (distance) C4'-P energy: -57.850 bonds (distance) P-C4' energy: -49.433 flat angles C4'-P-C4' energy: -66.968 flat angles P-C4'-P energy: -38.281 tors. eta vs tors. theta energy: -67.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -762.891250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.891250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.891250 (E_RNA) where: Base-Base interactions energy: -491.860 where: short stacking energy: -216.914 Base-Backbone interact. energy: 1.734 local terms energy: -272.765469 where: bonds (distance) C4'-P energy: -63.517 bonds (distance) P-C4' energy: -56.827 flat angles C4'-P-C4' energy: -59.912 flat angles P-C4'-P energy: -38.819 tors. eta vs tors. theta energy: -53.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -619.466522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.466522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.466522 (E_RNA) where: Base-Base interactions energy: -389.133 where: short stacking energy: -177.266 Base-Backbone interact. energy: -0.746 local terms energy: -229.587607 where: bonds (distance) C4'-P energy: -47.543 bonds (distance) P-C4' energy: -65.879 flat angles C4'-P-C4' energy: -47.316 flat angles P-C4'-P energy: -39.082 tors. eta vs tors. theta energy: -29.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -571.329304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.329304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.329304 (E_RNA) where: Base-Base interactions energy: -345.545 where: short stacking energy: -159.180 Base-Backbone interact. energy: 1.496 local terms energy: -227.280688 where: bonds (distance) C4'-P energy: -44.634 bonds (distance) P-C4' energy: -57.611 flat angles C4'-P-C4' energy: -58.610 flat angles P-C4'-P energy: -31.996 tors. eta vs tors. theta energy: -34.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -363.492688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.492688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.492688 (E_RNA) where: Base-Base interactions energy: -157.868 where: short stacking energy: -98.494 Base-Backbone interact. energy: -1.033 local terms energy: -204.591895 where: bonds (distance) C4'-P energy: -61.951 bonds (distance) P-C4' energy: -64.161 flat angles C4'-P-C4' energy: -42.849 flat angles P-C4'-P energy: -36.815 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: 8 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1159.904900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.904900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.904900 (E_RNA) where: Base-Base interactions energy: -802.308 where: short stacking energy: -345.834 Base-Backbone interact. energy: -1.152 local terms energy: -356.444956 where: bonds (distance) C4'-P energy: -61.708 bonds (distance) P-C4' energy: -68.494 flat angles C4'-P-C4' energy: -80.280 flat angles P-C4'-P energy: -48.786 tors. eta vs tors. theta energy: -97.177 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: 243 Temperature: 0.950000 Total energy: -1124.730706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.730706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.730706 (E_RNA) where: Base-Base interactions energy: -787.927 where: short stacking energy: -331.115 Base-Backbone interact. energy: -0.249 local terms energy: -336.555107 where: bonds (distance) C4'-P energy: -65.038 bonds (distance) P-C4' energy: -57.371 flat angles C4'-P-C4' energy: -71.624 flat angles P-C4'-P energy: -44.779 tors. eta vs tors. theta energy: -97.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1077.791661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.791661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.791661 (E_RNA) where: Base-Base interactions energy: -750.659 where: short stacking energy: -329.896 Base-Backbone interact. energy: -1.783 local terms energy: -325.349026 where: bonds (distance) C4'-P energy: -59.203 bonds (distance) P-C4' energy: -64.506 flat angles C4'-P-C4' energy: -63.988 flat angles P-C4'-P energy: -49.827 tors. eta vs tors. theta energy: -87.825 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: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1028.619984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.619984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.619984 (E_RNA) where: Base-Base interactions energy: -706.322 where: short stacking energy: -300.772 Base-Backbone interact. energy: -2.303 local terms energy: -319.994525 where: bonds (distance) C4'-P energy: -59.128 bonds (distance) P-C4' energy: -64.954 flat angles C4'-P-C4' energy: -62.564 flat angles P-C4'-P energy: -43.880 tors. eta vs tors. theta energy: -89.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -867.476251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.476251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.476251 (E_RNA) where: Base-Base interactions energy: -582.926 where: short stacking energy: -247.016 Base-Backbone interact. energy: -1.253 local terms energy: -283.297161 where: bonds (distance) C4'-P energy: -52.530 bonds (distance) P-C4' energy: -64.347 flat angles C4'-P-C4' energy: -70.532 flat angles P-C4'-P energy: -32.303 tors. eta vs tors. theta energy: -63.584 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: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -916.336098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.336098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.336098 (E_RNA) where: Base-Base interactions energy: -611.698 where: short stacking energy: -239.337 Base-Backbone interact. energy: 0.585 local terms energy: -305.223923 where: bonds (distance) C4'-P energy: -69.198 bonds (distance) P-C4' energy: -59.200 flat angles C4'-P-C4' energy: -66.242 flat angles P-C4'-P energy: -44.786 tors. eta vs tors. theta energy: -65.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -798.180826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.180826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.180826 (E_RNA) where: Base-Base interactions energy: -525.906 where: short stacking energy: -237.258 Base-Backbone interact. energy: 0.870 local terms energy: -273.144951 where: bonds (distance) C4'-P energy: -58.245 bonds (distance) P-C4' energy: -54.798 flat angles C4'-P-C4' energy: -59.435 flat angles P-C4'-P energy: -39.028 tors. eta vs tors. theta energy: -61.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -657.899750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.899750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.899750 (E_RNA) where: Base-Base interactions energy: -414.004 where: short stacking energy: -189.007 Base-Backbone interact. energy: 7.369 local terms energy: -251.265102 where: bonds (distance) C4'-P energy: -57.017 bonds (distance) P-C4' energy: -66.211 flat angles C4'-P-C4' energy: -59.653 flat angles P-C4'-P energy: -33.594 tors. eta vs tors. theta energy: -34.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -573.676056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.676056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.676056 (E_RNA) where: Base-Base interactions energy: -351.110 where: short stacking energy: -165.325 Base-Backbone interact. energy: 6.466 local terms energy: -229.031921 where: bonds (distance) C4'-P energy: -57.022 bonds (distance) P-C4' energy: -57.364 flat angles C4'-P-C4' energy: -50.190 flat angles P-C4'-P energy: -39.557 tors. eta vs tors. theta energy: -24.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -361.433199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.433199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.433199 (E_RNA) where: Base-Base interactions energy: -171.308 where: short stacking energy: -95.622 Base-Backbone interact. energy: -1.714 local terms energy: -188.411099 where: bonds (distance) C4'-P energy: -46.145 bonds (distance) P-C4' energy: -52.353 flat angles C4'-P-C4' energy: -50.428 flat angles P-C4'-P energy: -32.121 tors. eta vs tors. theta energy: -7.365 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: 8 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1171.579286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.579286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.579286 (E_RNA) where: Base-Base interactions energy: -815.156 where: short stacking energy: -338.134 Base-Backbone interact. energy: -1.094 local terms energy: -355.329768 where: bonds (distance) C4'-P energy: -68.663 bonds (distance) P-C4' energy: -68.978 flat angles C4'-P-C4' energy: -79.034 flat angles P-C4'-P energy: -47.399 tors. eta vs tors. theta energy: -91.256 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: 2, replica: 10 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1110.195470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.195470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.195470 (E_RNA) where: Base-Base interactions energy: -761.643 where: short stacking energy: -335.256 Base-Backbone interact. energy: -1.271 local terms energy: -347.281491 where: bonds (distance) C4'-P energy: -55.210 bonds (distance) P-C4' energy: -67.769 flat angles C4'-P-C4' energy: -79.858 flat angles P-C4'-P energy: -45.466 tors. eta vs tors. theta energy: -98.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1076.387693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.387693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.387693 (E_RNA) where: Base-Base interactions energy: -742.235 where: short stacking energy: -321.354 Base-Backbone interact. energy: -3.037 local terms energy: -331.115147 where: bonds (distance) C4'-P energy: -57.706 bonds (distance) P-C4' energy: -60.187 flat angles C4'-P-C4' energy: -73.388 flat angles P-C4'-P energy: -45.255 tors. eta vs tors. theta energy: -94.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1006.925205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.925205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.925205 (E_RNA) where: Base-Base interactions energy: -694.919 where: short stacking energy: -295.647 Base-Backbone interact. energy: -1.010 local terms energy: -310.995913 where: bonds (distance) C4'-P energy: -52.220 bonds (distance) P-C4' energy: -61.778 flat angles C4'-P-C4' energy: -70.962 flat angles P-C4'-P energy: -44.481 tors. eta vs tors. theta energy: -81.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -888.891747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.891747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.891747 (E_RNA) where: Base-Base interactions energy: -593.881 where: short stacking energy: -268.089 Base-Backbone interact. energy: -0.053 local terms energy: -294.957171 where: bonds (distance) C4'-P energy: -63.451 bonds (distance) P-C4' energy: -55.268 flat angles C4'-P-C4' energy: -63.934 flat angles P-C4'-P energy: -51.302 tors. eta vs tors. theta energy: -61.003 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: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -882.988203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.988203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.988203 (E_RNA) where: Base-Base interactions energy: -589.227 where: short stacking energy: -261.883 Base-Backbone interact. energy: -2.427 local terms energy: -291.334009 where: bonds (distance) C4'-P energy: -60.950 bonds (distance) P-C4' energy: -61.259 flat angles C4'-P-C4' energy: -59.158 flat angles P-C4'-P energy: -37.362 tors. eta vs tors. theta energy: -72.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -761.426485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.426485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.426485 (E_RNA) where: Base-Base interactions energy: -478.840 where: short stacking energy: -215.426 Base-Backbone interact. energy: -0.964 local terms energy: -281.622113 where: bonds (distance) C4'-P energy: -55.888 bonds (distance) P-C4' energy: -60.334 flat angles C4'-P-C4' energy: -72.015 flat angles P-C4'-P energy: -44.427 tors. eta vs tors. theta energy: -48.958 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: 5 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -676.106874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.106874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.106874 (E_RNA) where: Base-Base interactions energy: -434.803 where: short stacking energy: -208.965 Base-Backbone interact. energy: 0.207 local terms energy: -241.511618 where: bonds (distance) C4'-P energy: -52.484 bonds (distance) P-C4' energy: -48.969 flat angles C4'-P-C4' energy: -64.980 flat angles P-C4'-P energy: -37.022 tors. eta vs tors. theta energy: -38.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -589.660830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.660830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.660830 (E_RNA) where: Base-Base interactions energy: -374.191 where: short stacking energy: -179.292 Base-Backbone interact. energy: 0.645 local terms energy: -216.114344 where: bonds (distance) C4'-P energy: -48.910 bonds (distance) P-C4' energy: -61.290 flat angles C4'-P-C4' energy: -48.684 flat angles P-C4'-P energy: -27.570 tors. eta vs tors. theta energy: -29.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -366.546317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.546317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.546317 (E_RNA) where: Base-Base interactions energy: -175.430 where: short stacking energy: -103.569 Base-Backbone interact. energy: 1.744 local terms energy: -192.859703 where: bonds (distance) C4'-P energy: -52.110 bonds (distance) P-C4' energy: -53.798 flat angles C4'-P-C4' energy: -51.058 flat angles P-C4'-P energy: -31.439 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1172.987335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.987335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.987335 (E_RNA) where: Base-Base interactions energy: -821.718 where: short stacking energy: -346.934 Base-Backbone interact. energy: -2.241 local terms energy: -349.028737 where: bonds (distance) C4'-P energy: -61.167 bonds (distance) P-C4' energy: -64.420 flat angles C4'-P-C4' energy: -75.767 flat angles P-C4'-P energy: -48.720 tors. eta vs tors. theta energy: -98.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1113.271888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.271888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.271888 (E_RNA) where: Base-Base interactions energy: -774.232 where: short stacking energy: -308.540 Base-Backbone interact. energy: -0.712 local terms energy: -338.327324 where: bonds (distance) C4'-P energy: -63.794 bonds (distance) P-C4' energy: -61.873 flat angles C4'-P-C4' energy: -72.931 flat angles P-C4'-P energy: -46.619 tors. eta vs tors. theta energy: -93.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1095.164429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.164429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.164429 (E_RNA) where: Base-Base interactions energy: -747.418 where: short stacking energy: -353.940 Base-Backbone interact. energy: -0.359 local terms energy: -347.387402 where: bonds (distance) C4'-P energy: -66.980 bonds (distance) P-C4' energy: -59.927 flat angles C4'-P-C4' energy: -66.748 flat angles P-C4'-P energy: -51.314 tors. eta vs tors. theta energy: -102.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1022.989660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.989660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.989660 (E_RNA) where: Base-Base interactions energy: -693.756 where: short stacking energy: -303.799 Base-Backbone interact. energy: -1.536 local terms energy: -327.697125 where: bonds (distance) C4'-P energy: -59.241 bonds (distance) P-C4' energy: -63.237 flat angles C4'-P-C4' energy: -69.787 flat angles P-C4'-P energy: -43.279 tors. eta vs tors. theta energy: -92.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -864.562471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.562471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.562471 (E_RNA) where: Base-Base interactions energy: -595.261 where: short stacking energy: -252.563 Base-Backbone interact. energy: 0.514 local terms energy: -269.815152 where: bonds (distance) C4'-P energy: -49.020 bonds (distance) P-C4' energy: -54.253 flat angles C4'-P-C4' energy: -55.566 flat angles P-C4'-P energy: -45.545 tors. eta vs tors. theta energy: -65.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -871.294931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.294931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.294931 (E_RNA) where: Base-Base interactions energy: -584.406 where: short stacking energy: -258.803 Base-Backbone interact. energy: -1.796 local terms energy: -285.092851 where: bonds (distance) C4'-P energy: -63.560 bonds (distance) P-C4' energy: -53.758 flat angles C4'-P-C4' energy: -55.272 flat angles P-C4'-P energy: -41.392 tors. eta vs tors. theta energy: -71.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -798.477887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.477887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.477887 (E_RNA) where: Base-Base interactions energy: -534.723 where: short stacking energy: -240.426 Base-Backbone interact. energy: 0.484 local terms energy: -264.238814 where: bonds (distance) C4'-P energy: -56.896 bonds (distance) P-C4' energy: -50.290 flat angles C4'-P-C4' energy: -53.267 flat angles P-C4'-P energy: -44.450 tors. eta vs tors. theta energy: -59.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -610.385976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.385976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.385976 (E_RNA) where: Base-Base interactions energy: -369.970 where: short stacking energy: -165.607 Base-Backbone interact. energy: 1.294 local terms energy: -241.709984 where: bonds (distance) C4'-P energy: -60.612 bonds (distance) P-C4' energy: -52.618 flat angles C4'-P-C4' energy: -48.031 flat angles P-C4'-P energy: -37.914 tors. eta vs tors. theta energy: -42.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -587.938697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.938697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.938697 (E_RNA) where: Base-Base interactions energy: -359.613 where: short stacking energy: -164.947 Base-Backbone interact. energy: 3.279 local terms energy: -231.604228 where: bonds (distance) C4'-P energy: -48.622 bonds (distance) P-C4' energy: -62.636 flat angles C4'-P-C4' energy: -51.817 flat angles P-C4'-P energy: -39.787 tors. eta vs tors. theta energy: -28.742 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: 10, replica: 2 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -414.298121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.298121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.298121 (E_RNA) where: Base-Base interactions energy: -227.765 where: short stacking energy: -107.810 Base-Backbone interact. energy: -0.139 local terms energy: -186.394033 where: bonds (distance) C4'-P energy: -56.945 bonds (distance) P-C4' energy: -62.326 flat angles C4'-P-C4' energy: -46.156 flat angles P-C4'-P energy: -25.182 tors. eta vs tors. theta energy: 4.215 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: 1, replica: 8 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1186.461491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.461491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.461491 (E_RNA) where: Base-Base interactions energy: -821.070 where: short stacking energy: -342.917 Base-Backbone interact. energy: -1.940 local terms energy: -363.451138 where: bonds (distance) C4'-P energy: -68.796 bonds (distance) P-C4' energy: -70.442 flat angles C4'-P-C4' energy: -67.445 flat angles P-C4'-P energy: -54.147 tors. eta vs tors. theta energy: -102.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1135.016137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.016137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.016137 (E_RNA) where: Base-Base interactions energy: -785.666 where: short stacking energy: -336.658 Base-Backbone interact. energy: -1.235 local terms energy: -348.115563 where: bonds (distance) C4'-P energy: -60.735 bonds (distance) P-C4' energy: -67.831 flat angles C4'-P-C4' energy: -71.449 flat angles P-C4'-P energy: -50.147 tors. eta vs tors. theta energy: -97.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1069.604165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.604165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.604165 (E_RNA) where: Base-Base interactions energy: -744.168 where: short stacking energy: -328.925 Base-Backbone interact. energy: -0.570 local terms energy: -324.865764 where: bonds (distance) C4'-P energy: -60.071 bonds (distance) P-C4' energy: -54.593 flat angles C4'-P-C4' energy: -72.823 flat angles P-C4'-P energy: -42.388 tors. eta vs tors. theta energy: -94.991 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: 4, replica: 6 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1047.513731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.513731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.513731 (E_RNA) where: Base-Base interactions energy: -719.716 where: short stacking energy: -291.709 Base-Backbone interact. energy: -0.695 local terms energy: -327.102742 where: bonds (distance) C4'-P energy: -63.889 bonds (distance) P-C4' energy: -58.221 flat angles C4'-P-C4' energy: -66.714 flat angles P-C4'-P energy: -48.659 tors. eta vs tors. theta energy: -89.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -883.526852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.526852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.526852 (E_RNA) where: Base-Base interactions energy: -581.956 where: short stacking energy: -265.561 Base-Backbone interact. energy: -0.066 local terms energy: -301.504581 where: bonds (distance) C4'-P energy: -60.201 bonds (distance) P-C4' energy: -66.608 flat angles C4'-P-C4' energy: -56.138 flat angles P-C4'-P energy: -49.107 tors. eta vs tors. theta energy: -69.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -857.853177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.853177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.853177 (E_RNA) where: Base-Base interactions energy: -570.597 where: short stacking energy: -249.592 Base-Backbone interact. energy: 0.644 local terms energy: -287.900605 where: bonds (distance) C4'-P energy: -59.502 bonds (distance) P-C4' energy: -62.652 flat angles C4'-P-C4' energy: -58.594 flat angles P-C4'-P energy: -43.719 tors. eta vs tors. theta energy: -63.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -757.062812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.062812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.062812 (E_RNA) where: Base-Base interactions energy: -492.067 where: short stacking energy: -212.894 Base-Backbone interact. energy: 1.369 local terms energy: -266.364834 where: bonds (distance) C4'-P energy: -57.536 bonds (distance) P-C4' energy: -53.632 flat angles C4'-P-C4' energy: -59.534 flat angles P-C4'-P energy: -44.110 tors. eta vs tors. theta energy: -51.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -614.712315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.712315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.712315 (E_RNA) where: Base-Base interactions energy: -369.492 where: short stacking energy: -183.272 Base-Backbone interact. energy: 0.187 local terms energy: -245.406862 where: bonds (distance) C4'-P energy: -49.185 bonds (distance) P-C4' energy: -70.306 flat angles C4'-P-C4' energy: -53.792 flat angles P-C4'-P energy: -32.697 tors. eta vs tors. theta energy: -39.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -507.002131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.002131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.002131 (E_RNA) where: Base-Base interactions energy: -306.783 where: short stacking energy: -158.226 Base-Backbone interact. energy: 0.931 local terms energy: -201.150102 where: bonds (distance) C4'-P energy: -53.081 bonds (distance) P-C4' energy: -35.477 flat angles C4'-P-C4' energy: -51.291 flat angles P-C4'-P energy: -46.918 tors. eta vs tors. theta energy: -14.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -446.154597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.154597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.154597 (E_RNA) where: Base-Base interactions energy: -244.334 where: short stacking energy: -126.051 Base-Backbone interact. energy: 0.313 local terms energy: -202.133258 where: bonds (distance) C4'-P energy: -53.111 bonds (distance) P-C4' energy: -53.780 flat angles C4'-P-C4' energy: -51.090 flat angles P-C4'-P energy: -29.211 tors. eta vs tors. theta energy: -14.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1167.930504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.930504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.930504 (E_RNA) where: Base-Base interactions energy: -810.353 where: short stacking energy: -341.788 Base-Backbone interact. energy: 0.156 local terms energy: -357.733982 where: bonds (distance) C4'-P energy: -61.849 bonds (distance) P-C4' energy: -72.942 flat angles C4'-P-C4' energy: -65.906 flat angles P-C4'-P energy: -52.487 tors. eta vs tors. theta energy: -104.551 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: 2, replica: 10 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1134.613536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.613536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.613536 (E_RNA) where: Base-Base interactions energy: -800.800 where: short stacking energy: -323.869 Base-Backbone interact. energy: 1.130 local terms energy: -334.943755 where: bonds (distance) C4'-P energy: -66.781 bonds (distance) P-C4' energy: -56.955 flat angles C4'-P-C4' energy: -70.267 flat angles P-C4'-P energy: -49.561 tors. eta vs tors. theta energy: -91.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1096.053886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.053886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.053886 (E_RNA) where: Base-Base interactions energy: -748.757 where: short stacking energy: -343.210 Base-Backbone interact. energy: -1.106 local terms energy: -346.191125 where: bonds (distance) C4'-P energy: -59.715 bonds (distance) P-C4' energy: -60.716 flat angles C4'-P-C4' energy: -74.541 flat angles P-C4'-P energy: -41.017 tors. eta vs tors. theta energy: -110.202 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: 4, replica: 6 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1032.021239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.021239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.021239 (E_RNA) where: Base-Base interactions energy: -710.177 where: short stacking energy: -300.386 Base-Backbone interact. energy: -0.840 local terms energy: -321.004013 where: bonds (distance) C4'-P energy: -55.125 bonds (distance) P-C4' energy: -54.693 flat angles C4'-P-C4' energy: -79.891 flat angles P-C4'-P energy: -46.280 tors. eta vs tors. theta energy: -85.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -913.597895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.597895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.597895 (E_RNA) where: Base-Base interactions energy: -612.335 where: short stacking energy: -276.424 Base-Backbone interact. energy: 1.009 local terms energy: -302.272741 where: bonds (distance) C4'-P energy: -62.536 bonds (distance) P-C4' energy: -61.731 flat angles C4'-P-C4' energy: -63.979 flat angles P-C4'-P energy: -35.627 tors. eta vs tors. theta energy: -78.399 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: 1 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -829.833297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.833297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.833297 (E_RNA) where: Base-Base interactions energy: -550.813 where: short stacking energy: -248.154 Base-Backbone interact. energy: -1.670 local terms energy: -277.350320 where: bonds (distance) C4'-P energy: -51.257 bonds (distance) P-C4' energy: -53.313 flat angles C4'-P-C4' energy: -68.302 flat angles P-C4'-P energy: -41.623 tors. eta vs tors. theta energy: -62.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -756.982909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.982909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.982909 (E_RNA) where: Base-Base interactions energy: -500.238 where: short stacking energy: -214.395 Base-Backbone interact. energy: -1.038 local terms energy: -255.706607 where: bonds (distance) C4'-P energy: -58.740 bonds (distance) P-C4' energy: -58.251 flat angles C4'-P-C4' energy: -63.674 flat angles P-C4'-P energy: -21.366 tors. eta vs tors. theta energy: -53.675 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: 7 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -650.719615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.719615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.719615 (E_RNA) where: Base-Base interactions energy: -396.667 where: short stacking energy: -169.784 Base-Backbone interact. energy: 1.890 local terms energy: -255.942520 where: bonds (distance) C4'-P energy: -60.892 bonds (distance) P-C4' energy: -67.259 flat angles C4'-P-C4' energy: -52.892 flat angles P-C4'-P energy: -39.744 tors. eta vs tors. theta energy: -35.155 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: 5 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -506.516986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.516986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.516986 (E_RNA) where: Base-Base interactions energy: -301.862 where: short stacking energy: -151.228 Base-Backbone interact. energy: 0.508 local terms energy: -205.163408 where: bonds (distance) C4'-P energy: -62.300 bonds (distance) P-C4' energy: -48.669 flat angles C4'-P-C4' energy: -41.038 flat angles P-C4'-P energy: -38.726 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: 10, replica: 2 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -378.923016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.923016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.923016 (E_RNA) where: Base-Base interactions energy: -196.978 where: short stacking energy: -112.296 Base-Backbone interact. energy: -0.308 local terms energy: -181.636695 where: bonds (distance) C4'-P energy: -53.981 bonds (distance) P-C4' energy: -61.838 flat angles C4'-P-C4' energy: -50.370 flat angles P-C4'-P energy: -21.256 tors. eta vs tors. theta energy: 5.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1161.429741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.429741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.429741 (E_RNA) where: Base-Base interactions energy: -798.550 where: short stacking energy: -350.270 Base-Backbone interact. energy: -1.603 local terms energy: -361.276302 where: bonds (distance) C4'-P energy: -61.688 bonds (distance) P-C4' energy: -75.640 flat angles C4'-P-C4' energy: -74.056 flat angles P-C4'-P energy: -48.209 tors. eta vs tors. theta energy: -101.683 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: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1102.224045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.224045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.224045 (E_RNA) where: Base-Base interactions energy: -767.063 where: short stacking energy: -334.908 Base-Backbone interact. energy: -1.767 local terms energy: -333.394513 where: bonds (distance) C4'-P energy: -62.205 bonds (distance) P-C4' energy: -62.800 flat angles C4'-P-C4' energy: -67.188 flat angles P-C4'-P energy: -44.511 tors. eta vs tors. theta energy: -96.690 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: 248 Temperature: 1.000000 Total energy: -1090.152098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.152098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.152098 (E_RNA) where: Base-Base interactions energy: -749.660 where: short stacking energy: -323.138 Base-Backbone interact. energy: -1.437 local terms energy: -339.055335 where: bonds (distance) C4'-P energy: -55.069 bonds (distance) P-C4' energy: -60.923 flat angles C4'-P-C4' energy: -68.148 flat angles P-C4'-P energy: -49.518 tors. eta vs tors. theta energy: -105.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1039.902394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.902394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.902394 (E_RNA) where: Base-Base interactions energy: -715.085 where: short stacking energy: -304.160 Base-Backbone interact. energy: 1.517 local terms energy: -326.334549 where: bonds (distance) C4'-P energy: -62.014 bonds (distance) P-C4' energy: -66.225 flat angles C4'-P-C4' energy: -66.766 flat angles P-C4'-P energy: -43.716 tors. eta vs tors. theta energy: -87.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -934.259954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.259954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.259954 (E_RNA) where: Base-Base interactions energy: -631.740 where: short stacking energy: -290.578 Base-Backbone interact. energy: -1.599 local terms energy: -300.921182 where: bonds (distance) C4'-P energy: -58.011 bonds (distance) P-C4' energy: -63.107 flat angles C4'-P-C4' energy: -58.708 flat angles P-C4'-P energy: -42.617 tors. eta vs tors. theta energy: -78.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -853.297292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.297292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.297292 (E_RNA) where: Base-Base interactions energy: -569.856 where: short stacking energy: -253.201 Base-Backbone interact. energy: 0.688 local terms energy: -284.128750 where: bonds (distance) C4'-P energy: -61.161 bonds (distance) P-C4' energy: -65.128 flat angles C4'-P-C4' energy: -54.573 flat angles P-C4'-P energy: -42.400 tors. eta vs tors. theta energy: -60.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -762.881049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.881049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.881049 (E_RNA) where: Base-Base interactions energy: -502.462 where: short stacking energy: -229.530 Base-Backbone interact. energy: -1.160 local terms energy: -259.258951 where: bonds (distance) C4'-P energy: -50.705 bonds (distance) P-C4' energy: -48.871 flat angles C4'-P-C4' energy: -63.679 flat angles P-C4'-P energy: -36.594 tors. eta vs tors. theta energy: -59.410 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: 248 Temperature: 1.250000 Total energy: -627.081832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.081832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.081832 (E_RNA) where: Base-Base interactions energy: -375.365 where: short stacking energy: -184.167 Base-Backbone interact. energy: -1.451 local terms energy: -250.266352 where: bonds (distance) C4'-P energy: -58.738 bonds (distance) P-C4' energy: -60.454 flat angles C4'-P-C4' energy: -51.607 flat angles P-C4'-P energy: -42.918 tors. eta vs tors. theta energy: -36.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -555.320279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.320279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.320279 (E_RNA) where: Base-Base interactions energy: -353.711 where: short stacking energy: -149.670 Base-Backbone interact. energy: -0.590 local terms energy: -201.018513 where: bonds (distance) C4'-P energy: -55.036 bonds (distance) P-C4' energy: -57.376 flat angles C4'-P-C4' energy: -46.936 flat angles P-C4'-P energy: -27.023 tors. eta vs tors. theta energy: -14.648 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: 10, replica: 2 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -397.576851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.576851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.576851 (E_RNA) where: Base-Base interactions energy: -211.634 where: short stacking energy: -106.678 Base-Backbone interact. energy: -1.114 local terms energy: -184.828946 where: bonds (distance) C4'-P energy: -48.418 bonds (distance) P-C4' energy: -57.374 flat angles C4'-P-C4' energy: -43.190 flat angles P-C4'-P energy: -38.914 tors. eta vs tors. theta energy: 3.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1173.014255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.014255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.014255 (E_RNA) where: Base-Base interactions energy: -814.443 where: short stacking energy: -345.539 Base-Backbone interact. energy: -0.711 local terms energy: -357.860229 where: bonds (distance) C4'-P energy: -70.828 bonds (distance) P-C4' energy: -63.589 flat angles C4'-P-C4' energy: -73.042 flat angles P-C4'-P energy: -51.472 tors. eta vs tors. theta energy: -98.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1106.001305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.001305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.001305 (E_RNA) where: Base-Base interactions energy: -762.884 where: short stacking energy: -319.005 Base-Backbone interact. energy: -0.411 local terms energy: -342.706761 where: bonds (distance) C4'-P energy: -64.093 bonds (distance) P-C4' energy: -69.552 flat angles C4'-P-C4' energy: -69.758 flat angles P-C4'-P energy: -41.924 tors. eta vs tors. theta energy: -97.380 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: 3, replica: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1084.883936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.883936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.883936 (E_RNA) where: Base-Base interactions energy: -752.925 where: short stacking energy: -340.831 Base-Backbone interact. energy: -0.723 local terms energy: -331.236209 where: bonds (distance) C4'-P energy: -55.392 bonds (distance) P-C4' energy: -58.661 flat angles C4'-P-C4' energy: -66.420 flat angles P-C4'-P energy: -46.494 tors. eta vs tors. theta energy: -104.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1004.519356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.519356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.519356 (E_RNA) where: Base-Base interactions energy: -668.307 where: short stacking energy: -280.528 Base-Backbone interact. energy: -0.851 local terms energy: -335.361439 where: bonds (distance) C4'-P energy: -68.235 bonds (distance) P-C4' energy: -68.148 flat angles C4'-P-C4' energy: -69.482 flat angles P-C4'-P energy: -46.323 tors. eta vs tors. theta energy: -83.173 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: 9 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -933.697068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.697068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.697068 (E_RNA) where: Base-Base interactions energy: -636.544 where: short stacking energy: -274.190 Base-Backbone interact. energy: -0.213 local terms energy: -296.939881 where: bonds (distance) C4'-P energy: -67.469 bonds (distance) P-C4' energy: -57.656 flat angles C4'-P-C4' energy: -65.941 flat angles P-C4'-P energy: -34.558 tors. eta vs tors. theta energy: -71.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -833.347527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.347527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.347527 (E_RNA) where: Base-Base interactions energy: -556.351 where: short stacking energy: -248.843 Base-Backbone interact. energy: -0.136 local terms energy: -276.861047 where: bonds (distance) C4'-P energy: -53.722 bonds (distance) P-C4' energy: -52.205 flat angles C4'-P-C4' energy: -65.544 flat angles P-C4'-P energy: -47.160 tors. eta vs tors. theta energy: -58.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -799.513958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.513958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.513958 (E_RNA) where: Base-Base interactions energy: -502.946 where: short stacking energy: -223.364 Base-Backbone interact. energy: -1.529 local terms energy: -295.038418 where: bonds (distance) C4'-P energy: -57.096 bonds (distance) P-C4' energy: -60.411 flat angles C4'-P-C4' energy: -71.594 flat angles P-C4'-P energy: -50.126 tors. eta vs tors. theta energy: -55.811 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: 7 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -612.677504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.677504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.677504 (E_RNA) where: Base-Base interactions energy: -377.628 where: short stacking energy: -162.755 Base-Backbone interact. energy: 0.485 local terms energy: -235.534852 where: bonds (distance) C4'-P energy: -61.160 bonds (distance) P-C4' energy: -55.830 flat angles C4'-P-C4' energy: -53.463 flat angles P-C4'-P energy: -30.403 tors. eta vs tors. theta energy: -34.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -572.674095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.674095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.674095 (E_RNA) where: Base-Base interactions energy: -362.929 where: short stacking energy: -168.431 Base-Backbone interact. energy: 0.127 local terms energy: -209.871621 where: bonds (distance) C4'-P energy: -57.002 bonds (distance) P-C4' energy: -55.282 flat angles C4'-P-C4' energy: -40.907 flat angles P-C4'-P energy: -27.666 tors. eta vs tors. theta energy: -29.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -443.486436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.486436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.486436 (E_RNA) where: Base-Base interactions energy: -231.963 where: short stacking energy: -136.440 Base-Backbone interact. energy: 0.759 local terms energy: -212.282672 where: bonds (distance) C4'-P energy: -54.112 bonds (distance) P-C4' energy: -53.687 flat angles C4'-P-C4' energy: -49.938 flat angles P-C4'-P energy: -38.412 tors. eta vs tors. theta energy: -16.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1173.424828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.424828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.424828 (E_RNA) where: Base-Base interactions energy: -826.929 where: short stacking energy: -343.739 Base-Backbone interact. energy: -1.449 local terms energy: -345.046471 where: bonds (distance) C4'-P energy: -61.306 bonds (distance) P-C4' energy: -68.751 flat angles C4'-P-C4' energy: -75.015 flat angles P-C4'-P energy: -50.646 tors. eta vs tors. theta energy: -89.329 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: 10 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1119.792678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.792678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.792678 (E_RNA) where: Base-Base interactions energy: -781.258 where: short stacking energy: -324.063 Base-Backbone interact. energy: -2.825 local terms energy: -335.710405 where: bonds (distance) C4'-P energy: -59.311 bonds (distance) P-C4' energy: -60.748 flat angles C4'-P-C4' energy: -66.631 flat angles P-C4'-P energy: -53.897 tors. eta vs tors. theta energy: -95.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1101.680332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.680332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.680332 (E_RNA) where: Base-Base interactions energy: -746.415 where: short stacking energy: -344.713 Base-Backbone interact. energy: -1.552 local terms energy: -353.712945 where: bonds (distance) C4'-P energy: -65.493 bonds (distance) P-C4' energy: -59.948 flat angles C4'-P-C4' energy: -73.760 flat angles P-C4'-P energy: -47.642 tors. eta vs tors. theta energy: -106.870 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: 6 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1026.142004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.142004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.142004 (E_RNA) where: Base-Base interactions energy: -709.373 where: short stacking energy: -293.952 Base-Backbone interact. energy: -0.698 local terms energy: -316.071320 where: bonds (distance) C4'-P energy: -52.296 bonds (distance) P-C4' energy: -67.821 flat angles C4'-P-C4' energy: -70.216 flat angles P-C4'-P energy: -40.471 tors. eta vs tors. theta energy: -85.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -889.907257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.907257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.907257 (E_RNA) where: Base-Base interactions energy: -597.206 where: short stacking energy: -255.487 Base-Backbone interact. energy: -0.332 local terms energy: -292.369104 where: bonds (distance) C4'-P energy: -50.227 bonds (distance) P-C4' energy: -70.395 flat angles C4'-P-C4' energy: -58.115 flat angles P-C4'-P energy: -43.439 tors. eta vs tors. theta energy: -70.193 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: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -867.668872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.668872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.668872 (E_RNA) where: Base-Base interactions energy: -579.485 where: short stacking energy: -259.650 Base-Backbone interact. energy: 0.093 local terms energy: -288.276601 where: bonds (distance) C4'-P energy: -55.678 bonds (distance) P-C4' energy: -50.958 flat angles C4'-P-C4' energy: -72.508 flat angles P-C4'-P energy: -40.190 tors. eta vs tors. theta energy: -68.942 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: 4 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -805.153007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.153007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.153007 (E_RNA) where: Base-Base interactions energy: -533.189 where: short stacking energy: -232.567 Base-Backbone interact. energy: -2.382 local terms energy: -269.582231 where: bonds (distance) C4'-P energy: -37.222 bonds (distance) P-C4' energy: -63.707 flat angles C4'-P-C4' energy: -67.318 flat angles P-C4'-P energy: -45.315 tors. eta vs tors. theta energy: -56.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -647.174918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.174918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.174918 (E_RNA) where: Base-Base interactions energy: -396.376 where: short stacking energy: -207.769 Base-Backbone interact. energy: -0.714 local terms energy: -250.085080 where: bonds (distance) C4'-P energy: -42.125 bonds (distance) P-C4' energy: -74.928 flat angles C4'-P-C4' energy: -60.262 flat angles P-C4'-P energy: -30.981 tors. eta vs tors. theta energy: -41.789 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: 5 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -561.003826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.003826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.003826 (E_RNA) where: Base-Base interactions energy: -351.321 where: short stacking energy: -157.441 Base-Backbone interact. energy: 0.946 local terms energy: -210.628847 where: bonds (distance) C4'-P energy: -49.603 bonds (distance) P-C4' energy: -60.274 flat angles C4'-P-C4' energy: -44.672 flat angles P-C4'-P energy: -23.547 tors. eta vs tors. theta energy: -32.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -362.604322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.604322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.604322 (E_RNA) where: Base-Base interactions energy: -184.193 where: short stacking energy: -116.814 Base-Backbone interact. energy: 1.619 local terms energy: -180.031004 where: bonds (distance) C4'-P energy: -46.275 bonds (distance) P-C4' energy: -52.874 flat angles C4'-P-C4' energy: -50.934 flat angles P-C4'-P energy: -31.908 tors. eta vs tors. theta energy: 1.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1177.450351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.450351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.450351 (E_RNA) where: Base-Base interactions energy: -809.372 where: short stacking energy: -348.516 Base-Backbone interact. energy: -1.711 local terms energy: -366.367376 where: bonds (distance) C4'-P energy: -68.495 bonds (distance) P-C4' energy: -66.580 flat angles C4'-P-C4' energy: -75.788 flat angles P-C4'-P energy: -58.841 tors. eta vs tors. theta energy: -96.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1106.959659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.959659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.959659 (E_RNA) where: Base-Base interactions energy: -765.597 where: short stacking energy: -315.627 Base-Backbone interact. energy: 1.589 local terms energy: -342.951524 where: bonds (distance) C4'-P energy: -66.513 bonds (distance) P-C4' energy: -68.342 flat angles C4'-P-C4' energy: -69.126 flat angles P-C4'-P energy: -47.905 tors. eta vs tors. theta energy: -91.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1104.164443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.164443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.164443 (E_RNA) where: Base-Base interactions energy: -762.752 where: short stacking energy: -340.528 Base-Backbone interact. energy: 1.437 local terms energy: -342.849280 where: bonds (distance) C4'-P energy: -67.949 bonds (distance) P-C4' energy: -52.400 flat angles C4'-P-C4' energy: -72.222 flat angles P-C4'-P energy: -47.768 tors. eta vs tors. theta energy: -102.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1022.967457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.967457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.967457 (E_RNA) where: Base-Base interactions energy: -710.826 where: short stacking energy: -296.954 Base-Backbone interact. energy: -0.619 local terms energy: -311.522810 where: bonds (distance) C4'-P energy: -56.656 bonds (distance) P-C4' energy: -60.032 flat angles C4'-P-C4' energy: -65.747 flat angles P-C4'-P energy: -41.297 tors. eta vs tors. theta energy: -87.790 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: 1 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -940.849290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.849290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.849290 (E_RNA) where: Base-Base interactions energy: -639.055 where: short stacking energy: -257.794 Base-Backbone interact. energy: 0.071 local terms energy: -301.865305 where: bonds (distance) C4'-P energy: -57.985 bonds (distance) P-C4' energy: -59.584 flat angles C4'-P-C4' energy: -71.337 flat angles P-C4'-P energy: -40.422 tors. eta vs tors. theta energy: -72.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -874.232067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.232067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.232067 (E_RNA) where: Base-Base interactions energy: -582.557 where: short stacking energy: -245.439 Base-Backbone interact. energy: 0.556 local terms energy: -292.230981 where: bonds (distance) C4'-P energy: -53.076 bonds (distance) P-C4' energy: -62.189 flat angles C4'-P-C4' energy: -66.739 flat angles P-C4'-P energy: -44.926 tors. eta vs tors. theta energy: -65.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -853.775168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.775168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.775168 (E_RNA) where: Base-Base interactions energy: -584.215 where: short stacking energy: -260.370 Base-Backbone interact. energy: 0.911 local terms energy: -270.470330 where: bonds (distance) C4'-P energy: -57.435 bonds (distance) P-C4' energy: -48.938 flat angles C4'-P-C4' energy: -57.770 flat angles P-C4'-P energy: -42.615 tors. eta vs tors. theta energy: -63.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -604.350088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.350088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.350088 (E_RNA) where: Base-Base interactions energy: -377.269 where: short stacking energy: -174.741 Base-Backbone interact. energy: -1.522 local terms energy: -225.559186 where: bonds (distance) C4'-P energy: -53.474 bonds (distance) P-C4' energy: -63.103 flat angles C4'-P-C4' energy: -51.414 flat angles P-C4'-P energy: -32.728 tors. eta vs tors. theta energy: -24.840 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: 7 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -587.020887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.020887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.020887 (E_RNA) where: Base-Base interactions energy: -362.588 where: short stacking energy: -164.025 Base-Backbone interact. energy: 1.254 local terms energy: -225.686918 where: bonds (distance) C4'-P energy: -55.199 bonds (distance) P-C4' energy: -59.790 flat angles C4'-P-C4' energy: -52.330 flat angles P-C4'-P energy: -34.479 tors. eta vs tors. theta energy: -23.890 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: 10, replica: 2 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -428.169567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.169567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.169567 (E_RNA) where: Base-Base interactions energy: -210.277 where: short stacking energy: -125.730 Base-Backbone interact. energy: -1.620 local terms energy: -216.271901 where: bonds (distance) C4'-P energy: -55.566 bonds (distance) P-C4' energy: -57.153 flat angles C4'-P-C4' energy: -56.986 flat angles P-C4'-P energy: -37.198 tors. eta vs tors. theta energy: -9.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1175.200649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.200649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.200649 (E_RNA) where: Base-Base interactions energy: -815.755 where: short stacking energy: -345.865 Base-Backbone interact. energy: -2.106 local terms energy: -357.339569 where: bonds (distance) C4'-P energy: -65.348 bonds (distance) P-C4' energy: -66.900 flat angles C4'-P-C4' energy: -72.289 flat angles P-C4'-P energy: -51.008 tors. eta vs tors. theta energy: -101.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1134.563931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.563931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.563931 (E_RNA) where: Base-Base interactions energy: -793.914 where: short stacking energy: -326.076 Base-Backbone interact. energy: -0.998 local terms energy: -339.651607 where: bonds (distance) C4'-P energy: -65.493 bonds (distance) P-C4' energy: -69.078 flat angles C4'-P-C4' energy: -71.321 flat angles P-C4'-P energy: -41.821 tors. eta vs tors. theta energy: -91.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1092.985650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.985650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.985650 (E_RNA) where: Base-Base interactions energy: -739.941 where: short stacking energy: -338.545 Base-Backbone interact. energy: -1.304 local terms energy: -351.740417 where: bonds (distance) C4'-P energy: -71.623 bonds (distance) P-C4' energy: -65.198 flat angles C4'-P-C4' energy: -68.804 flat angles P-C4'-P energy: -37.396 tors. eta vs tors. theta energy: -108.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1015.156286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.156286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.156286 (E_RNA) where: Base-Base interactions energy: -691.415 where: short stacking energy: -305.982 Base-Backbone interact. energy: 0.918 local terms energy: -324.659385 where: bonds (distance) C4'-P energy: -60.433 bonds (distance) P-C4' energy: -55.960 flat angles C4'-P-C4' energy: -72.676 flat angles P-C4'-P energy: -42.141 tors. eta vs tors. theta energy: -93.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -882.849195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.849195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.849195 (E_RNA) where: Base-Base interactions energy: -589.023 where: short stacking energy: -266.947 Base-Backbone interact. energy: -1.241 local terms energy: -292.585437 where: bonds (distance) C4'-P energy: -55.753 bonds (distance) P-C4' energy: -63.662 flat angles C4'-P-C4' energy: -55.370 flat angles P-C4'-P energy: -38.782 tors. eta vs tors. theta energy: -79.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -888.819619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.819619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.819619 (E_RNA) where: Base-Base interactions energy: -594.581 where: short stacking energy: -244.927 Base-Backbone interact. energy: -0.966 local terms energy: -293.273313 where: bonds (distance) C4'-P energy: -46.953 bonds (distance) P-C4' energy: -64.469 flat angles C4'-P-C4' energy: -59.853 flat angles P-C4'-P energy: -46.212 tors. eta vs tors. theta energy: -75.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -841.053413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.053413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.053413 (E_RNA) where: Base-Base interactions energy: -547.716 where: short stacking energy: -240.408 Base-Backbone interact. energy: -0.404 local terms energy: -292.933373 where: bonds (distance) C4'-P energy: -57.648 bonds (distance) P-C4' energy: -69.969 flat angles C4'-P-C4' energy: -58.713 flat angles P-C4'-P energy: -43.019 tors. eta vs tors. theta energy: -63.584 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: 8, replica: 5 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -642.878166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.878166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.878166 (E_RNA) where: Base-Base interactions energy: -404.542 where: short stacking energy: -182.395 Base-Backbone interact. energy: 3.051 local terms energy: -241.387276 where: bonds (distance) C4'-P energy: -60.665 bonds (distance) P-C4' energy: -49.271 flat angles C4'-P-C4' energy: -56.536 flat angles P-C4'-P energy: -37.226 tors. eta vs tors. theta energy: -37.689 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: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -564.636923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.636923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.636923 (E_RNA) where: Base-Base interactions energy: -338.288 where: short stacking energy: -147.346 Base-Backbone interact. energy: -1.352 local terms energy: -224.996628 where: bonds (distance) C4'-P energy: -59.907 bonds (distance) P-C4' energy: -56.717 flat angles C4'-P-C4' energy: -54.699 flat angles P-C4'-P energy: -25.714 tors. eta vs tors. theta energy: -27.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -401.073898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.073898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.073898 (E_RNA) where: Base-Base interactions energy: -198.839 where: short stacking energy: -101.662 Base-Backbone interact. energy: 2.738 local terms energy: -204.973048 where: bonds (distance) C4'-P energy: -55.644 bonds (distance) P-C4' energy: -62.612 flat angles C4'-P-C4' energy: -49.287 flat angles P-C4'-P energy: -29.513 tors. eta vs tors. theta energy: -7.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1161.249491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.249491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.249491 (E_RNA) where: Base-Base interactions energy: -797.013 where: short stacking energy: -349.309 Base-Backbone interact. energy: -1.107 local terms energy: -363.129640 where: bonds (distance) C4'-P energy: -61.675 bonds (distance) P-C4' energy: -66.986 flat angles C4'-P-C4' energy: -81.620 flat angles P-C4'-P energy: -51.081 tors. eta vs tors. theta energy: -101.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1114.542673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.542673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.542673 (E_RNA) where: Base-Base interactions energy: -766.557 where: short stacking energy: -318.585 Base-Backbone interact. energy: -1.183 local terms energy: -346.801913 where: bonds (distance) C4'-P energy: -69.701 bonds (distance) P-C4' energy: -66.132 flat angles C4'-P-C4' energy: -68.643 flat angles P-C4'-P energy: -49.361 tors. eta vs tors. theta energy: -92.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1045.679860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.679860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.679860 (E_RNA) where: Base-Base interactions energy: -717.000 where: short stacking energy: -316.820 Base-Backbone interact. energy: 0.347 local terms energy: -329.026554 where: bonds (distance) C4'-P energy: -63.210 bonds (distance) P-C4' energy: -57.279 flat angles C4'-P-C4' energy: -60.710 flat angles P-C4'-P energy: -51.696 tors. eta vs tors. theta energy: -96.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1028.514624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.514624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.514624 (E_RNA) where: Base-Base interactions energy: -714.278 where: short stacking energy: -294.686 Base-Backbone interact. energy: 0.190 local terms energy: -314.426394 where: bonds (distance) C4'-P energy: -64.702 bonds (distance) P-C4' energy: -49.655 flat angles C4'-P-C4' energy: -76.531 flat angles P-C4'-P energy: -42.282 tors. eta vs tors. theta energy: -81.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -890.460037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.460037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.460037 (E_RNA) where: Base-Base interactions energy: -600.334 where: short stacking energy: -267.894 Base-Backbone interact. energy: 1.187 local terms energy: -291.313024 where: bonds (distance) C4'-P energy: -55.297 bonds (distance) P-C4' energy: -60.444 flat angles C4'-P-C4' energy: -72.554 flat angles P-C4'-P energy: -26.923 tors. eta vs tors. theta energy: -76.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -872.892130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.892130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.892130 (E_RNA) where: Base-Base interactions energy: -577.665 where: short stacking energy: -270.346 Base-Backbone interact. energy: -0.811 local terms energy: -294.416427 where: bonds (distance) C4'-P energy: -59.188 bonds (distance) P-C4' energy: -61.395 flat angles C4'-P-C4' energy: -62.391 flat angles P-C4'-P energy: -43.207 tors. eta vs tors. theta energy: -68.235 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: 1 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -864.672964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.672964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.672964 (E_RNA) where: Base-Base interactions energy: -599.666 where: short stacking energy: -250.293 Base-Backbone interact. energy: -0.983 local terms energy: -264.024234 where: bonds (distance) C4'-P energy: -44.049 bonds (distance) P-C4' energy: -56.575 flat angles C4'-P-C4' energy: -66.899 flat angles P-C4'-P energy: -30.618 tors. eta vs tors. theta energy: -65.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -700.788604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.788604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.788604 (E_RNA) where: Base-Base interactions energy: -444.856 where: short stacking energy: -201.010 Base-Backbone interact. energy: -1.654 local terms energy: -254.278731 where: bonds (distance) C4'-P energy: -53.898 bonds (distance) P-C4' energy: -56.909 flat angles C4'-P-C4' energy: -63.208 flat angles P-C4'-P energy: -36.938 tors. eta vs tors. theta energy: -43.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -577.638614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.638614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.638614 (E_RNA) where: Base-Base interactions energy: -353.613 where: short stacking energy: -173.603 Base-Backbone interact. energy: 1.311 local terms energy: -225.336925 where: bonds (distance) C4'-P energy: -53.844 bonds (distance) P-C4' energy: -58.784 flat angles C4'-P-C4' energy: -56.055 flat angles P-C4'-P energy: -25.302 tors. eta vs tors. theta energy: -31.353 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: 2 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -412.870878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.870878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.870878 (E_RNA) where: Base-Base interactions energy: -230.743 where: short stacking energy: -126.611 Base-Backbone interact. energy: -1.137 local terms energy: -180.990889 where: bonds (distance) C4'-P energy: -41.739 bonds (distance) P-C4' energy: -54.537 flat angles C4'-P-C4' energy: -48.689 flat angles P-C4'-P energy: -25.768 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: 8 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1162.709208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.709208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.709208 (E_RNA) where: Base-Base interactions energy: -816.046 where: short stacking energy: -337.981 Base-Backbone interact. energy: -1.576 local terms energy: -345.087415 where: bonds (distance) C4'-P energy: -61.313 bonds (distance) P-C4' energy: -61.566 flat angles C4'-P-C4' energy: -67.236 flat angles P-C4'-P energy: -55.311 tors. eta vs tors. theta energy: -99.662 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: 254 Temperature: 0.950000 Total energy: -1121.348763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.348763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.348763 (E_RNA) where: Base-Base interactions energy: -784.366 where: short stacking energy: -330.475 Base-Backbone interact. energy: -0.810 local terms energy: -336.172776 where: bonds (distance) C4'-P energy: -60.358 bonds (distance) P-C4' energy: -59.045 flat angles C4'-P-C4' energy: -74.941 flat angles P-C4'-P energy: -46.527 tors. eta vs tors. theta energy: -95.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1053.726780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.726780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.726780 (E_RNA) where: Base-Base interactions energy: -707.390 where: short stacking energy: -296.655 Base-Backbone interact. energy: -0.101 local terms energy: -346.235681 where: bonds (distance) C4'-P energy: -68.248 bonds (distance) P-C4' energy: -54.146 flat angles C4'-P-C4' energy: -71.634 flat angles P-C4'-P energy: -59.611 tors. eta vs tors. theta energy: -92.597 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: 3 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1033.799217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.799217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.799217 (E_RNA) where: Base-Base interactions energy: -713.311 where: short stacking energy: -311.525 Base-Backbone interact. energy: 4.959 local terms energy: -325.447151 where: bonds (distance) C4'-P energy: -59.082 bonds (distance) P-C4' energy: -62.582 flat angles C4'-P-C4' energy: -68.719 flat angles P-C4'-P energy: -47.806 tors. eta vs tors. theta energy: -87.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -905.998389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.998389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.998389 (E_RNA) where: Base-Base interactions energy: -596.712 where: short stacking energy: -260.349 Base-Backbone interact. energy: -2.191 local terms energy: -307.095058 where: bonds (distance) C4'-P energy: -62.325 bonds (distance) P-C4' energy: -68.546 flat angles C4'-P-C4' energy: -60.165 flat angles P-C4'-P energy: -39.987 tors. eta vs tors. theta energy: -76.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -876.572269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.572269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.572269 (E_RNA) where: Base-Base interactions energy: -575.708 where: short stacking energy: -254.177 Base-Backbone interact. energy: -0.307 local terms energy: -300.557765 where: bonds (distance) C4'-P energy: -55.663 bonds (distance) P-C4' energy: -64.727 flat angles C4'-P-C4' energy: -70.773 flat angles P-C4'-P energy: -36.934 tors. eta vs tors. theta energy: -72.461 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: 1 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -840.648611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.648611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.648611 (E_RNA) where: Base-Base interactions energy: -574.001 where: short stacking energy: -233.115 Base-Backbone interact. energy: -2.523 local terms energy: -264.124708 where: bonds (distance) C4'-P energy: -47.527 bonds (distance) P-C4' energy: -51.828 flat angles C4'-P-C4' energy: -62.876 flat angles P-C4'-P energy: -43.581 tors. eta vs tors. theta energy: -58.312 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: 8, replica: 5 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -676.769899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.769899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.769899 (E_RNA) where: Base-Base interactions energy: -446.759 where: short stacking energy: -211.449 Base-Backbone interact. energy: 0.192 local terms energy: -230.202047 where: bonds (distance) C4'-P energy: -53.949 bonds (distance) P-C4' energy: -49.212 flat angles C4'-P-C4' energy: -40.755 flat angles P-C4'-P energy: -39.914 tors. eta vs tors. theta energy: -46.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -599.978524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.978524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.978524 (E_RNA) where: Base-Base interactions energy: -376.257 where: short stacking energy: -166.580 Base-Backbone interact. energy: -0.456 local terms energy: -223.265295 where: bonds (distance) C4'-P energy: -52.737 bonds (distance) P-C4' energy: -59.330 flat angles C4'-P-C4' energy: -56.811 flat angles P-C4'-P energy: -23.880 tors. eta vs tors. theta energy: -30.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -450.572972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.572972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.572972 (E_RNA) where: Base-Base interactions energy: -245.793 where: short stacking energy: -136.334 Base-Backbone interact. energy: 1.152 local terms energy: -205.931514 where: bonds (distance) C4'-P energy: -62.934 bonds (distance) P-C4' energy: -52.987 flat angles C4'-P-C4' energy: -44.561 flat angles P-C4'-P energy: -33.731 tors. eta vs tors. theta energy: -11.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1162.357310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.357310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.357310 (E_RNA) where: Base-Base interactions energy: -814.248 where: short stacking energy: -337.116 Base-Backbone interact. energy: -1.966 local terms energy: -346.143139 where: bonds (distance) C4'-P energy: -60.265 bonds (distance) P-C4' energy: -64.542 flat angles C4'-P-C4' energy: -70.809 flat angles P-C4'-P energy: -53.834 tors. eta vs tors. theta energy: -96.693 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: 10 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1116.883830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.883830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.883830 (E_RNA) where: Base-Base interactions energy: -777.780 where: short stacking energy: -325.374 Base-Backbone interact. energy: -1.457 local terms energy: -337.646807 where: bonds (distance) C4'-P energy: -58.017 bonds (distance) P-C4' energy: -66.654 flat angles C4'-P-C4' energy: -67.387 flat angles P-C4'-P energy: -49.658 tors. eta vs tors. theta energy: -95.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1069.911923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.911923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.911923 (E_RNA) where: Base-Base interactions energy: -740.487 where: short stacking energy: -314.393 Base-Backbone interact. energy: 0.035 local terms energy: -329.459997 where: bonds (distance) C4'-P energy: -62.594 bonds (distance) P-C4' energy: -60.215 flat angles C4'-P-C4' energy: -71.919 flat angles P-C4'-P energy: -42.843 tors. eta vs tors. theta energy: -91.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1017.309080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.309080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.309080 (E_RNA) where: Base-Base interactions energy: -683.579 where: short stacking energy: -310.750 Base-Backbone interact. energy: 1.167 local terms energy: -334.897109 where: bonds (distance) C4'-P energy: -56.854 bonds (distance) P-C4' energy: -68.102 flat angles C4'-P-C4' energy: -69.480 flat angles P-C4'-P energy: -52.150 tors. eta vs tors. theta energy: -88.312 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: 5, replica: 9 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -904.857352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.857352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.857352 (E_RNA) where: Base-Base interactions energy: -614.824 where: short stacking energy: -259.984 Base-Backbone interact. energy: 0.509 local terms energy: -290.541695 where: bonds (distance) C4'-P energy: -46.548 bonds (distance) P-C4' energy: -64.315 flat angles C4'-P-C4' energy: -66.200 flat angles P-C4'-P energy: -46.707 tors. eta vs tors. theta energy: -66.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -851.303325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.303325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.303325 (E_RNA) where: Base-Base interactions energy: -578.854 where: short stacking energy: -247.554 Base-Backbone interact. energy: -2.461 local terms energy: -269.988362 where: bonds (distance) C4'-P energy: -58.030 bonds (distance) P-C4' energy: -50.194 flat angles C4'-P-C4' energy: -59.543 flat angles P-C4'-P energy: -37.206 tors. eta vs tors. theta energy: -65.016 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: 4 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -863.340077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.340077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.340077 (E_RNA) where: Base-Base interactions energy: -599.815 where: short stacking energy: -253.858 Base-Backbone interact. energy: -0.702 local terms energy: -262.822633 where: bonds (distance) C4'-P energy: -52.904 bonds (distance) P-C4' energy: -57.298 flat angles C4'-P-C4' energy: -58.555 flat angles P-C4'-P energy: -20.869 tors. eta vs tors. theta energy: -73.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -687.998256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.998256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.998256 (E_RNA) where: Base-Base interactions energy: -432.368 where: short stacking energy: -204.505 Base-Backbone interact. energy: -0.852 local terms energy: -254.778025 where: bonds (distance) C4'-P energy: -55.308 bonds (distance) P-C4' energy: -64.621 flat angles C4'-P-C4' energy: -57.982 flat angles P-C4'-P energy: -40.550 tors. eta vs tors. theta energy: -36.318 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: 7 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -580.813883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.813883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.813883 (E_RNA) where: Base-Base interactions energy: -361.398 where: short stacking energy: -178.207 Base-Backbone interact. energy: 1.437 local terms energy: -220.852809 where: bonds (distance) C4'-P energy: -53.556 bonds (distance) P-C4' energy: -56.392 flat angles C4'-P-C4' energy: -57.186 flat angles P-C4'-P energy: -28.282 tors. eta vs tors. theta energy: -25.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -445.832338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.832338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.832338 (E_RNA) where: Base-Base interactions energy: -231.693 where: short stacking energy: -121.050 Base-Backbone interact. energy: 0.739 local terms energy: -214.877802 where: bonds (distance) C4'-P energy: -61.252 bonds (distance) P-C4' energy: -51.779 flat angles C4'-P-C4' energy: -51.713 flat angles P-C4'-P energy: -34.883 tors. eta vs tors. theta energy: -15.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1141.239365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.239365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.239365 (E_RNA) where: Base-Base interactions energy: -785.684 where: short stacking energy: -320.461 Base-Backbone interact. energy: -0.138 local terms energy: -355.417867 where: bonds (distance) C4'-P energy: -64.861 bonds (distance) P-C4' energy: -62.708 flat angles C4'-P-C4' energy: -75.647 flat angles P-C4'-P energy: -55.948 tors. eta vs tors. theta energy: -96.253 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: 8 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1136.340708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.340708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.340708 (E_RNA) where: Base-Base interactions energy: -796.015 where: short stacking energy: -345.125 Base-Backbone interact. energy: -1.735 local terms energy: -338.590833 where: bonds (distance) C4'-P energy: -57.743 bonds (distance) P-C4' energy: -65.948 flat angles C4'-P-C4' energy: -72.397 flat angles P-C4'-P energy: -43.053 tors. eta vs tors. theta energy: -99.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1057.449580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.449580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.449580 (E_RNA) where: Base-Base interactions energy: -753.599 where: short stacking energy: -316.526 Base-Backbone interact. energy: 0.628 local terms energy: -304.478410 where: bonds (distance) C4'-P energy: -63.062 bonds (distance) P-C4' energy: -51.153 flat angles C4'-P-C4' energy: -67.445 flat angles P-C4'-P energy: -40.721 tors. eta vs tors. theta energy: -82.098 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: 3 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1032.857432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.857432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.857432 (E_RNA) where: Base-Base interactions energy: -718.389 where: short stacking energy: -334.616 Base-Backbone interact. energy: -1.886 local terms energy: -312.582484 where: bonds (distance) C4'-P energy: -55.732 bonds (distance) P-C4' energy: -49.881 flat angles C4'-P-C4' energy: -61.818 flat angles P-C4'-P energy: -44.964 tors. eta vs tors. theta energy: -100.188 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: 9 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -926.952339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.952339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.952339 (E_RNA) where: Base-Base interactions energy: -631.196 where: short stacking energy: -267.424 Base-Backbone interact. energy: -1.059 local terms energy: -294.697691 where: bonds (distance) C4'-P energy: -61.256 bonds (distance) P-C4' energy: -61.833 flat angles C4'-P-C4' energy: -67.274 flat angles P-C4'-P energy: -40.813 tors. eta vs tors. theta energy: -63.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -864.073031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.073031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.073031 (E_RNA) where: Base-Base interactions energy: -574.293 where: short stacking energy: -249.407 Base-Backbone interact. energy: -1.441 local terms energy: -288.338209 where: bonds (distance) C4'-P energy: -57.050 bonds (distance) P-C4' energy: -58.202 flat angles C4'-P-C4' energy: -63.340 flat angles P-C4'-P energy: -41.839 tors. eta vs tors. theta energy: -67.906 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: 4 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -837.533772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.533772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.533772 (E_RNA) where: Base-Base interactions energy: -561.707 where: short stacking energy: -245.619 Base-Backbone interact. energy: -0.678 local terms energy: -275.148790 where: bonds (distance) C4'-P energy: -55.209 bonds (distance) P-C4' energy: -56.671 flat angles C4'-P-C4' energy: -59.947 flat angles P-C4'-P energy: -38.559 tors. eta vs tors. theta energy: -64.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -670.407614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.407614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.407614 (E_RNA) where: Base-Base interactions energy: -427.707 where: short stacking energy: -195.154 Base-Backbone interact. energy: 0.550 local terms energy: -243.251361 where: bonds (distance) C4'-P energy: -47.561 bonds (distance) P-C4' energy: -60.912 flat angles C4'-P-C4' energy: -61.054 flat angles P-C4'-P energy: -29.500 tors. eta vs tors. theta energy: -44.224 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: 7 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -594.249798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.249798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.249798 (E_RNA) where: Base-Base interactions energy: -372.892 where: short stacking energy: -177.836 Base-Backbone interact. energy: -0.882 local terms energy: -220.475911 where: bonds (distance) C4'-P energy: -56.433 bonds (distance) P-C4' energy: -55.680 flat angles C4'-P-C4' energy: -48.783 flat angles P-C4'-P energy: -29.702 tors. eta vs tors. theta energy: -29.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -381.484618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.484618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.484618 (E_RNA) where: Base-Base interactions energy: -189.049 where: short stacking energy: -100.995 Base-Backbone interact. energy: -0.296 local terms energy: -192.139191 where: bonds (distance) C4'-P energy: -58.480 bonds (distance) P-C4' energy: -52.903 flat angles C4'-P-C4' energy: -54.331 flat angles P-C4'-P energy: -31.969 tors. eta vs tors. theta energy: 5.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1178.434563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.434563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.434563 (E_RNA) where: Base-Base interactions energy: -818.774 where: short stacking energy: -352.176 Base-Backbone interact. energy: -0.564 local terms energy: -359.096723 where: bonds (distance) C4'-P energy: -72.438 bonds (distance) P-C4' energy: -60.944 flat angles C4'-P-C4' energy: -78.621 flat angles P-C4'-P energy: -49.486 tors. eta vs tors. theta energy: -97.608 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: 2, replica: 8 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1175.143643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.143643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.143643 (E_RNA) where: Base-Base interactions energy: -813.062 where: short stacking energy: -351.819 Base-Backbone interact. energy: -1.750 local terms energy: -360.331387 where: bonds (distance) C4'-P energy: -56.950 bonds (distance) P-C4' energy: -70.927 flat angles C4'-P-C4' energy: -70.314 flat angles P-C4'-P energy: -51.806 tors. eta vs tors. theta energy: -110.335 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: 6 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1069.559307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.559307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.559307 (E_RNA) where: Base-Base interactions energy: -732.244 where: short stacking energy: -294.525 Base-Backbone interact. energy: -0.690 local terms energy: -336.625774 where: bonds (distance) C4'-P energy: -65.982 bonds (distance) P-C4' energy: -58.680 flat angles C4'-P-C4' energy: -64.151 flat angles P-C4'-P energy: -51.251 tors. eta vs tors. theta energy: -96.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1047.283085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.283085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.283085 (E_RNA) where: Base-Base interactions energy: -711.293 where: short stacking energy: -312.021 Base-Backbone interact. energy: -2.496 local terms energy: -333.494824 where: bonds (distance) C4'-P energy: -52.414 bonds (distance) P-C4' energy: -61.563 flat angles C4'-P-C4' energy: -73.606 flat angles P-C4'-P energy: -44.218 tors. eta vs tors. theta energy: -101.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -930.549058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.549058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.549058 (E_RNA) where: Base-Base interactions energy: -628.042 where: short stacking energy: -270.381 Base-Backbone interact. energy: -0.753 local terms energy: -301.753456 where: bonds (distance) C4'-P energy: -58.376 bonds (distance) P-C4' energy: -55.016 flat angles C4'-P-C4' energy: -70.414 flat angles P-C4'-P energy: -47.605 tors. eta vs tors. theta energy: -70.341 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: 4 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -862.381888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.381888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.381888 (E_RNA) where: Base-Base interactions energy: -569.256 where: short stacking energy: -254.549 Base-Backbone interact. energy: -0.986 local terms energy: -292.139859 where: bonds (distance) C4'-P energy: -64.264 bonds (distance) P-C4' energy: -58.912 flat angles C4'-P-C4' energy: -68.674 flat angles P-C4'-P energy: -38.785 tors. eta vs tors. theta energy: -61.505 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: 7, replica: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -814.774311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.774311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.774311 (E_RNA) where: Base-Base interactions energy: -554.604 where: short stacking energy: -239.345 Base-Backbone interact. energy: -2.387 local terms energy: -257.783025 where: bonds (distance) C4'-P energy: -54.579 bonds (distance) P-C4' energy: -51.274 flat angles C4'-P-C4' energy: -62.730 flat angles P-C4'-P energy: -27.892 tors. eta vs tors. theta energy: -61.308 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: 5 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -669.366124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.366124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.366124 (E_RNA) where: Base-Base interactions energy: -439.280 where: short stacking energy: -194.572 Base-Backbone interact. energy: -1.317 local terms energy: -228.768657 where: bonds (distance) C4'-P energy: -41.971 bonds (distance) P-C4' energy: -48.386 flat angles C4'-P-C4' energy: -61.834 flat angles P-C4'-P energy: -37.224 tors. eta vs tors. theta energy: -39.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -586.726591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.726591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.726591 (E_RNA) where: Base-Base interactions energy: -374.741 where: short stacking energy: -180.218 Base-Backbone interact. energy: -0.685 local terms energy: -211.300283 where: bonds (distance) C4'-P energy: -53.147 bonds (distance) P-C4' energy: -47.129 flat angles C4'-P-C4' energy: -51.764 flat angles P-C4'-P energy: -31.702 tors. eta vs tors. theta energy: -27.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -393.752913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.752913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.752913 (E_RNA) where: Base-Base interactions energy: -202.820 where: short stacking energy: -115.632 Base-Backbone interact. energy: -3.065 local terms energy: -187.867908 where: bonds (distance) C4'-P energy: -48.225 bonds (distance) P-C4' energy: -48.694 flat angles C4'-P-C4' energy: -46.300 flat angles P-C4'-P energy: -36.383 tors. eta vs tors. theta energy: -8.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1169.888363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.888363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.888363 (E_RNA) where: Base-Base interactions energy: -812.567 where: short stacking energy: -343.601 Base-Backbone interact. energy: -1.903 local terms energy: -355.418128 where: bonds (distance) C4'-P energy: -60.234 bonds (distance) P-C4' energy: -66.109 flat angles C4'-P-C4' energy: -76.752 flat angles P-C4'-P energy: -55.206 tors. eta vs tors. theta energy: -97.117 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: 8 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1149.689700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.689700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.689700 (E_RNA) where: Base-Base interactions energy: -810.543 where: short stacking energy: -343.267 Base-Backbone interact. energy: -1.517 local terms energy: -337.629816 where: bonds (distance) C4'-P energy: -47.965 bonds (distance) P-C4' energy: -63.840 flat angles C4'-P-C4' energy: -73.592 flat angles P-C4'-P energy: -50.894 tors. eta vs tors. theta energy: -101.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1065.608363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.608363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.608363 (E_RNA) where: Base-Base interactions energy: -734.375 where: short stacking energy: -303.474 Base-Backbone interact. energy: -1.020 local terms energy: -330.213338 where: bonds (distance) C4'-P energy: -53.489 bonds (distance) P-C4' energy: -73.147 flat angles C4'-P-C4' energy: -65.974 flat angles P-C4'-P energy: -45.128 tors. eta vs tors. theta energy: -92.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1008.529034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.529034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.529034 (E_RNA) where: Base-Base interactions energy: -670.113 where: short stacking energy: -316.102 Base-Backbone interact. energy: -0.423 local terms energy: -337.993564 where: bonds (distance) C4'-P energy: -59.333 bonds (distance) P-C4' energy: -66.658 flat angles C4'-P-C4' energy: -70.117 flat angles P-C4'-P energy: -48.462 tors. eta vs tors. theta energy: -93.423 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: 9 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -937.864359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.864359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.864359 (E_RNA) where: Base-Base interactions energy: -649.793 where: short stacking energy: -277.434 Base-Backbone interact. energy: -0.624 local terms energy: -287.446800 where: bonds (distance) C4'-P energy: -53.017 bonds (distance) P-C4' energy: -56.867 flat angles C4'-P-C4' energy: -65.199 flat angles P-C4'-P energy: -40.309 tors. eta vs tors. theta energy: -72.055 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: 4 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -861.434471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.434471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.434471 (E_RNA) where: Base-Base interactions energy: -589.095 where: short stacking energy: -271.315 Base-Backbone interact. energy: -0.885 local terms energy: -271.454085 where: bonds (distance) C4'-P energy: -55.719 bonds (distance) P-C4' energy: -53.856 flat angles C4'-P-C4' energy: -57.792 flat angles P-C4'-P energy: -39.546 tors. eta vs tors. theta energy: -64.540 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: 1 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -841.551220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.551220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.551220 (E_RNA) where: Base-Base interactions energy: -562.317 where: short stacking energy: -227.329 Base-Backbone interact. energy: -1.008 local terms energy: -278.225550 where: bonds (distance) C4'-P energy: -52.878 bonds (distance) P-C4' energy: -52.927 flat angles C4'-P-C4' energy: -61.036 flat angles P-C4'-P energy: -48.756 tors. eta vs tors. theta energy: -62.628 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: 5 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -686.769520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.769520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.769520 (E_RNA) where: Base-Base interactions energy: -442.659 where: short stacking energy: -192.570 Base-Backbone interact. energy: 1.501 local terms energy: -245.610896 where: bonds (distance) C4'-P energy: -59.908 bonds (distance) P-C4' energy: -55.724 flat angles C4'-P-C4' energy: -55.590 flat angles P-C4'-P energy: -37.191 tors. eta vs tors. theta energy: -37.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -566.503645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.503645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.503645 (E_RNA) where: Base-Base interactions energy: -352.317 where: short stacking energy: -157.762 Base-Backbone interact. energy: -0.814 local terms energy: -213.372181 where: bonds (distance) C4'-P energy: -45.647 bonds (distance) P-C4' energy: -48.065 flat angles C4'-P-C4' energy: -44.108 flat angles P-C4'-P energy: -37.657 tors. eta vs tors. theta energy: -37.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -350.356895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.356895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.356895 (E_RNA) where: Base-Base interactions energy: -155.654 where: short stacking energy: -83.853 Base-Backbone interact. energy: 1.720 local terms energy: -196.422808 where: bonds (distance) C4'-P energy: -46.847 bonds (distance) P-C4' energy: -72.097 flat angles C4'-P-C4' energy: -55.695 flat angles P-C4'-P energy: -24.807 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: 1, replica: 10 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1149.976304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.976304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.976304 (E_RNA) where: Base-Base interactions energy: -790.331 where: short stacking energy: -337.675 Base-Backbone interact. energy: -0.631 local terms energy: -359.014628 where: bonds (distance) C4'-P energy: -64.835 bonds (distance) P-C4' energy: -66.800 flat angles C4'-P-C4' energy: -80.017 flat angles P-C4'-P energy: -47.351 tors. eta vs tors. theta energy: -100.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1168.607437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.607437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.607437 (E_RNA) where: Base-Base interactions energy: -832.809 where: short stacking energy: -351.541 Base-Backbone interact. energy: 0.023 local terms energy: -335.821060 where: bonds (distance) C4'-P energy: -48.875 bonds (distance) P-C4' energy: -68.251 flat angles C4'-P-C4' energy: -74.278 flat angles P-C4'-P energy: -37.682 tors. eta vs tors. theta energy: -106.735 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: 6 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1089.204960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.204960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.204960 (E_RNA) where: Base-Base interactions energy: -757.813 where: short stacking energy: -342.084 Base-Backbone interact. energy: -0.687 local terms energy: -330.705385 where: bonds (distance) C4'-P energy: -62.019 bonds (distance) P-C4' energy: -52.988 flat angles C4'-P-C4' energy: -70.519 flat angles P-C4'-P energy: -53.470 tors. eta vs tors. theta energy: -91.709 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: 3 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1021.431105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.431105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.431105 (E_RNA) where: Base-Base interactions energy: -692.751 where: short stacking energy: -297.404 Base-Backbone interact. energy: -0.870 local terms energy: -327.810254 where: bonds (distance) C4'-P energy: -68.337 bonds (distance) P-C4' energy: -57.351 flat angles C4'-P-C4' energy: -73.895 flat angles P-C4'-P energy: -43.835 tors. eta vs tors. theta energy: -84.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -890.465855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.465855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.465855 (E_RNA) where: Base-Base interactions energy: -609.757 where: short stacking energy: -266.103 Base-Backbone interact. energy: -0.934 local terms energy: -279.775206 where: bonds (distance) C4'-P energy: -55.141 bonds (distance) P-C4' energy: -62.133 flat angles C4'-P-C4' energy: -63.115 flat angles P-C4'-P energy: -33.111 tors. eta vs tors. theta energy: -66.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -849.357800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.357800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.357800 (E_RNA) where: Base-Base interactions energy: -568.702 where: short stacking energy: -256.252 Base-Backbone interact. energy: 1.684 local terms energy: -282.340522 where: bonds (distance) C4'-P energy: -54.168 bonds (distance) P-C4' energy: -49.800 flat angles C4'-P-C4' energy: -67.559 flat angles P-C4'-P energy: -42.645 tors. eta vs tors. theta energy: -68.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -850.114027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.114027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.114027 (E_RNA) where: Base-Base interactions energy: -570.495 where: short stacking energy: -261.597 Base-Backbone interact. energy: 2.340 local terms energy: -281.958125 where: bonds (distance) C4'-P energy: -55.931 bonds (distance) P-C4' energy: -52.076 flat angles C4'-P-C4' energy: -60.642 flat angles P-C4'-P energy: -45.288 tors. eta vs tors. theta energy: -68.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -635.622323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.622323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.622323 (E_RNA) where: Base-Base interactions energy: -412.602 where: short stacking energy: -179.566 Base-Backbone interact. energy: -1.934 local terms energy: -221.086523 where: bonds (distance) C4'-P energy: -48.028 bonds (distance) P-C4' energy: -60.642 flat angles C4'-P-C4' energy: -55.544 flat angles P-C4'-P energy: -25.873 tors. eta vs tors. theta energy: -30.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -597.743849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.743849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.743849 (E_RNA) where: Base-Base interactions energy: -362.003 where: short stacking energy: -189.443 Base-Backbone interact. energy: -1.280 local terms energy: -234.460712 where: bonds (distance) C4'-P energy: -50.264 bonds (distance) P-C4' energy: -49.634 flat angles C4'-P-C4' energy: -61.540 flat angles P-C4'-P energy: -35.445 tors. eta vs tors. theta energy: -37.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -379.028477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.028477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.028477 (E_RNA) where: Base-Base interactions energy: -199.529 where: short stacking energy: -108.255 Base-Backbone interact. energy: -0.172 local terms energy: -179.326982 where: bonds (distance) C4'-P energy: -41.359 bonds (distance) P-C4' energy: -65.831 flat angles C4'-P-C4' energy: -52.742 flat angles P-C4'-P energy: -21.006 tors. eta vs tors. theta energy: 1.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1193.434334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.434334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.434334 (E_RNA) where: Base-Base interactions energy: -825.679 where: short stacking energy: -356.775 Base-Backbone interact. energy: -2.257 local terms energy: -365.497611 where: bonds (distance) C4'-P energy: -67.096 bonds (distance) P-C4' energy: -69.753 flat angles C4'-P-C4' energy: -68.987 flat angles P-C4'-P energy: -57.223 tors. eta vs tors. theta energy: -102.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1131.751443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.751443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.751443 (E_RNA) where: Base-Base interactions energy: -785.617 where: short stacking energy: -330.933 Base-Backbone interact. energy: -0.522 local terms energy: -345.612374 where: bonds (distance) C4'-P energy: -69.528 bonds (distance) P-C4' energy: -57.831 flat angles C4'-P-C4' energy: -76.862 flat angles P-C4'-P energy: -39.218 tors. eta vs tors. theta energy: -102.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1092.041243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.041243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.041243 (E_RNA) where: Base-Base interactions energy: -760.082 where: short stacking energy: -310.634 Base-Backbone interact. energy: 1.000 local terms energy: -332.958946 where: bonds (distance) C4'-P energy: -62.990 bonds (distance) P-C4' energy: -66.724 flat angles C4'-P-C4' energy: -62.481 flat angles P-C4'-P energy: -43.211 tors. eta vs tors. theta energy: -97.552 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: 4, replica: 3 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1030.789332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.789332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.789332 (E_RNA) where: Base-Base interactions energy: -712.032 where: short stacking energy: -308.537 Base-Backbone interact. energy: 0.919 local terms energy: -319.676698 where: bonds (distance) C4'-P energy: -58.215 bonds (distance) P-C4' energy: -62.483 flat angles C4'-P-C4' energy: -65.307 flat angles P-C4'-P energy: -38.385 tors. eta vs tors. theta energy: -95.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -884.531433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.531433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.531433 (E_RNA) where: Base-Base interactions energy: -594.725 where: short stacking energy: -266.020 Base-Backbone interact. energy: -0.930 local terms energy: -288.876742 where: bonds (distance) C4'-P energy: -58.636 bonds (distance) P-C4' energy: -58.648 flat angles C4'-P-C4' energy: -65.875 flat angles P-C4'-P energy: -35.061 tors. eta vs tors. theta energy: -70.656 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: 1 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -847.755289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.755289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.755289 (E_RNA) where: Base-Base interactions energy: -592.585 where: short stacking energy: -259.241 Base-Backbone interact. energy: 3.131 local terms energy: -258.300640 where: bonds (distance) C4'-P energy: -44.459 bonds (distance) P-C4' energy: -53.194 flat angles C4'-P-C4' energy: -66.297 flat angles P-C4'-P energy: -34.490 tors. eta vs tors. theta energy: -59.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -838.870547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.870547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.870547 (E_RNA) where: Base-Base interactions energy: -560.845 where: short stacking energy: -244.685 Base-Backbone interact. energy: 1.665 local terms energy: -279.690811 where: bonds (distance) C4'-P energy: -53.908 bonds (distance) P-C4' energy: -56.430 flat angles C4'-P-C4' energy: -62.210 flat angles P-C4'-P energy: -42.865 tors. eta vs tors. theta energy: -64.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -667.681827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.681827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.681827 (E_RNA) where: Base-Base interactions energy: -435.640 where: short stacking energy: -187.302 Base-Backbone interact. energy: -1.472 local terms energy: -230.569528 where: bonds (distance) C4'-P energy: -56.607 bonds (distance) P-C4' energy: -54.439 flat angles C4'-P-C4' energy: -47.273 flat angles P-C4'-P energy: -33.550 tors. eta vs tors. theta energy: -38.700 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: 7 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -567.922024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.922024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.922024 (E_RNA) where: Base-Base interactions energy: -341.769 where: short stacking energy: -153.155 Base-Backbone interact. energy: 0.907 local terms energy: -227.060115 where: bonds (distance) C4'-P energy: -54.572 bonds (distance) P-C4' energy: -45.930 flat angles C4'-P-C4' energy: -58.986 flat angles P-C4'-P energy: -37.711 tors. eta vs tors. theta energy: -29.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -349.197809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.197809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.197809 (E_RNA) where: Base-Base interactions energy: -181.733 where: short stacking energy: -104.750 Base-Backbone interact. energy: 0.210 local terms energy: -167.674451 where: bonds (distance) C4'-P energy: -42.598 bonds (distance) P-C4' energy: -57.094 flat angles C4'-P-C4' energy: -37.757 flat angles P-C4'-P energy: -33.081 tors. eta vs tors. theta energy: 2.855 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: 8 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1190.907471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.907471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.907471 (E_RNA) where: Base-Base interactions energy: -843.225 where: short stacking energy: -351.161 Base-Backbone interact. energy: -0.319 local terms energy: -347.363211 where: bonds (distance) C4'-P energy: -58.621 bonds (distance) P-C4' energy: -60.102 flat angles C4'-P-C4' energy: -76.244 flat angles P-C4'-P energy: -56.355 tors. eta vs tors. theta energy: -96.042 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: 2, replica: 10 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1157.258722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.258722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.258722 (E_RNA) where: Base-Base interactions energy: -803.497 where: short stacking energy: -335.198 Base-Backbone interact. energy: -0.439 local terms energy: -353.322910 where: bonds (distance) C4'-P energy: -61.393 bonds (distance) P-C4' energy: -64.285 flat angles C4'-P-C4' energy: -72.649 flat angles P-C4'-P energy: -54.427 tors. eta vs tors. theta energy: -100.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1082.992401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.992401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.992401 (E_RNA) where: Base-Base interactions energy: -762.299 where: short stacking energy: -325.959 Base-Backbone interact. energy: -2.321 local terms energy: -318.372161 where: bonds (distance) C4'-P energy: -48.026 bonds (distance) P-C4' energy: -58.894 flat angles C4'-P-C4' energy: -67.821 flat angles P-C4'-P energy: -42.181 tors. eta vs tors. theta energy: -101.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1062.606142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.606142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.606142 (E_RNA) where: Base-Base interactions energy: -710.765 where: short stacking energy: -324.955 Base-Backbone interact. energy: -1.132 local terms energy: -350.709045 where: bonds (distance) C4'-P energy: -69.712 bonds (distance) P-C4' energy: -66.780 flat angles C4'-P-C4' energy: -69.974 flat angles P-C4'-P energy: -40.579 tors. eta vs tors. theta energy: -103.663 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: 9 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -884.535839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.535839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.535839 (E_RNA) where: Base-Base interactions energy: -582.666 where: short stacking energy: -258.267 Base-Backbone interact. energy: -0.924 local terms energy: -300.945666 where: bonds (distance) C4'-P energy: -62.259 bonds (distance) P-C4' energy: -50.321 flat angles C4'-P-C4' energy: -68.456 flat angles P-C4'-P energy: -47.468 tors. eta vs tors. theta energy: -72.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -808.454446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.454446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.454446 (E_RNA) where: Base-Base interactions energy: -534.943 where: short stacking energy: -211.260 Base-Backbone interact. energy: -1.521 local terms energy: -271.990494 where: bonds (distance) C4'-P energy: -54.272 bonds (distance) P-C4' energy: -57.665 flat angles C4'-P-C4' energy: -75.236 flat angles P-C4'-P energy: -33.506 tors. eta vs tors. theta energy: -51.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -815.730870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.730870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.730870 (E_RNA) where: Base-Base interactions energy: -557.607 where: short stacking energy: -235.866 Base-Backbone interact. energy: -0.276 local terms energy: -257.848094 where: bonds (distance) C4'-P energy: -51.558 bonds (distance) P-C4' energy: -48.812 flat angles C4'-P-C4' energy: -47.537 flat angles P-C4'-P energy: -46.100 tors. eta vs tors. theta energy: -63.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -661.298175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.298175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.298175 (E_RNA) where: Base-Base interactions energy: -398.488 where: short stacking energy: -189.521 Base-Backbone interact. energy: 4.531 local terms energy: -267.341478 where: bonds (distance) C4'-P energy: -64.507 bonds (distance) P-C4' energy: -71.389 flat angles C4'-P-C4' energy: -59.803 flat angles P-C4'-P energy: -32.112 tors. eta vs tors. theta energy: -39.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -584.525225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.525225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.525225 (E_RNA) where: Base-Base interactions energy: -362.522 where: short stacking energy: -160.566 Base-Backbone interact. energy: -2.010 local terms energy: -219.993500 where: bonds (distance) C4'-P energy: -56.654 bonds (distance) P-C4' energy: -55.952 flat angles C4'-P-C4' energy: -45.031 flat angles P-C4'-P energy: -28.852 tors. eta vs tors. theta energy: -33.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -393.035355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.035355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.035355 (E_RNA) where: Base-Base interactions energy: -218.592 where: short stacking energy: -112.987 Base-Backbone interact. energy: -0.037 local terms energy: -174.406006 where: bonds (distance) C4'-P energy: -62.199 bonds (distance) P-C4' energy: -58.758 flat angles C4'-P-C4' energy: -27.730 flat angles P-C4'-P energy: -37.309 tors. eta vs tors. theta energy: 11.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1207.632348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.632348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.632348 (E_RNA) where: Base-Base interactions energy: -849.549 where: short stacking energy: -367.295 Base-Backbone interact. energy: -3.393 local terms energy: -354.689761 where: bonds (distance) C4'-P energy: -57.166 bonds (distance) P-C4' energy: -68.122 flat angles C4'-P-C4' energy: -77.010 flat angles P-C4'-P energy: -47.985 tors. eta vs tors. theta energy: -104.407 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: 10 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1142.251619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.251619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.251619 (E_RNA) where: Base-Base interactions energy: -786.585 where: short stacking energy: -310.688 Base-Backbone interact. energy: 0.131 local terms energy: -355.797447 where: bonds (distance) C4'-P energy: -59.820 bonds (distance) P-C4' energy: -66.394 flat angles C4'-P-C4' energy: -76.783 flat angles P-C4'-P energy: -52.229 tors. eta vs tors. theta energy: -100.571 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: 3 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1084.584049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.584049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.584049 (E_RNA) where: Base-Base interactions energy: -740.103 where: short stacking energy: -332.991 Base-Backbone interact. energy: -1.177 local terms energy: -343.303470 where: bonds (distance) C4'-P energy: -58.603 bonds (distance) P-C4' energy: -67.046 flat angles C4'-P-C4' energy: -75.402 flat angles P-C4'-P energy: -47.259 tors. eta vs tors. theta energy: -94.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1010.232802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.232802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.232802 (E_RNA) where: Base-Base interactions energy: -693.029 where: short stacking energy: -299.177 Base-Backbone interact. energy: -0.989 local terms energy: -316.214700 where: bonds (distance) C4'-P energy: -58.417 bonds (distance) P-C4' energy: -53.090 flat angles C4'-P-C4' energy: -66.057 flat angles P-C4'-P energy: -41.036 tors. eta vs tors. theta energy: -97.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -911.200427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.200427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.200427 (E_RNA) where: Base-Base interactions energy: -624.184 where: short stacking energy: -271.282 Base-Backbone interact. energy: 1.008 local terms energy: -288.024766 where: bonds (distance) C4'-P energy: -58.341 bonds (distance) P-C4' energy: -54.797 flat angles C4'-P-C4' energy: -64.799 flat angles P-C4'-P energy: -36.673 tors. eta vs tors. theta energy: -73.414 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: 1 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -815.079733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.079733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.079733 (E_RNA) where: Base-Base interactions energy: -546.351 where: short stacking energy: -227.705 Base-Backbone interact. energy: -1.735 local terms energy: -266.993682 where: bonds (distance) C4'-P energy: -56.119 bonds (distance) P-C4' energy: -52.434 flat angles C4'-P-C4' energy: -65.629 flat angles P-C4'-P energy: -37.020 tors. eta vs tors. theta energy: -55.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -812.922684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.922684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.922684 (E_RNA) where: Base-Base interactions energy: -562.977 where: short stacking energy: -240.171 Base-Backbone interact. energy: 4.014 local terms energy: -253.959286 where: bonds (distance) C4'-P energy: -36.614 bonds (distance) P-C4' energy: -55.633 flat angles C4'-P-C4' energy: -62.525 flat angles P-C4'-P energy: -41.460 tors. eta vs tors. theta energy: -57.728 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: 8, replica: 5 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -656.846468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.846468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.846468 (E_RNA) where: Base-Base interactions energy: -420.952 where: short stacking energy: -183.442 Base-Backbone interact. energy: -0.263 local terms energy: -235.631007 where: bonds (distance) C4'-P energy: -62.386 bonds (distance) P-C4' energy: -47.412 flat angles C4'-P-C4' energy: -53.192 flat angles P-C4'-P energy: -35.969 tors. eta vs tors. theta energy: -36.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -574.811558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.811558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.811558 (E_RNA) where: Base-Base interactions energy: -351.487 where: short stacking energy: -173.765 Base-Backbone interact. energy: -0.176 local terms energy: -223.148885 where: bonds (distance) C4'-P energy: -58.430 bonds (distance) P-C4' energy: -51.020 flat angles C4'-P-C4' energy: -50.238 flat angles P-C4'-P energy: -41.491 tors. eta vs tors. theta energy: -21.970 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: 10, replica: 2 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -381.938099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.938099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.938099 (E_RNA) where: Base-Base interactions energy: -184.525 where: short stacking energy: -109.898 Base-Backbone interact. energy: -0.010 local terms energy: -197.403101 where: bonds (distance) C4'-P energy: -47.553 bonds (distance) P-C4' energy: -60.229 flat angles C4'-P-C4' energy: -58.751 flat angles P-C4'-P energy: -38.613 tors. eta vs tors. theta energy: 7.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1196.463115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.463115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.463115 (E_RNA) where: Base-Base interactions energy: -825.113 where: short stacking energy: -345.647 Base-Backbone interact. energy: -0.716 local terms energy: -370.633686 where: bonds (distance) C4'-P energy: -62.048 bonds (distance) P-C4' energy: -62.217 flat angles C4'-P-C4' energy: -77.724 flat angles P-C4'-P energy: -60.197 tors. eta vs tors. theta energy: -108.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1150.656944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.656944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.656944 (E_RNA) where: Base-Base interactions energy: -795.580 where: short stacking energy: -344.067 Base-Backbone interact. energy: -1.825 local terms energy: -353.251476 where: bonds (distance) C4'-P energy: -63.999 bonds (distance) P-C4' energy: -69.522 flat angles C4'-P-C4' energy: -70.820 flat angles P-C4'-P energy: -52.338 tors. eta vs tors. theta energy: -96.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1103.003672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.003672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.003672 (E_RNA) where: Base-Base interactions energy: -750.720 where: short stacking energy: -343.493 Base-Backbone interact. energy: -3.008 local terms energy: -349.275258 where: bonds (distance) C4'-P energy: -60.741 bonds (distance) P-C4' energy: -63.138 flat angles C4'-P-C4' energy: -73.313 flat angles P-C4'-P energy: -46.602 tors. eta vs tors. theta energy: -105.482 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: 4, replica: 6 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1019.804728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.804728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.804728 (E_RNA) where: Base-Base interactions energy: -696.276 where: short stacking energy: -315.313 Base-Backbone interact. energy: -1.971 local terms energy: -321.558563 where: bonds (distance) C4'-P energy: -57.570 bonds (distance) P-C4' energy: -58.371 flat angles C4'-P-C4' energy: -66.332 flat angles P-C4'-P energy: -47.854 tors. eta vs tors. theta energy: -91.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -925.530838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.530838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.530838 (E_RNA) where: Base-Base interactions energy: -637.455 where: short stacking energy: -286.977 Base-Backbone interact. energy: 0.550 local terms energy: -288.625947 where: bonds (distance) C4'-P energy: -51.038 bonds (distance) P-C4' energy: -53.209 flat angles C4'-P-C4' energy: -67.436 flat angles P-C4'-P energy: -46.002 tors. eta vs tors. theta energy: -70.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -861.406598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.406598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.406598 (E_RNA) where: Base-Base interactions energy: -574.860 where: short stacking energy: -232.146 Base-Backbone interact. energy: -2.026 local terms energy: -284.520917 where: bonds (distance) C4'-P energy: -62.097 bonds (distance) P-C4' energy: -48.544 flat angles C4'-P-C4' energy: -67.319 flat angles P-C4'-P energy: -38.950 tors. eta vs tors. theta energy: -67.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -838.242090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.242090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.242090 (E_RNA) where: Base-Base interactions energy: -559.129 where: short stacking energy: -242.357 Base-Backbone interact. energy: -0.688 local terms energy: -278.424843 where: bonds (distance) C4'-P energy: -48.398 bonds (distance) P-C4' energy: -66.934 flat angles C4'-P-C4' energy: -57.448 flat angles P-C4'-P energy: -49.143 tors. eta vs tors. theta energy: -56.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -658.133759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.133759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.133759 (E_RNA) where: Base-Base interactions energy: -416.104 where: short stacking energy: -180.637 Base-Backbone interact. energy: -1.057 local terms energy: -240.973057 where: bonds (distance) C4'-P energy: -52.714 bonds (distance) P-C4' energy: -54.815 flat angles C4'-P-C4' energy: -57.794 flat angles P-C4'-P energy: -33.820 tors. eta vs tors. theta energy: -41.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -540.421751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.421751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.421751 (E_RNA) where: Base-Base interactions energy: -320.917 where: short stacking energy: -136.249 Base-Backbone interact. energy: 0.089 local terms energy: -219.594107 where: bonds (distance) C4'-P energy: -48.425 bonds (distance) P-C4' energy: -56.952 flat angles C4'-P-C4' energy: -64.623 flat angles P-C4'-P energy: -29.480 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: 10, replica: 2 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -393.484614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.484614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.484614 (E_RNA) where: Base-Base interactions energy: -192.500 where: short stacking energy: -112.324 Base-Backbone interact. energy: 4.216 local terms energy: -205.200108 where: bonds (distance) C4'-P energy: -50.375 bonds (distance) P-C4' energy: -61.336 flat angles C4'-P-C4' energy: -57.977 flat angles P-C4'-P energy: -32.793 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1183.144321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.144321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.144321 (E_RNA) where: Base-Base interactions energy: -815.850 where: short stacking energy: -350.662 Base-Backbone interact. energy: -2.130 local terms energy: -365.163897 where: bonds (distance) C4'-P energy: -70.176 bonds (distance) P-C4' energy: -68.440 flat angles C4'-P-C4' energy: -77.026 flat angles P-C4'-P energy: -51.296 tors. eta vs tors. theta energy: -98.227 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: 2, replica: 10 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1130.807620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.807620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.807620 (E_RNA) where: Base-Base interactions energy: -786.515 where: short stacking energy: -345.942 Base-Backbone interact. energy: -1.268 local terms energy: -343.023796 where: bonds (distance) C4'-P energy: -61.439 bonds (distance) P-C4' energy: -61.299 flat angles C4'-P-C4' energy: -75.437 flat angles P-C4'-P energy: -50.254 tors. eta vs tors. theta energy: -94.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1131.884341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.884341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.884341 (E_RNA) where: Base-Base interactions energy: -772.289 where: short stacking energy: -339.218 Base-Backbone interact. energy: -2.032 local terms energy: -357.563617 where: bonds (distance) C4'-P energy: -68.529 bonds (distance) P-C4' energy: -57.680 flat angles C4'-P-C4' energy: -70.737 flat angles P-C4'-P energy: -61.987 tors. eta vs tors. theta energy: -98.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1008.968415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.968415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.968415 (E_RNA) where: Base-Base interactions energy: -705.708 where: short stacking energy: -299.588 Base-Backbone interact. energy: -0.428 local terms energy: -302.832478 where: bonds (distance) C4'-P energy: -41.056 bonds (distance) P-C4' energy: -56.181 flat angles C4'-P-C4' energy: -69.916 flat angles P-C4'-P energy: -45.181 tors. eta vs tors. theta energy: -90.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -920.464516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.464516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.464516 (E_RNA) where: Base-Base interactions energy: -622.137 where: short stacking energy: -265.784 Base-Backbone interact. energy: 0.358 local terms energy: -298.685260 where: bonds (distance) C4'-P energy: -53.162 bonds (distance) P-C4' energy: -61.441 flat angles C4'-P-C4' energy: -66.511 flat angles P-C4'-P energy: -45.710 tors. eta vs tors. theta energy: -71.860 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: 1 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -832.599155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.599155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.599155 (E_RNA) where: Base-Base interactions energy: -568.687 where: short stacking energy: -257.724 Base-Backbone interact. energy: -0.741 local terms energy: -263.170894 where: bonds (distance) C4'-P energy: -46.974 bonds (distance) P-C4' energy: -52.408 flat angles C4'-P-C4' energy: -66.165 flat angles P-C4'-P energy: -44.412 tors. eta vs tors. theta energy: -53.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -802.105374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.105374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.105374 (E_RNA) where: Base-Base interactions energy: -526.427 where: short stacking energy: -231.546 Base-Backbone interact. energy: -1.202 local terms energy: -274.476466 where: bonds (distance) C4'-P energy: -48.345 bonds (distance) P-C4' energy: -59.297 flat angles C4'-P-C4' energy: -59.655 flat angles P-C4'-P energy: -39.937 tors. eta vs tors. theta energy: -67.243 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: 5 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -680.896267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.896267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.896267 (E_RNA) where: Base-Base interactions energy: -427.481 where: short stacking energy: -178.468 Base-Backbone interact. energy: 0.544 local terms energy: -253.959377 where: bonds (distance) C4'-P energy: -59.764 bonds (distance) P-C4' energy: -65.619 flat angles C4'-P-C4' energy: -57.458 flat angles P-C4'-P energy: -34.891 tors. eta vs tors. theta energy: -36.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -591.414836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.414836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.414836 (E_RNA) where: Base-Base interactions energy: -365.504 where: short stacking energy: -181.517 Base-Backbone interact. energy: -0.431 local terms energy: -225.479132 where: bonds (distance) C4'-P energy: -60.431 bonds (distance) P-C4' energy: -59.441 flat angles C4'-P-C4' energy: -48.761 flat angles P-C4'-P energy: -31.337 tors. eta vs tors. theta energy: -25.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -399.476465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.476465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.476465 (E_RNA) where: Base-Base interactions energy: -176.375 where: short stacking energy: -114.880 Base-Backbone interact. energy: -1.099 local terms energy: -222.002356 where: bonds (distance) C4'-P energy: -59.451 bonds (distance) P-C4' energy: -68.053 flat angles C4'-P-C4' energy: -54.383 flat angles P-C4'-P energy: -33.784 tors. eta vs tors. theta energy: -6.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1182.491594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.491594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.491594 (E_RNA) where: Base-Base interactions energy: -824.844 where: short stacking energy: -340.591 Base-Backbone interact. energy: -1.150 local terms energy: -356.497049 where: bonds (distance) C4'-P energy: -61.517 bonds (distance) P-C4' energy: -61.752 flat angles C4'-P-C4' energy: -76.239 flat angles P-C4'-P energy: -53.766 tors. eta vs tors. theta energy: -103.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1134.424228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.424228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.424228 (E_RNA) where: Base-Base interactions energy: -797.834 where: short stacking energy: -341.780 Base-Backbone interact. energy: -0.273 local terms energy: -336.316961 where: bonds (distance) C4'-P energy: -56.728 bonds (distance) P-C4' energy: -60.575 flat angles C4'-P-C4' energy: -71.636 flat angles P-C4'-P energy: -45.002 tors. eta vs tors. theta energy: -102.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1088.984231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.984231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.984231 (E_RNA) where: Base-Base interactions energy: -734.388 where: short stacking energy: -335.746 Base-Backbone interact. energy: 0.453 local terms energy: -355.049902 where: bonds (distance) C4'-P energy: -66.294 bonds (distance) P-C4' energy: -62.874 flat angles C4'-P-C4' energy: -74.749 flat angles P-C4'-P energy: -54.116 tors. eta vs tors. theta energy: -97.017 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: 4, replica: 6 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1038.196091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.196091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.196091 (E_RNA) where: Base-Base interactions energy: -717.852 where: short stacking energy: -301.787 Base-Backbone interact. energy: -0.449 local terms energy: -319.894887 where: bonds (distance) C4'-P energy: -65.774 bonds (distance) P-C4' energy: -56.649 flat angles C4'-P-C4' energy: -65.701 flat angles P-C4'-P energy: -46.469 tors. eta vs tors. theta energy: -85.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -909.381723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.381723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.381723 (E_RNA) where: Base-Base interactions energy: -611.817 where: short stacking energy: -269.847 Base-Backbone interact. energy: -4.029 local terms energy: -293.536460 where: bonds (distance) C4'-P energy: -62.530 bonds (distance) P-C4' energy: -67.740 flat angles C4'-P-C4' energy: -60.126 flat angles P-C4'-P energy: -34.381 tors. eta vs tors. theta energy: -68.760 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: 6, replica: 1 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -841.759074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.759074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.759074 (E_RNA) where: Base-Base interactions energy: -564.920 where: short stacking energy: -242.786 Base-Backbone interact. energy: 1.420 local terms energy: -278.258271 where: bonds (distance) C4'-P energy: -44.836 bonds (distance) P-C4' energy: -55.724 flat angles C4'-P-C4' energy: -69.416 flat angles P-C4'-P energy: -49.908 tors. eta vs tors. theta energy: -58.374 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: 4 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -797.854903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.854903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.854903 (E_RNA) where: Base-Base interactions energy: -546.861 where: short stacking energy: -228.625 Base-Backbone interact. energy: -0.708 local terms energy: -250.285980 where: bonds (distance) C4'-P energy: -53.127 bonds (distance) P-C4' energy: -54.054 flat angles C4'-P-C4' energy: -54.370 flat angles P-C4'-P energy: -33.067 tors. eta vs tors. theta energy: -55.669 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: 5 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -680.809610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.809610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.809610 (E_RNA) where: Base-Base interactions energy: -450.082 where: short stacking energy: -184.982 Base-Backbone interact. energy: -0.113 local terms energy: -230.614381 where: bonds (distance) C4'-P energy: -48.727 bonds (distance) P-C4' energy: -57.286 flat angles C4'-P-C4' energy: -67.975 flat angles P-C4'-P energy: -26.517 tors. eta vs tors. theta energy: -30.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -577.478481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.478481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.478481 (E_RNA) where: Base-Base interactions energy: -348.847 where: short stacking energy: -153.574 Base-Backbone interact. energy: -0.913 local terms energy: -227.718193 where: bonds (distance) C4'-P energy: -58.952 bonds (distance) P-C4' energy: -64.259 flat angles C4'-P-C4' energy: -44.170 flat angles P-C4'-P energy: -37.465 tors. eta vs tors. theta energy: -22.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -391.099429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.099429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.099429 (E_RNA) where: Base-Base interactions energy: -186.313 where: short stacking energy: -115.010 Base-Backbone interact. energy: 0.235 local terms energy: -205.021627 where: bonds (distance) C4'-P energy: -43.818 bonds (distance) P-C4' energy: -62.578 flat angles C4'-P-C4' energy: -61.284 flat angles P-C4'-P energy: -36.724 tors. eta vs tors. theta energy: -0.617 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: 8 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1191.928423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.928423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.928423 (E_RNA) where: Base-Base interactions energy: -827.321 where: short stacking energy: -352.372 Base-Backbone interact. energy: -0.249 local terms energy: -364.358850 where: bonds (distance) C4'-P energy: -73.292 bonds (distance) P-C4' energy: -64.438 flat angles C4'-P-C4' energy: -79.958 flat angles P-C4'-P energy: -44.981 tors. eta vs tors. theta energy: -101.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1116.137939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.137939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.137939 (E_RNA) where: Base-Base interactions energy: -741.609 where: short stacking energy: -324.712 Base-Backbone interact. energy: -1.733 local terms energy: -372.795488 where: bonds (distance) C4'-P energy: -69.328 bonds (distance) P-C4' energy: -65.836 flat angles C4'-P-C4' energy: -77.659 flat angles P-C4'-P energy: -52.489 tors. eta vs tors. theta energy: -107.483 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: 266 Temperature: 1.000000 Total energy: -1104.247064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.247064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.247064 (E_RNA) where: Base-Base interactions energy: -757.184 where: short stacking energy: -347.589 Base-Backbone interact. energy: 0.358 local terms energy: -347.420877 where: bonds (distance) C4'-P energy: -55.964 bonds (distance) P-C4' energy: -62.576 flat angles C4'-P-C4' energy: -76.724 flat angles P-C4'-P energy: -51.770 tors. eta vs tors. theta energy: -100.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1023.867308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.867308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.867308 (E_RNA) where: Base-Base interactions energy: -712.577 where: short stacking energy: -284.178 Base-Backbone interact. energy: -0.667 local terms energy: -310.622894 where: bonds (distance) C4'-P energy: -58.814 bonds (distance) P-C4' energy: -56.191 flat angles C4'-P-C4' energy: -65.876 flat angles P-C4'-P energy: -41.370 tors. eta vs tors. theta energy: -88.371 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: 5, replica: 9 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -927.436335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.436335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.436335 (E_RNA) where: Base-Base interactions energy: -632.503 where: short stacking energy: -278.695 Base-Backbone interact. energy: -0.604 local terms energy: -294.329373 where: bonds (distance) C4'-P energy: -59.499 bonds (distance) P-C4' energy: -58.254 flat angles C4'-P-C4' energy: -64.378 flat angles P-C4'-P energy: -40.125 tors. eta vs tors. theta energy: -72.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -849.917257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.917257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.917257 (E_RNA) where: Base-Base interactions energy: -566.693 where: short stacking energy: -260.818 Base-Backbone interact. energy: -2.902 local terms energy: -280.322517 where: bonds (distance) C4'-P energy: -55.919 bonds (distance) P-C4' energy: -49.442 flat angles C4'-P-C4' energy: -64.038 flat angles P-C4'-P energy: -47.965 tors. eta vs tors. theta energy: -62.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -849.662924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.662924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.662924 (E_RNA) where: Base-Base interactions energy: -559.072 where: short stacking energy: -248.117 Base-Backbone interact. energy: 0.166 local terms energy: -290.757624 where: bonds (distance) C4'-P energy: -58.777 bonds (distance) P-C4' energy: -53.560 flat angles C4'-P-C4' energy: -60.857 flat angles P-C4'-P energy: -48.703 tors. eta vs tors. theta energy: -68.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -682.305638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.305638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.305638 (E_RNA) where: Base-Base interactions energy: -428.704 where: short stacking energy: -193.615 Base-Backbone interact. energy: -2.658 local terms energy: -250.943870 where: bonds (distance) C4'-P energy: -62.170 bonds (distance) P-C4' energy: -64.022 flat angles C4'-P-C4' energy: -54.382 flat angles P-C4'-P energy: -32.654 tors. eta vs tors. theta energy: -37.716 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: 7 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -654.886519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.886519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.886519 (E_RNA) where: Base-Base interactions energy: -431.742 where: short stacking energy: -205.081 Base-Backbone interact. energy: 1.015 local terms energy: -224.159651 where: bonds (distance) C4'-P energy: -56.828 bonds (distance) P-C4' energy: -50.603 flat angles C4'-P-C4' energy: -48.166 flat angles P-C4'-P energy: -25.650 tors. eta vs tors. theta energy: -42.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -366.490588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.490588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.490588 (E_RNA) where: Base-Base interactions energy: -179.141 where: short stacking energy: -109.229 Base-Backbone interact. energy: -2.215 local terms energy: -185.133843 where: bonds (distance) C4'-P energy: -52.086 bonds (distance) P-C4' energy: -48.853 flat angles C4'-P-C4' energy: -42.110 flat angles P-C4'-P energy: -32.789 tors. eta vs tors. theta energy: -9.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1174.005980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.005980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.005980 (E_RNA) where: Base-Base interactions energy: -805.311 where: short stacking energy: -346.226 Base-Backbone interact. energy: -0.779 local terms energy: -367.916316 where: bonds (distance) C4'-P energy: -66.503 bonds (distance) P-C4' energy: -63.760 flat angles C4'-P-C4' energy: -76.412 flat angles P-C4'-P energy: -57.391 tors. eta vs tors. theta energy: -103.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1138.518151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.518151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.518151 (E_RNA) where: Base-Base interactions energy: -788.632 where: short stacking energy: -339.753 Base-Backbone interact. energy: -0.565 local terms energy: -349.320314 where: bonds (distance) C4'-P energy: -57.737 bonds (distance) P-C4' energy: -62.930 flat angles C4'-P-C4' energy: -69.495 flat angles P-C4'-P energy: -58.086 tors. eta vs tors. theta energy: -101.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1071.318823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.318823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.318823 (E_RNA) where: Base-Base interactions energy: -741.551 where: short stacking energy: -319.364 Base-Backbone interact. energy: -1.831 local terms energy: -327.936880 where: bonds (distance) C4'-P energy: -54.558 bonds (distance) P-C4' energy: -64.275 flat angles C4'-P-C4' energy: -72.684 flat angles P-C4'-P energy: -42.447 tors. eta vs tors. theta energy: -93.973 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: 4, replica: 6 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -973.528307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.528307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.528307 (E_RNA) where: Base-Base interactions energy: -684.393 where: short stacking energy: -297.853 Base-Backbone interact. energy: -0.476 local terms energy: -288.659317 where: bonds (distance) C4'-P energy: -45.896 bonds (distance) P-C4' energy: -58.164 flat angles C4'-P-C4' energy: -62.511 flat angles P-C4'-P energy: -33.701 tors. eta vs tors. theta energy: -88.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -938.592069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.592069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.592069 (E_RNA) where: Base-Base interactions energy: -637.068 where: short stacking energy: -263.840 Base-Backbone interact. energy: -0.246 local terms energy: -301.277822 where: bonds (distance) C4'-P energy: -54.164 bonds (distance) P-C4' energy: -60.093 flat angles C4'-P-C4' energy: -62.993 flat angles P-C4'-P energy: -49.701 tors. eta vs tors. theta energy: -74.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -876.900800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.900800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.900800 (E_RNA) where: Base-Base interactions energy: -594.157 where: short stacking energy: -255.782 Base-Backbone interact. energy: 0.286 local terms energy: -283.029920 where: bonds (distance) C4'-P energy: -64.911 bonds (distance) P-C4' energy: -56.459 flat angles C4'-P-C4' energy: -57.418 flat angles P-C4'-P energy: -35.691 tors. eta vs tors. theta energy: -68.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -833.238691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.238691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.238691 (E_RNA) where: Base-Base interactions energy: -556.950 where: short stacking energy: -237.558 Base-Backbone interact. energy: 2.083 local terms energy: -278.371590 where: bonds (distance) C4'-P energy: -57.822 bonds (distance) P-C4' energy: -59.309 flat angles C4'-P-C4' energy: -59.793 flat angles P-C4'-P energy: -33.042 tors. eta vs tors. theta energy: -68.405 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: 5 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -644.172978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.172978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.172978 (E_RNA) where: Base-Base interactions energy: -427.126 where: short stacking energy: -188.942 Base-Backbone interact. energy: -1.028 local terms energy: -216.018981 where: bonds (distance) C4'-P energy: -55.189 bonds (distance) P-C4' energy: -58.528 flat angles C4'-P-C4' energy: -43.466 flat angles P-C4'-P energy: -21.601 tors. eta vs tors. theta energy: -37.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -565.328193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.328193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.328193 (E_RNA) where: Base-Base interactions energy: -350.124 where: short stacking energy: -163.577 Base-Backbone interact. energy: 0.253 local terms energy: -215.456973 where: bonds (distance) C4'-P energy: -57.212 bonds (distance) P-C4' energy: -50.076 flat angles C4'-P-C4' energy: -52.277 flat angles P-C4'-P energy: -30.125 tors. eta vs tors. theta energy: -25.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -333.500784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.500784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.500784 (E_RNA) where: Base-Base interactions energy: -169.503 where: short stacking energy: -98.512 Base-Backbone interact. energy: -1.124 local terms energy: -162.873964 where: bonds (distance) C4'-P energy: -49.175 bonds (distance) P-C4' energy: -51.208 flat angles C4'-P-C4' energy: -41.320 flat angles P-C4'-P energy: -29.570 tors. eta vs tors. theta energy: 8.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1179.556062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.556062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.556062 (E_RNA) where: Base-Base interactions energy: -835.675 where: short stacking energy: -355.765 Base-Backbone interact. energy: -0.349 local terms energy: -343.531404 where: bonds (distance) C4'-P energy: -57.584 bonds (distance) P-C4' energy: -56.883 flat angles C4'-P-C4' energy: -72.642 flat angles P-C4'-P energy: -56.335 tors. eta vs tors. theta energy: -100.088 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: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1089.746394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.746394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.746394 (E_RNA) where: Base-Base interactions energy: -737.560 where: short stacking energy: -326.525 Base-Backbone interact. energy: 2.078 local terms energy: -354.264205 where: bonds (distance) C4'-P energy: -61.978 bonds (distance) P-C4' energy: -62.171 flat angles C4'-P-C4' energy: -70.814 flat angles P-C4'-P energy: -53.096 tors. eta vs tors. theta energy: -106.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1103.664313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.664313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.664313 (E_RNA) where: Base-Base interactions energy: -756.875 where: short stacking energy: -308.288 Base-Backbone interact. energy: 0.923 local terms energy: -347.712607 where: bonds (distance) C4'-P energy: -60.234 bonds (distance) P-C4' energy: -64.363 flat angles C4'-P-C4' energy: -78.733 flat angles P-C4'-P energy: -50.574 tors. eta vs tors. theta energy: -93.809 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: 268 Temperature: 1.050000 Total energy: -1013.637711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.637711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.637711 (E_RNA) where: Base-Base interactions energy: -690.229 where: short stacking energy: -297.635 Base-Backbone interact. energy: -0.536 local terms energy: -322.872702 where: bonds (distance) C4'-P energy: -55.264 bonds (distance) P-C4' energy: -59.277 flat angles C4'-P-C4' energy: -67.248 flat angles P-C4'-P energy: -48.239 tors. eta vs tors. theta energy: -92.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -941.470858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.470858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.470858 (E_RNA) where: Base-Base interactions energy: -630.913 where: short stacking energy: -274.221 Base-Backbone interact. energy: -1.340 local terms energy: -309.218354 where: bonds (distance) C4'-P energy: -66.117 bonds (distance) P-C4' energy: -61.638 flat angles C4'-P-C4' energy: -61.945 flat angles P-C4'-P energy: -43.430 tors. eta vs tors. theta energy: -76.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -892.943023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.943023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.943023 (E_RNA) where: Base-Base interactions energy: -599.922 where: short stacking energy: -273.773 Base-Backbone interact. energy: 0.883 local terms energy: -293.904491 where: bonds (distance) C4'-P energy: -59.997 bonds (distance) P-C4' energy: -61.318 flat angles C4'-P-C4' energy: -61.062 flat angles P-C4'-P energy: -36.526 tors. eta vs tors. theta energy: -75.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -838.074176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.074176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.074176 (E_RNA) where: Base-Base interactions energy: -565.017 where: short stacking energy: -238.921 Base-Backbone interact. energy: 3.480 local terms energy: -276.536932 where: bonds (distance) C4'-P energy: -61.927 bonds (distance) P-C4' energy: -67.725 flat angles C4'-P-C4' energy: -62.182 flat angles P-C4'-P energy: -30.233 tors. eta vs tors. theta energy: -54.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -662.138845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.138845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.138845 (E_RNA) where: Base-Base interactions energy: -452.101 where: short stacking energy: -199.343 Base-Backbone interact. energy: 1.498 local terms energy: -211.535510 where: bonds (distance) C4'-P energy: -62.345 bonds (distance) P-C4' energy: -48.873 flat angles C4'-P-C4' energy: -40.338 flat angles P-C4'-P energy: -25.579 tors. eta vs tors. theta energy: -34.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -617.315997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.315997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.315997 (E_RNA) where: Base-Base interactions energy: -381.215 where: short stacking energy: -172.644 Base-Backbone interact. energy: 0.881 local terms energy: -236.981357 where: bonds (distance) C4'-P energy: -53.919 bonds (distance) P-C4' energy: -60.471 flat angles C4'-P-C4' energy: -49.084 flat angles P-C4'-P energy: -38.637 tors. eta vs tors. theta energy: -34.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -361.873568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.873568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.873568 (E_RNA) where: Base-Base interactions energy: -161.958 where: short stacking energy: -105.986 Base-Backbone interact. energy: 1.637 local terms energy: -201.552570 where: bonds (distance) C4'-P energy: -57.946 bonds (distance) P-C4' energy: -54.982 flat angles C4'-P-C4' energy: -58.820 flat angles P-C4'-P energy: -23.737 tors. eta vs tors. theta energy: -6.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1167.227237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.227237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.227237 (E_RNA) where: Base-Base interactions energy: -823.226 where: short stacking energy: -350.229 Base-Backbone interact. energy: 0.520 local terms energy: -344.521323 where: bonds (distance) C4'-P energy: -62.353 bonds (distance) P-C4' energy: -61.980 flat angles C4'-P-C4' energy: -77.901 flat angles P-C4'-P energy: -48.293 tors. eta vs tors. theta energy: -93.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1132.929376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.929376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.929376 (E_RNA) where: Base-Base interactions energy: -776.360 where: short stacking energy: -334.161 Base-Backbone interact. energy: -3.038 local terms energy: -353.530770 where: bonds (distance) C4'-P energy: -66.877 bonds (distance) P-C4' energy: -64.927 flat angles C4'-P-C4' energy: -78.568 flat angles P-C4'-P energy: -49.958 tors. eta vs tors. theta energy: -93.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1072.363020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.363020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.363020 (E_RNA) where: Base-Base interactions energy: -736.411 where: short stacking energy: -321.960 Base-Backbone interact. energy: 5.644 local terms energy: -341.595825 where: bonds (distance) C4'-P energy: -62.204 bonds (distance) P-C4' energy: -63.596 flat angles C4'-P-C4' energy: -66.572 flat angles P-C4'-P energy: -51.868 tors. eta vs tors. theta energy: -97.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1028.756738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.756738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.756738 (E_RNA) where: Base-Base interactions energy: -706.851 where: short stacking energy: -281.913 Base-Backbone interact. energy: -1.964 local terms energy: -319.941966 where: bonds (distance) C4'-P energy: -63.190 bonds (distance) P-C4' energy: -61.808 flat angles C4'-P-C4' energy: -61.453 flat angles P-C4'-P energy: -46.612 tors. eta vs tors. theta energy: -86.879 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: 9 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -967.821228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.821228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.821228 (E_RNA) where: Base-Base interactions energy: -667.027 where: short stacking energy: -278.106 Base-Backbone interact. energy: -0.542 local terms energy: -300.252045 where: bonds (distance) C4'-P energy: -60.193 bonds (distance) P-C4' energy: -61.968 flat angles C4'-P-C4' energy: -62.055 flat angles P-C4'-P energy: -44.703 tors. eta vs tors. theta energy: -71.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -894.587739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.587739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.587739 (E_RNA) where: Base-Base interactions energy: -599.308 where: short stacking energy: -249.999 Base-Backbone interact. energy: -2.628 local terms energy: -292.651965 where: bonds (distance) C4'-P energy: -52.060 bonds (distance) P-C4' energy: -67.231 flat angles C4'-P-C4' energy: -62.712 flat angles P-C4'-P energy: -46.033 tors. eta vs tors. theta energy: -64.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -837.681985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.681985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.681985 (E_RNA) where: Base-Base interactions energy: -561.115 where: short stacking energy: -244.156 Base-Backbone interact. energy: 1.538 local terms energy: -278.105245 where: bonds (distance) C4'-P energy: -58.341 bonds (distance) P-C4' energy: -46.324 flat angles C4'-P-C4' energy: -60.770 flat angles P-C4'-P energy: -44.048 tors. eta vs tors. theta energy: -68.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -665.417708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.417708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.417708 (E_RNA) where: Base-Base interactions energy: -433.741 where: short stacking energy: -199.226 Base-Backbone interact. energy: 0.304 local terms energy: -231.981069 where: bonds (distance) C4'-P energy: -50.983 bonds (distance) P-C4' energy: -53.794 flat angles C4'-P-C4' energy: -51.461 flat angles P-C4'-P energy: -33.608 tors. eta vs tors. theta energy: -42.136 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: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -625.653587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.653587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.653587 (E_RNA) where: Base-Base interactions energy: -395.559 where: short stacking energy: -194.297 Base-Backbone interact. energy: -0.453 local terms energy: -229.641056 where: bonds (distance) C4'-P energy: -58.237 bonds (distance) P-C4' energy: -57.225 flat angles C4'-P-C4' energy: -52.660 flat angles P-C4'-P energy: -15.835 tors. eta vs tors. theta energy: -45.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -365.903566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.903566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.903566 (E_RNA) where: Base-Base interactions energy: -185.701 where: short stacking energy: -99.930 Base-Backbone interact. energy: -0.343 local terms energy: -179.858993 where: bonds (distance) C4'-P energy: -53.258 bonds (distance) P-C4' energy: -42.636 flat angles C4'-P-C4' energy: -45.415 flat angles P-C4'-P energy: -36.088 tors. eta vs tors. theta energy: -2.462 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: 8 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1183.357859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.357859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.357859 (E_RNA) where: Base-Base interactions energy: -830.691 where: short stacking energy: -358.007 Base-Backbone interact. energy: -2.237 local terms energy: -350.429843 where: bonds (distance) C4'-P energy: -63.889 bonds (distance) P-C4' energy: -59.833 flat angles C4'-P-C4' energy: -73.637 flat angles P-C4'-P energy: -52.791 tors. eta vs tors. theta energy: -100.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1138.756607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.756607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.756607 (E_RNA) where: Base-Base interactions energy: -788.038 where: short stacking energy: -330.915 Base-Backbone interact. energy: -1.762 local terms energy: -348.956694 where: bonds (distance) C4'-P energy: -59.539 bonds (distance) P-C4' energy: -62.116 flat angles C4'-P-C4' energy: -74.692 flat angles P-C4'-P energy: -52.673 tors. eta vs tors. theta energy: -99.936 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: 3, replica: 3 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1071.731785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.731785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.731785 (E_RNA) where: Base-Base interactions energy: -734.487 where: short stacking energy: -339.136 Base-Backbone interact. energy: -1.719 local terms energy: -335.526374 where: bonds (distance) C4'-P energy: -68.597 bonds (distance) P-C4' energy: -56.042 flat angles C4'-P-C4' energy: -66.711 flat angles P-C4'-P energy: -45.253 tors. eta vs tors. theta energy: -98.923 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: 4, replica: 6 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1019.660808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.660808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.660808 (E_RNA) where: Base-Base interactions energy: -707.120 where: short stacking energy: -303.454 Base-Backbone interact. energy: -1.728 local terms energy: -310.812748 where: bonds (distance) C4'-P energy: -50.041 bonds (distance) P-C4' energy: -57.035 flat angles C4'-P-C4' energy: -75.236 flat angles P-C4'-P energy: -43.013 tors. eta vs tors. theta energy: -85.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -925.821286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.821286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.821286 (E_RNA) where: Base-Base interactions energy: -634.912 where: short stacking energy: -282.130 Base-Backbone interact. energy: -0.345 local terms energy: -290.563701 where: bonds (distance) C4'-P energy: -62.354 bonds (distance) P-C4' energy: -50.657 flat angles C4'-P-C4' energy: -55.797 flat angles P-C4'-P energy: -49.603 tors. eta vs tors. theta energy: -72.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -907.256192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.256192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.256192 (E_RNA) where: Base-Base interactions energy: -632.009 where: short stacking energy: -270.577 Base-Backbone interact. energy: -1.414 local terms energy: -273.832993 where: bonds (distance) C4'-P energy: -43.536 bonds (distance) P-C4' energy: -60.555 flat angles C4'-P-C4' energy: -63.580 flat angles P-C4'-P energy: -41.960 tors. eta vs tors. theta energy: -64.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -833.307199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.307199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.307199 (E_RNA) where: Base-Base interactions energy: -565.269 where: short stacking energy: -241.761 Base-Backbone interact. energy: -0.224 local terms energy: -267.813835 where: bonds (distance) C4'-P energy: -70.214 bonds (distance) P-C4' energy: -60.958 flat angles C4'-P-C4' energy: -57.117 flat angles P-C4'-P energy: -24.167 tors. eta vs tors. theta energy: -55.358 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: 5 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -671.886703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.886703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.886703 (E_RNA) where: Base-Base interactions energy: -437.647 where: short stacking energy: -203.201 Base-Backbone interact. energy: -0.166 local terms energy: -234.074212 where: bonds (distance) C4'-P energy: -59.026 bonds (distance) P-C4' energy: -54.874 flat angles C4'-P-C4' energy: -62.775 flat angles P-C4'-P energy: -20.607 tors. eta vs tors. theta energy: -36.792 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: 7 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -603.322036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.322036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.322036 (E_RNA) where: Base-Base interactions energy: -378.092 where: short stacking energy: -184.521 Base-Backbone interact. energy: 1.578 local terms energy: -226.808139 where: bonds (distance) C4'-P energy: -58.798 bonds (distance) P-C4' energy: -47.102 flat angles C4'-P-C4' energy: -51.821 flat angles P-C4'-P energy: -31.429 tors. eta vs tors. theta energy: -37.658 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: 10, replica: 2 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -343.194029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.194029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.194029 (E_RNA) where: Base-Base interactions energy: -152.969 where: short stacking energy: -91.535 Base-Backbone interact. energy: 0.943 local terms energy: -191.168142 where: bonds (distance) C4'-P energy: -51.231 bonds (distance) P-C4' energy: -60.521 flat angles C4'-P-C4' energy: -50.596 flat angles P-C4'-P energy: -32.145 tors. eta vs tors. theta energy: 3.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1190.713648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.713648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.713648 (E_RNA) where: Base-Base interactions energy: -834.974 where: short stacking energy: -345.954 Base-Backbone interact. energy: -1.741 local terms energy: -353.998386 where: bonds (distance) C4'-P energy: -68.294 bonds (distance) P-C4' energy: -65.882 flat angles C4'-P-C4' energy: -71.418 flat angles P-C4'-P energy: -43.410 tors. eta vs tors. theta energy: -104.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1108.128431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.128431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.128431 (E_RNA) where: Base-Base interactions energy: -752.099 where: short stacking energy: -345.366 Base-Backbone interact. energy: 1.258 local terms energy: -357.287997 where: bonds (distance) C4'-P energy: -64.103 bonds (distance) P-C4' energy: -68.269 flat angles C4'-P-C4' energy: -72.427 flat angles P-C4'-P energy: -51.305 tors. eta vs tors. theta energy: -101.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1113.052379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.052379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.052379 (E_RNA) where: Base-Base interactions energy: -774.587 where: short stacking energy: -311.692 Base-Backbone interact. energy: -0.746 local terms energy: -337.720093 where: bonds (distance) C4'-P energy: -63.804 bonds (distance) P-C4' energy: -65.731 flat angles C4'-P-C4' energy: -71.175 flat angles P-C4'-P energy: -41.650 tors. eta vs tors. theta energy: -95.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1017.066303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.066303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.066303 (E_RNA) where: Base-Base interactions energy: -697.311 where: short stacking energy: -313.717 Base-Backbone interact. energy: -2.427 local terms energy: -317.328020 where: bonds (distance) C4'-P energy: -57.186 bonds (distance) P-C4' energy: -60.802 flat angles C4'-P-C4' energy: -67.603 flat angles P-C4'-P energy: -39.564 tors. eta vs tors. theta energy: -92.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -895.225712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.225712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.225712 (E_RNA) where: Base-Base interactions energy: -605.493 where: short stacking energy: -272.098 Base-Backbone interact. energy: -0.594 local terms energy: -289.138780 where: bonds (distance) C4'-P energy: -64.143 bonds (distance) P-C4' energy: -52.367 flat angles C4'-P-C4' energy: -54.336 flat angles P-C4'-P energy: -45.538 tors. eta vs tors. theta energy: -72.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -931.785450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.785450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.785450 (E_RNA) where: Base-Base interactions energy: -625.374 where: short stacking energy: -272.957 Base-Backbone interact. energy: -2.084 local terms energy: -304.327038 where: bonds (distance) C4'-P energy: -65.136 bonds (distance) P-C4' energy: -56.488 flat angles C4'-P-C4' energy: -60.413 flat angles P-C4'-P energy: -43.017 tors. eta vs tors. theta energy: -79.274 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: 4 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -838.563857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.563857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.563857 (E_RNA) where: Base-Base interactions energy: -554.427 where: short stacking energy: -234.180 Base-Backbone interact. energy: 2.319 local terms energy: -286.456189 where: bonds (distance) C4'-P energy: -56.706 bonds (distance) P-C4' energy: -52.195 flat angles C4'-P-C4' energy: -72.445 flat angles P-C4'-P energy: -43.684 tors. eta vs tors. theta energy: -61.426 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: 8, replica: 7 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -631.531681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.531681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.531681 (E_RNA) where: Base-Base interactions energy: -384.316 where: short stacking energy: -176.559 Base-Backbone interact. energy: -1.694 local terms energy: -245.521699 where: bonds (distance) C4'-P energy: -42.356 bonds (distance) P-C4' energy: -70.915 flat angles C4'-P-C4' energy: -54.611 flat angles P-C4'-P energy: -42.954 tors. eta vs tors. theta energy: -34.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -597.557147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.557147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.557147 (E_RNA) where: Base-Base interactions energy: -385.820 where: short stacking energy: -178.098 Base-Backbone interact. energy: 0.485 local terms energy: -212.221997 where: bonds (distance) C4'-P energy: -44.225 bonds (distance) P-C4' energy: -34.399 flat angles C4'-P-C4' energy: -57.848 flat angles P-C4'-P energy: -41.618 tors. eta vs tors. theta energy: -34.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -383.097580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.097580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.097580 (E_RNA) where: Base-Base interactions energy: -195.271 where: short stacking energy: -107.915 Base-Backbone interact. energy: -1.326 local terms energy: -186.500098 where: bonds (distance) C4'-P energy: -53.847 bonds (distance) P-C4' energy: -55.556 flat angles C4'-P-C4' energy: -58.280 flat angles P-C4'-P energy: -31.076 tors. eta vs tors. theta energy: 12.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1187.262338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.262338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.262338 (E_RNA) where: Base-Base interactions energy: -832.653 where: short stacking energy: -353.603 Base-Backbone interact. energy: -0.706 local terms energy: -353.903395 where: bonds (distance) C4'-P energy: -59.651 bonds (distance) P-C4' energy: -66.447 flat angles C4'-P-C4' energy: -70.715 flat angles P-C4'-P energy: -55.418 tors. eta vs tors. theta energy: -101.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1117.037001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.037001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.037001 (E_RNA) where: Base-Base interactions energy: -763.562 where: short stacking energy: -350.551 Base-Backbone interact. energy: -0.881 local terms energy: -352.593351 where: bonds (distance) C4'-P energy: -62.583 bonds (distance) P-C4' energy: -64.768 flat angles C4'-P-C4' energy: -71.376 flat angles P-C4'-P energy: -46.810 tors. eta vs tors. theta energy: -107.057 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: 10 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1117.717260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.717260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.717260 (E_RNA) where: Base-Base interactions energy: -781.527 where: short stacking energy: -330.128 Base-Backbone interact. energy: -1.964 local terms energy: -334.226245 where: bonds (distance) C4'-P energy: -62.724 bonds (distance) P-C4' energy: -60.861 flat angles C4'-P-C4' energy: -71.377 flat angles P-C4'-P energy: -43.400 tors. eta vs tors. theta energy: -95.865 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: 4, replica: 6 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1014.043466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.043466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.043466 (E_RNA) where: Base-Base interactions energy: -704.074 where: short stacking energy: -297.605 Base-Backbone interact. energy: 0.228 local terms energy: -310.197484 where: bonds (distance) C4'-P energy: -56.265 bonds (distance) P-C4' energy: -65.551 flat angles C4'-P-C4' energy: -67.371 flat angles P-C4'-P energy: -29.278 tors. eta vs tors. theta energy: -91.731 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: 9 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -945.268803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.268803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.268803 (E_RNA) where: Base-Base interactions energy: -653.703 where: short stacking energy: -273.204 Base-Backbone interact. energy: -1.056 local terms energy: -290.509511 where: bonds (distance) C4'-P energy: -63.515 bonds (distance) P-C4' energy: -59.881 flat angles C4'-P-C4' energy: -67.454 flat angles P-C4'-P energy: -36.656 tors. eta vs tors. theta energy: -63.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -891.034030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.034030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.034030 (E_RNA) where: Base-Base interactions energy: -606.030 where: short stacking energy: -249.392 Base-Backbone interact. energy: -1.010 local terms energy: -283.993281 where: bonds (distance) C4'-P energy: -56.094 bonds (distance) P-C4' energy: -58.612 flat angles C4'-P-C4' energy: -60.209 flat angles P-C4'-P energy: -37.682 tors. eta vs tors. theta energy: -71.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -840.869927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.869927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.869927 (E_RNA) where: Base-Base interactions energy: -566.104 where: short stacking energy: -246.238 Base-Backbone interact. energy: -1.199 local terms energy: -273.567054 where: bonds (distance) C4'-P energy: -59.081 bonds (distance) P-C4' energy: -55.828 flat angles C4'-P-C4' energy: -65.034 flat angles P-C4'-P energy: -33.895 tors. eta vs tors. theta energy: -59.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -640.802056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.802056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.802056 (E_RNA) where: Base-Base interactions energy: -395.999 where: short stacking energy: -165.887 Base-Backbone interact. energy: 1.833 local terms energy: -246.636017 where: bonds (distance) C4'-P energy: -55.160 bonds (distance) P-C4' energy: -69.572 flat angles C4'-P-C4' energy: -42.768 flat angles P-C4'-P energy: -43.955 tors. eta vs tors. theta energy: -35.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -590.131818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.131818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.131818 (E_RNA) where: Base-Base interactions energy: -358.772 where: short stacking energy: -169.366 Base-Backbone interact. energy: 0.079 local terms energy: -231.438441 where: bonds (distance) C4'-P energy: -57.069 bonds (distance) P-C4' energy: -54.867 flat angles C4'-P-C4' energy: -53.181 flat angles P-C4'-P energy: -43.070 tors. eta vs tors. theta energy: -23.251 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: 2 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -418.175260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.175260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.175260 (E_RNA) where: Base-Base interactions energy: -223.096 where: short stacking energy: -121.541 Base-Backbone interact. energy: -1.505 local terms energy: -193.575026 where: bonds (distance) C4'-P energy: -57.672 bonds (distance) P-C4' energy: -50.335 flat angles C4'-P-C4' energy: -43.592 flat angles P-C4'-P energy: -23.341 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: 1, replica: 8 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1187.166715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.166715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.166715 (E_RNA) where: Base-Base interactions energy: -825.066 where: short stacking energy: -360.921 Base-Backbone interact. energy: -0.535 local terms energy: -361.565129 where: bonds (distance) C4'-P energy: -60.281 bonds (distance) P-C4' energy: -71.338 flat angles C4'-P-C4' energy: -75.232 flat angles P-C4'-P energy: -50.631 tors. eta vs tors. theta energy: -104.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1128.293561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.293561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.293561 (E_RNA) where: Base-Base interactions energy: -792.548 where: short stacking energy: -341.249 Base-Backbone interact. energy: -1.696 local terms energy: -334.049229 where: bonds (distance) C4'-P energy: -53.126 bonds (distance) P-C4' energy: -71.334 flat angles C4'-P-C4' energy: -69.040 flat angles P-C4'-P energy: -42.513 tors. eta vs tors. theta energy: -98.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1082.966793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.966793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.966793 (E_RNA) where: Base-Base interactions energy: -734.908 where: short stacking energy: -331.188 Base-Backbone interact. energy: -2.092 local terms energy: -345.966682 where: bonds (distance) C4'-P energy: -65.069 bonds (distance) P-C4' energy: -65.620 flat angles C4'-P-C4' energy: -66.042 flat angles P-C4'-P energy: -49.778 tors. eta vs tors. theta energy: -99.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1039.893104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.893104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.893104 (E_RNA) where: Base-Base interactions energy: -713.870 where: short stacking energy: -304.743 Base-Backbone interact. energy: -1.220 local terms energy: -324.803026 where: bonds (distance) C4'-P energy: -66.411 bonds (distance) P-C4' energy: -65.683 flat angles C4'-P-C4' energy: -54.783 flat angles P-C4'-P energy: -52.885 tors. eta vs tors. theta energy: -85.041 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: 9 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -962.358846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.358846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.358846 (E_RNA) where: Base-Base interactions energy: -657.541 where: short stacking energy: -270.071 Base-Backbone interact. energy: -0.505 local terms energy: -304.312247 where: bonds (distance) C4'-P energy: -61.445 bonds (distance) P-C4' energy: -55.150 flat angles C4'-P-C4' energy: -70.018 flat angles P-C4'-P energy: -42.170 tors. eta vs tors. theta energy: -75.530 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: 6, replica: 1 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -933.729507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.729507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.729507 (E_RNA) where: Base-Base interactions energy: -645.386 where: short stacking energy: -282.597 Base-Backbone interact. energy: -0.626 local terms energy: -287.717177 where: bonds (distance) C4'-P energy: -47.929 bonds (distance) P-C4' energy: -72.902 flat angles C4'-P-C4' energy: -62.568 flat angles P-C4'-P energy: -34.881 tors. eta vs tors. theta energy: -69.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -845.535820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.535820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.535820 (E_RNA) where: Base-Base interactions energy: -580.312 where: short stacking energy: -255.108 Base-Backbone interact. energy: -0.874 local terms energy: -264.349676 where: bonds (distance) C4'-P energy: -51.540 bonds (distance) P-C4' energy: -56.701 flat angles C4'-P-C4' energy: -54.300 flat angles P-C4'-P energy: -37.403 tors. eta vs tors. theta energy: -64.406 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: 5 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -609.887304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.887304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.887304 (E_RNA) where: Base-Base interactions energy: -394.701 where: short stacking energy: -179.399 Base-Backbone interact. energy: -0.863 local terms energy: -214.323255 where: bonds (distance) C4'-P energy: -39.369 bonds (distance) P-C4' energy: -63.227 flat angles C4'-P-C4' energy: -52.191 flat angles P-C4'-P energy: -19.996 tors. eta vs tors. theta energy: -39.541 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: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -601.056405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.056405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.056405 (E_RNA) where: Base-Base interactions energy: -377.114 where: short stacking energy: -164.604 Base-Backbone interact. energy: -0.010 local terms energy: -223.932129 where: bonds (distance) C4'-P energy: -50.344 bonds (distance) P-C4' energy: -66.428 flat angles C4'-P-C4' energy: -49.726 flat angles P-C4'-P energy: -26.361 tors. eta vs tors. theta energy: -31.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -404.494432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.494432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.494432 (E_RNA) where: Base-Base interactions energy: -219.128 where: short stacking energy: -114.331 Base-Backbone interact. energy: 1.168 local terms energy: -186.534345 where: bonds (distance) C4'-P energy: -48.795 bonds (distance) P-C4' energy: -65.489 flat angles C4'-P-C4' energy: -34.746 flat angles P-C4'-P energy: -33.766 tors. eta vs tors. theta energy: -3.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1144.346930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.346930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.346930 (E_RNA) where: Base-Base interactions energy: -786.142 where: short stacking energy: -340.372 Base-Backbone interact. energy: -0.243 local terms energy: -357.962284 where: bonds (distance) C4'-P energy: -61.043 bonds (distance) P-C4' energy: -70.732 flat angles C4'-P-C4' energy: -70.938 flat angles P-C4'-P energy: -49.765 tors. eta vs tors. theta energy: -105.484 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: 10 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1126.903902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.903902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.903902 (E_RNA) where: Base-Base interactions energy: -778.962 where: short stacking energy: -322.268 Base-Backbone interact. energy: -0.863 local terms energy: -347.078775 where: bonds (distance) C4'-P energy: -64.086 bonds (distance) P-C4' energy: -66.863 flat angles C4'-P-C4' energy: -68.094 flat angles P-C4'-P energy: -53.057 tors. eta vs tors. theta energy: -94.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1104.600687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.600687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.600687 (E_RNA) where: Base-Base interactions energy: -755.639 where: short stacking energy: -336.916 Base-Backbone interact. energy: 0.250 local terms energy: -349.211500 where: bonds (distance) C4'-P energy: -61.283 bonds (distance) P-C4' energy: -71.912 flat angles C4'-P-C4' energy: -69.204 flat angles P-C4'-P energy: -51.135 tors. eta vs tors. theta energy: -95.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1038.542121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.542121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.542121 (E_RNA) where: Base-Base interactions energy: -705.421 where: short stacking energy: -303.913 Base-Backbone interact. energy: -2.641 local terms energy: -330.480168 where: bonds (distance) C4'-P energy: -56.761 bonds (distance) P-C4' energy: -67.260 flat angles C4'-P-C4' energy: -69.982 flat angles P-C4'-P energy: -50.192 tors. eta vs tors. theta energy: -86.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -945.560038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.560038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.560038 (E_RNA) where: Base-Base interactions energy: -637.992 where: short stacking energy: -279.083 Base-Backbone interact. energy: -0.964 local terms energy: -306.603906 where: bonds (distance) C4'-P energy: -55.287 bonds (distance) P-C4' energy: -55.717 flat angles C4'-P-C4' energy: -69.544 flat angles P-C4'-P energy: -52.004 tors. eta vs tors. theta energy: -74.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -925.730079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.730079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.730079 (E_RNA) where: Base-Base interactions energy: -629.578 where: short stacking energy: -292.908 Base-Backbone interact. energy: -1.092 local terms energy: -295.060238 where: bonds (distance) C4'-P energy: -58.572 bonds (distance) P-C4' energy: -52.722 flat angles C4'-P-C4' energy: -69.033 flat angles P-C4'-P energy: -36.936 tors. eta vs tors. theta energy: -77.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -845.763269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.763269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.763269 (E_RNA) where: Base-Base interactions energy: -548.424 where: short stacking energy: -238.506 Base-Backbone interact. energy: -4.184 local terms energy: -293.155137 where: bonds (distance) C4'-P energy: -64.482 bonds (distance) P-C4' energy: -61.634 flat angles C4'-P-C4' energy: -62.681 flat angles P-C4'-P energy: -44.785 tors. eta vs tors. theta energy: -59.573 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: 5 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -612.459579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.459579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.459579 (E_RNA) where: Base-Base interactions energy: -381.329 where: short stacking energy: -191.061 Base-Backbone interact. energy: -1.244 local terms energy: -229.886683 where: bonds (distance) C4'-P energy: -52.138 bonds (distance) P-C4' energy: -47.651 flat angles C4'-P-C4' energy: -46.775 flat angles P-C4'-P energy: -45.424 tors. eta vs tors. theta energy: -37.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -639.605438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.605438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.605438 (E_RNA) where: Base-Base interactions energy: -415.347 where: short stacking energy: -184.551 Base-Backbone interact. energy: 1.392 local terms energy: -225.650789 where: bonds (distance) C4'-P energy: -46.483 bonds (distance) P-C4' energy: -61.250 flat angles C4'-P-C4' energy: -47.142 flat angles P-C4'-P energy: -31.094 tors. eta vs tors. theta energy: -39.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -413.478100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.478100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.478100 (E_RNA) where: Base-Base interactions energy: -219.988 where: short stacking energy: -120.521 Base-Backbone interact. energy: 1.359 local terms energy: -194.849226 where: bonds (distance) C4'-P energy: -49.800 bonds (distance) P-C4' energy: -44.509 flat angles C4'-P-C4' energy: -48.919 flat angles P-C4'-P energy: -31.538 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: 1, replica: 8 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1189.173795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.173795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.173795 (E_RNA) where: Base-Base interactions energy: -837.560 where: short stacking energy: -339.987 Base-Backbone interact. energy: 0.119 local terms energy: -351.732803 where: bonds (distance) C4'-P energy: -59.095 bonds (distance) P-C4' energy: -68.679 flat angles C4'-P-C4' energy: -76.106 flat angles P-C4'-P energy: -53.639 tors. eta vs tors. theta energy: -94.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1137.912171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.912171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.912171 (E_RNA) where: Base-Base interactions energy: -795.598 where: short stacking energy: -334.063 Base-Backbone interact. energy: 0.296 local terms energy: -342.609883 where: bonds (distance) C4'-P energy: -68.891 bonds (distance) P-C4' energy: -57.611 flat angles C4'-P-C4' energy: -68.796 flat angles P-C4'-P energy: -50.380 tors. eta vs tors. theta energy: -96.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1083.693952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.693952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.693952 (E_RNA) where: Base-Base interactions energy: -745.886 where: short stacking energy: -333.059 Base-Backbone interact. energy: 3.011 local terms energy: -340.819077 where: bonds (distance) C4'-P energy: -55.271 bonds (distance) P-C4' energy: -65.792 flat angles C4'-P-C4' energy: -72.157 flat angles P-C4'-P energy: -47.940 tors. eta vs tors. theta energy: -99.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1010.361244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.361244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.361244 (E_RNA) where: Base-Base interactions energy: -690.928 where: short stacking energy: -301.142 Base-Backbone interact. energy: -2.083 local terms energy: -317.350474 where: bonds (distance) C4'-P energy: -58.561 bonds (distance) P-C4' energy: -63.404 flat angles C4'-P-C4' energy: -65.032 flat angles P-C4'-P energy: -43.668 tors. eta vs tors. theta energy: -86.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -938.400285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.400285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.400285 (E_RNA) where: Base-Base interactions energy: -641.793 where: short stacking energy: -276.668 Base-Backbone interact. energy: 2.297 local terms energy: -298.904154 where: bonds (distance) C4'-P energy: -53.162 bonds (distance) P-C4' energy: -61.582 flat angles C4'-P-C4' energy: -54.864 flat angles P-C4'-P energy: -47.555 tors. eta vs tors. theta energy: -81.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -915.811169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.811169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.811169 (E_RNA) where: Base-Base interactions energy: -639.196 where: short stacking energy: -282.018 Base-Backbone interact. energy: 0.069 local terms energy: -276.685034 where: bonds (distance) C4'-P energy: -47.721 bonds (distance) P-C4' energy: -55.483 flat angles C4'-P-C4' energy: -64.138 flat angles P-C4'-P energy: -36.606 tors. eta vs tors. theta energy: -72.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -840.579397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.579397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.579397 (E_RNA) where: Base-Base interactions energy: -530.989 where: short stacking energy: -233.842 Base-Backbone interact. energy: -1.136 local terms energy: -308.453735 where: bonds (distance) C4'-P energy: -65.829 bonds (distance) P-C4' energy: -56.560 flat angles C4'-P-C4' energy: -68.794 flat angles P-C4'-P energy: -51.916 tors. eta vs tors. theta energy: -65.355 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: 5 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -613.012625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.012625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.012625 (E_RNA) where: Base-Base interactions energy: -384.874 where: short stacking energy: -174.693 Base-Backbone interact. energy: -2.158 local terms energy: -225.980871 where: bonds (distance) C4'-P energy: -51.831 bonds (distance) P-C4' energy: -52.105 flat angles C4'-P-C4' energy: -52.371 flat angles P-C4'-P energy: -40.782 tors. eta vs tors. theta energy: -28.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -561.413004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.413004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.413004 (E_RNA) where: Base-Base interactions energy: -334.430 where: short stacking energy: -182.778 Base-Backbone interact. energy: -0.398 local terms energy: -226.585136 where: bonds (distance) C4'-P energy: -58.121 bonds (distance) P-C4' energy: -64.540 flat angles C4'-P-C4' energy: -51.494 flat angles P-C4'-P energy: -29.677 tors. eta vs tors. theta energy: -22.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -404.363303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.363303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.363303 (E_RNA) where: Base-Base interactions energy: -222.690 where: short stacking energy: -122.847 Base-Backbone interact. energy: 1.474 local terms energy: -183.146911 where: bonds (distance) C4'-P energy: -47.446 bonds (distance) P-C4' energy: -59.292 flat angles C4'-P-C4' energy: -46.518 flat angles P-C4'-P energy: -30.670 tors. eta vs tors. theta energy: 0.780 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: 8 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1177.200281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.200281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.200281 (E_RNA) where: Base-Base interactions energy: -823.271 where: short stacking energy: -342.554 Base-Backbone interact. energy: -1.663 local terms energy: -352.266079 where: bonds (distance) C4'-P energy: -65.612 bonds (distance) P-C4' energy: -70.780 flat angles C4'-P-C4' energy: -69.862 flat angles P-C4'-P energy: -50.926 tors. eta vs tors. theta energy: -95.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1117.712815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.712815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.712815 (E_RNA) where: Base-Base interactions energy: -777.100 where: short stacking energy: -317.957 Base-Backbone interact. energy: 1.662 local terms energy: -342.275314 where: bonds (distance) C4'-P energy: -62.612 bonds (distance) P-C4' energy: -64.191 flat angles C4'-P-C4' energy: -72.993 flat angles P-C4'-P energy: -48.111 tors. eta vs tors. theta energy: -94.368 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: 6 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1034.063524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.063524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.063524 (E_RNA) where: Base-Base interactions energy: -703.962 where: short stacking energy: -314.703 Base-Backbone interact. energy: -0.210 local terms energy: -329.891395 where: bonds (distance) C4'-P energy: -61.940 bonds (distance) P-C4' energy: -67.385 flat angles C4'-P-C4' energy: -69.070 flat angles P-C4'-P energy: -44.278 tors. eta vs tors. theta energy: -87.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1070.708148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.708148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.708148 (E_RNA) where: Base-Base interactions energy: -733.333 where: short stacking energy: -334.180 Base-Backbone interact. energy: -0.762 local terms energy: -336.613193 where: bonds (distance) C4'-P energy: -67.925 bonds (distance) P-C4' energy: -52.817 flat angles C4'-P-C4' energy: -60.480 flat angles P-C4'-P energy: -56.260 tors. eta vs tors. theta energy: -99.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -952.400513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.400513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.400513 (E_RNA) where: Base-Base interactions energy: -668.014 where: short stacking energy: -271.547 Base-Backbone interact. energy: -1.617 local terms energy: -282.769423 where: bonds (distance) C4'-P energy: -52.348 bonds (distance) P-C4' energy: -59.224 flat angles C4'-P-C4' energy: -56.860 flat angles P-C4'-P energy: -40.346 tors. eta vs tors. theta energy: -73.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -868.624011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.624011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.624011 (E_RNA) where: Base-Base interactions energy: -589.352 where: short stacking energy: -257.922 Base-Backbone interact. energy: -1.181 local terms energy: -278.091625 where: bonds (distance) C4'-P energy: -53.192 bonds (distance) P-C4' energy: -60.381 flat angles C4'-P-C4' energy: -57.067 flat angles P-C4'-P energy: -39.900 tors. eta vs tors. theta energy: -67.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -845.373173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.373173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.373173 (E_RNA) where: Base-Base interactions energy: -559.401 where: short stacking energy: -245.651 Base-Backbone interact. energy: 3.160 local terms energy: -289.131285 where: bonds (distance) C4'-P energy: -53.650 bonds (distance) P-C4' energy: -60.106 flat angles C4'-P-C4' energy: -63.637 flat angles P-C4'-P energy: -44.386 tors. eta vs tors. theta energy: -67.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -600.362609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.362609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.362609 (E_RNA) where: Base-Base interactions energy: -373.116 where: short stacking energy: -175.373 Base-Backbone interact. energy: 2.076 local terms energy: -229.322028 where: bonds (distance) C4'-P energy: -46.639 bonds (distance) P-C4' energy: -55.373 flat angles C4'-P-C4' energy: -52.043 flat angles P-C4'-P energy: -38.786 tors. eta vs tors. theta energy: -36.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -582.171042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.171042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.171042 (E_RNA) where: Base-Base interactions energy: -349.695 where: short stacking energy: -157.414 Base-Backbone interact. energy: -1.673 local terms energy: -230.802841 where: bonds (distance) C4'-P energy: -61.178 bonds (distance) P-C4' energy: -65.542 flat angles C4'-P-C4' energy: -52.987 flat angles P-C4'-P energy: -36.076 tors. eta vs tors. theta energy: -15.020 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: 2 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -439.999049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.999049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.999049 (E_RNA) where: Base-Base interactions energy: -229.508 where: short stacking energy: -111.088 Base-Backbone interact. energy: 4.614 local terms energy: -215.105047 where: bonds (distance) C4'-P energy: -50.833 bonds (distance) P-C4' energy: -68.122 flat angles C4'-P-C4' energy: -44.238 flat angles P-C4'-P energy: -36.052 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: 1, replica: 8 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1170.594857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.594857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.594857 (E_RNA) where: Base-Base interactions energy: -811.377 where: short stacking energy: -345.981 Base-Backbone interact. energy: -1.348 local terms energy: -357.870407 where: bonds (distance) C4'-P energy: -66.135 bonds (distance) P-C4' energy: -69.923 flat angles C4'-P-C4' energy: -72.126 flat angles P-C4'-P energy: -45.237 tors. eta vs tors. theta energy: -104.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1137.312566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.312566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.312566 (E_RNA) where: Base-Base interactions energy: -790.339 where: short stacking energy: -333.449 Base-Backbone interact. energy: -0.814 local terms energy: -346.160082 where: bonds (distance) C4'-P energy: -64.651 bonds (distance) P-C4' energy: -66.753 flat angles C4'-P-C4' energy: -71.214 flat angles P-C4'-P energy: -51.232 tors. eta vs tors. theta energy: -92.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1041.002182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.002182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.002182 (E_RNA) where: Base-Base interactions energy: -695.065 where: short stacking energy: -303.894 Base-Backbone interact. energy: -1.220 local terms energy: -344.716634 where: bonds (distance) C4'-P energy: -72.298 bonds (distance) P-C4' energy: -63.958 flat angles C4'-P-C4' energy: -69.964 flat angles P-C4'-P energy: -42.676 tors. eta vs tors. theta energy: -95.820 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: 3 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1024.132956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.132956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.132956 (E_RNA) where: Base-Base interactions energy: -705.190 where: short stacking energy: -321.579 Base-Backbone interact. energy: -0.692 local terms energy: -318.251614 where: bonds (distance) C4'-P energy: -55.685 bonds (distance) P-C4' energy: -56.804 flat angles C4'-P-C4' energy: -69.685 flat angles P-C4'-P energy: -46.918 tors. eta vs tors. theta energy: -89.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -958.824236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.824236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.824236 (E_RNA) where: Base-Base interactions energy: -672.084 where: short stacking energy: -285.247 Base-Backbone interact. energy: -1.918 local terms energy: -284.822316 where: bonds (distance) C4'-P energy: -45.696 bonds (distance) P-C4' energy: -53.676 flat angles C4'-P-C4' energy: -67.185 flat angles P-C4'-P energy: -43.029 tors. eta vs tors. theta energy: -75.236 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: 1 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -893.596075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.596075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.596075 (E_RNA) where: Base-Base interactions energy: -610.358 where: short stacking energy: -264.907 Base-Backbone interact. energy: -1.792 local terms energy: -281.446577 where: bonds (distance) C4'-P energy: -58.052 bonds (distance) P-C4' energy: -59.686 flat angles C4'-P-C4' energy: -64.018 flat angles P-C4'-P energy: -37.783 tors. eta vs tors. theta energy: -61.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -839.483724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.483724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.483724 (E_RNA) where: Base-Base interactions energy: -555.211 where: short stacking energy: -240.298 Base-Backbone interact. energy: -2.272 local terms energy: -282.000812 where: bonds (distance) C4'-P energy: -64.997 bonds (distance) P-C4' energy: -60.207 flat angles C4'-P-C4' energy: -56.556 flat angles P-C4'-P energy: -39.659 tors. eta vs tors. theta energy: -60.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -595.213561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.213561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.213561 (E_RNA) where: Base-Base interactions energy: -367.986 where: short stacking energy: -163.185 Base-Backbone interact. energy: -0.320 local terms energy: -226.908320 where: bonds (distance) C4'-P energy: -51.841 bonds (distance) P-C4' energy: -52.488 flat angles C4'-P-C4' energy: -63.990 flat angles P-C4'-P energy: -32.944 tors. eta vs tors. theta energy: -25.644 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: 7 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -639.654583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.654583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.654583 (E_RNA) where: Base-Base interactions energy: -419.513 where: short stacking energy: -188.396 Base-Backbone interact. energy: 0.786 local terms energy: -220.927302 where: bonds (distance) C4'-P energy: -50.489 bonds (distance) P-C4' energy: -49.670 flat angles C4'-P-C4' energy: -53.882 flat angles P-C4'-P energy: -37.413 tors. eta vs tors. theta energy: -29.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -437.987416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.987416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.987416 (E_RNA) where: Base-Base interactions energy: -249.340 where: short stacking energy: -141.009 Base-Backbone interact. energy: -0.495 local terms energy: -188.152696 where: bonds (distance) C4'-P energy: -53.582 bonds (distance) P-C4' energy: -67.159 flat angles C4'-P-C4' energy: -39.471 flat angles P-C4'-P energy: -14.415 tors. eta vs tors. theta energy: -13.526 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: 8 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1186.211590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.211590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.211590 (E_RNA) where: Base-Base interactions energy: -828.484 where: short stacking energy: -334.884 Base-Backbone interact. energy: -3.188 local terms energy: -354.539720 where: bonds (distance) C4'-P energy: -66.472 bonds (distance) P-C4' energy: -68.414 flat angles C4'-P-C4' energy: -71.529 flat angles P-C4'-P energy: -50.500 tors. eta vs tors. theta energy: -97.625 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: 2, replica: 10 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1138.366411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.366411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.366411 (E_RNA) where: Base-Base interactions energy: -790.477 where: short stacking energy: -324.350 Base-Backbone interact. energy: -1.836 local terms energy: -346.052683 where: bonds (distance) C4'-P energy: -48.794 bonds (distance) P-C4' energy: -63.332 flat angles C4'-P-C4' energy: -81.350 flat angles P-C4'-P energy: -51.979 tors. eta vs tors. theta energy: -100.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1043.564261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.564261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.564261 (E_RNA) where: Base-Base interactions energy: -705.407 where: short stacking energy: -320.745 Base-Backbone interact. energy: -1.619 local terms energy: -336.537442 where: bonds (distance) C4'-P energy: -61.008 bonds (distance) P-C4' energy: -62.877 flat angles C4'-P-C4' energy: -76.673 flat angles P-C4'-P energy: -46.644 tors. eta vs tors. theta energy: -89.335 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: 6 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1023.273870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.273870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.273870 (E_RNA) where: Base-Base interactions energy: -715.406 where: short stacking energy: -297.546 Base-Backbone interact. energy: -1.793 local terms energy: -306.075704 where: bonds (distance) C4'-P energy: -61.412 bonds (distance) P-C4' energy: -56.117 flat angles C4'-P-C4' energy: -60.118 flat angles P-C4'-P energy: -38.885 tors. eta vs tors. theta energy: -89.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -978.605904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.605904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.605904 (E_RNA) where: Base-Base interactions energy: -672.028 where: short stacking energy: -286.527 Base-Backbone interact. energy: -0.947 local terms energy: -305.630378 where: bonds (distance) C4'-P energy: -56.726 bonds (distance) P-C4' energy: -54.178 flat angles C4'-P-C4' energy: -67.198 flat angles P-C4'-P energy: -42.657 tors. eta vs tors. theta energy: -84.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -890.972460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.972460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.972460 (E_RNA) where: Base-Base interactions energy: -592.056 where: short stacking energy: -244.390 Base-Backbone interact. energy: -1.862 local terms energy: -297.053979 where: bonds (distance) C4'-P energy: -56.433 bonds (distance) P-C4' energy: -53.296 flat angles C4'-P-C4' energy: -76.962 flat angles P-C4'-P energy: -44.571 tors. eta vs tors. theta energy: -65.791 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: 4 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -837.969971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.969971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.969971 (E_RNA) where: Base-Base interactions energy: -553.122 where: short stacking energy: -229.345 Base-Backbone interact. energy: -0.272 local terms energy: -284.575489 where: bonds (distance) C4'-P energy: -60.217 bonds (distance) P-C4' energy: -54.344 flat angles C4'-P-C4' energy: -60.465 flat angles P-C4'-P energy: -47.936 tors. eta vs tors. theta energy: -61.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -597.740400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.740400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.740400 (E_RNA) where: Base-Base interactions energy: -363.167 where: short stacking energy: -157.451 Base-Backbone interact. energy: -0.774 local terms energy: -233.799238 where: bonds (distance) C4'-P energy: -57.656 bonds (distance) P-C4' energy: -67.919 flat angles C4'-P-C4' energy: -53.491 flat angles P-C4'-P energy: -33.216 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: 9, replica: 7 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -608.260217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.260217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.260217 (E_RNA) where: Base-Base interactions energy: -395.437 where: short stacking energy: -166.253 Base-Backbone interact. energy: -1.837 local terms energy: -210.986023 where: bonds (distance) C4'-P energy: -51.644 bonds (distance) P-C4' energy: -60.751 flat angles C4'-P-C4' energy: -45.575 flat angles P-C4'-P energy: -26.462 tors. eta vs tors. theta energy: -26.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -428.708044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.708044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.708044 (E_RNA) where: Base-Base interactions energy: -237.830 where: short stacking energy: -141.927 Base-Backbone interact. energy: -0.893 local terms energy: -189.984783 where: bonds (distance) C4'-P energy: -44.878 bonds (distance) P-C4' energy: -40.012 flat angles C4'-P-C4' energy: -55.598 flat angles P-C4'-P energy: -33.718 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: 1, replica: 8 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1169.700169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.700169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.700169 (E_RNA) where: Base-Base interactions energy: -823.739 where: short stacking energy: -354.012 Base-Backbone interact. energy: -1.015 local terms energy: -344.945789 where: bonds (distance) C4'-P energy: -63.020 bonds (distance) P-C4' energy: -63.013 flat angles C4'-P-C4' energy: -67.526 flat angles P-C4'-P energy: -48.627 tors. eta vs tors. theta energy: -102.759 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: 10 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1156.028452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.028452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.028452 (E_RNA) where: Base-Base interactions energy: -799.930 where: short stacking energy: -324.194 Base-Backbone interact. energy: -1.962 local terms energy: -354.136286 where: bonds (distance) C4'-P energy: -65.633 bonds (distance) P-C4' energy: -64.200 flat angles C4'-P-C4' energy: -70.046 flat angles P-C4'-P energy: -54.232 tors. eta vs tors. theta energy: -100.026 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: 3 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1043.415300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.415300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.415300 (E_RNA) where: Base-Base interactions energy: -697.628 where: short stacking energy: -321.783 Base-Backbone interact. energy: -0.817 local terms energy: -344.969988 where: bonds (distance) C4'-P energy: -67.023 bonds (distance) P-C4' energy: -57.970 flat angles C4'-P-C4' energy: -67.352 flat angles P-C4'-P energy: -54.028 tors. eta vs tors. theta energy: -98.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1029.141392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.141392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.141392 (E_RNA) where: Base-Base interactions energy: -702.824 where: short stacking energy: -296.414 Base-Backbone interact. energy: -1.342 local terms energy: -324.975464 where: bonds (distance) C4'-P energy: -55.589 bonds (distance) P-C4' energy: -62.882 flat angles C4'-P-C4' energy: -69.498 flat angles P-C4'-P energy: -49.895 tors. eta vs tors. theta energy: -87.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -996.872497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.872497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.872497 (E_RNA) where: Base-Base interactions energy: -674.430 where: short stacking energy: -283.360 Base-Backbone interact. energy: -0.738 local terms energy: -321.705041 where: bonds (distance) C4'-P energy: -60.853 bonds (distance) P-C4' energy: -67.302 flat angles C4'-P-C4' energy: -75.137 flat angles P-C4'-P energy: -37.363 tors. eta vs tors. theta energy: -81.050 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: 279 Temperature: 1.150000 Total energy: -866.557614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.557614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.557614 (E_RNA) where: Base-Base interactions energy: -591.173 where: short stacking energy: -255.895 Base-Backbone interact. energy: -2.406 local terms energy: -272.979285 where: bonds (distance) C4'-P energy: -54.154 bonds (distance) P-C4' energy: -52.872 flat angles C4'-P-C4' energy: -60.154 flat angles P-C4'-P energy: -43.511 tors. eta vs tors. theta energy: -62.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -813.517199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.517199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.517199 (E_RNA) where: Base-Base interactions energy: -543.737 where: short stacking energy: -225.989 Base-Backbone interact. energy: 2.009 local terms energy: -271.789241 where: bonds (distance) C4'-P energy: -63.547 bonds (distance) P-C4' energy: -61.541 flat angles C4'-P-C4' energy: -56.829 flat angles P-C4'-P energy: -37.678 tors. eta vs tors. theta energy: -52.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -599.847537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.847537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.847537 (E_RNA) where: Base-Base interactions energy: -371.742 where: short stacking energy: -186.617 Base-Backbone interact. energy: -1.642 local terms energy: -226.463866 where: bonds (distance) C4'-P energy: -51.075 bonds (distance) P-C4' energy: -44.700 flat angles C4'-P-C4' energy: -60.776 flat angles P-C4'-P energy: -36.768 tors. eta vs tors. theta energy: -33.145 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: 279 Temperature: 1.300000 Total energy: -539.137188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.137188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.137188 (E_RNA) where: Base-Base interactions energy: -347.787 where: short stacking energy: -157.579 Base-Backbone interact. energy: 0.437 local terms energy: -191.786544 where: bonds (distance) C4'-P energy: -43.431 bonds (distance) P-C4' energy: -52.410 flat angles C4'-P-C4' energy: -50.218 flat angles P-C4'-P energy: -28.144 tors. eta vs tors. theta energy: -17.583 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: 2 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -485.230123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.230123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.230123 (E_RNA) where: Base-Base interactions energy: -295.211 where: short stacking energy: -147.055 Base-Backbone interact. energy: 0.180 local terms energy: -190.199269 where: bonds (distance) C4'-P energy: -52.006 bonds (distance) P-C4' energy: -57.955 flat angles C4'-P-C4' energy: -51.972 flat angles P-C4'-P energy: -22.891 tors. eta vs tors. theta energy: -5.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1197.149476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.149476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.149476 (E_RNA) where: Base-Base interactions energy: -826.171 where: short stacking energy: -363.079 Base-Backbone interact. energy: -1.000 local terms energy: -369.978496 where: bonds (distance) C4'-P energy: -67.417 bonds (distance) P-C4' energy: -58.562 flat angles C4'-P-C4' energy: -76.204 flat angles P-C4'-P energy: -56.979 tors. eta vs tors. theta energy: -110.817 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: 10 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1142.734429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.734429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.734429 (E_RNA) where: Base-Base interactions energy: -795.411 where: short stacking energy: -327.888 Base-Backbone interact. energy: -0.819 local terms energy: -346.504458 where: bonds (distance) C4'-P energy: -62.651 bonds (distance) P-C4' energy: -70.494 flat angles C4'-P-C4' energy: -68.259 flat angles P-C4'-P energy: -51.041 tors. eta vs tors. theta energy: -94.059 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: 3 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1057.633244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.633244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.633244 (E_RNA) where: Base-Base interactions energy: -727.813 where: short stacking energy: -337.429 Base-Backbone interact. energy: -1.849 local terms energy: -327.970591 where: bonds (distance) C4'-P energy: -62.348 bonds (distance) P-C4' energy: -50.965 flat angles C4'-P-C4' energy: -69.586 flat angles P-C4'-P energy: -42.278 tors. eta vs tors. theta energy: -102.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1020.903244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.903244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.903244 (E_RNA) where: Base-Base interactions energy: -679.472 where: short stacking energy: -276.446 Base-Backbone interact. energy: -1.503 local terms energy: -339.927862 where: bonds (distance) C4'-P energy: -66.202 bonds (distance) P-C4' energy: -73.263 flat angles C4'-P-C4' energy: -67.608 flat angles P-C4'-P energy: -47.327 tors. eta vs tors. theta energy: -85.528 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: 9 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -971.674338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.674338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.674338 (E_RNA) where: Base-Base interactions energy: -641.743 where: short stacking energy: -268.624 Base-Backbone interact. energy: -1.037 local terms energy: -328.893749 where: bonds (distance) C4'-P energy: -64.891 bonds (distance) P-C4' energy: -66.104 flat angles C4'-P-C4' energy: -75.186 flat angles P-C4'-P energy: -52.546 tors. eta vs tors. theta energy: -70.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -893.770614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.770614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.770614 (E_RNA) where: Base-Base interactions energy: -584.628 where: short stacking energy: -252.919 Base-Backbone interact. energy: -0.297 local terms energy: -308.845755 where: bonds (distance) C4'-P energy: -58.013 bonds (distance) P-C4' energy: -57.576 flat angles C4'-P-C4' energy: -73.611 flat angles P-C4'-P energy: -48.426 tors. eta vs tors. theta energy: -71.220 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: 280 Temperature: 1.200000 Total energy: -825.798267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.798267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.798267 (E_RNA) where: Base-Base interactions energy: -557.507 where: short stacking energy: -253.003 Base-Backbone interact. energy: 0.459 local terms energy: -268.750256 where: bonds (distance) C4'-P energy: -53.776 bonds (distance) P-C4' energy: -52.132 flat angles C4'-P-C4' energy: -63.019 flat angles P-C4'-P energy: -34.906 tors. eta vs tors. theta energy: -64.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -586.087053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.087053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.087053 (E_RNA) where: Base-Base interactions energy: -372.159 where: short stacking energy: -177.469 Base-Backbone interact. energy: 1.174 local terms energy: -215.102340 where: bonds (distance) C4'-P energy: -53.043 bonds (distance) P-C4' energy: -55.825 flat angles C4'-P-C4' energy: -53.643 flat angles P-C4'-P energy: -24.611 tors. eta vs tors. theta energy: -27.980 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: 2 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -565.493415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.493415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.493415 (E_RNA) where: Base-Base interactions energy: -354.835 where: short stacking energy: -162.818 Base-Backbone interact. energy: 0.110 local terms energy: -210.768326 where: bonds (distance) C4'-P energy: -49.862 bonds (distance) P-C4' energy: -52.119 flat angles C4'-P-C4' energy: -44.115 flat angles P-C4'-P energy: -28.533 tors. eta vs tors. theta energy: -36.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -487.703972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.703972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.703972 (E_RNA) where: Base-Base interactions energy: -289.732 where: short stacking energy: -127.893 Base-Backbone interact. energy: -2.600 local terms energy: -195.372192 where: bonds (distance) C4'-P energy: -47.605 bonds (distance) P-C4' energy: -65.385 flat angles C4'-P-C4' energy: -51.032 flat angles P-C4'-P energy: -19.950 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: 1, replica: 8 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1171.924462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.924462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.924462 (E_RNA) where: Base-Base interactions energy: -808.369 where: short stacking energy: -345.279 Base-Backbone interact. energy: -2.440 local terms energy: -361.116299 where: bonds (distance) C4'-P energy: -65.207 bonds (distance) P-C4' energy: -72.590 flat angles C4'-P-C4' energy: -77.939 flat angles P-C4'-P energy: -46.830 tors. eta vs tors. theta energy: -98.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1131.057876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.057876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.057876 (E_RNA) where: Base-Base interactions energy: -799.938 where: short stacking energy: -336.843 Base-Backbone interact. energy: 0.859 local terms energy: -331.978895 where: bonds (distance) C4'-P energy: -60.315 bonds (distance) P-C4' energy: -56.287 flat angles C4'-P-C4' energy: -67.352 flat angles P-C4'-P energy: -48.983 tors. eta vs tors. theta energy: -99.041 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: 281 Temperature: 1.000000 Total energy: -1072.624205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.624205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.624205 (E_RNA) where: Base-Base interactions energy: -748.617 where: short stacking energy: -342.603 Base-Backbone interact. energy: 2.793 local terms energy: -326.800280 where: bonds (distance) C4'-P energy: -50.160 bonds (distance) P-C4' energy: -59.485 flat angles C4'-P-C4' energy: -68.423 flat angles P-C4'-P energy: -55.813 tors. eta vs tors. theta energy: -92.920 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: 4, replica: 6 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1007.107245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.107245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.107245 (E_RNA) where: Base-Base interactions energy: -680.598 where: short stacking energy: -297.881 Base-Backbone interact. energy: -1.261 local terms energy: -325.248026 where: bonds (distance) C4'-P energy: -65.173 bonds (distance) P-C4' energy: -57.239 flat angles C4'-P-C4' energy: -71.185 flat angles P-C4'-P energy: -43.812 tors. eta vs tors. theta energy: -87.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -964.843590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.843590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.843590 (E_RNA) where: Base-Base interactions energy: -641.687 where: short stacking energy: -280.978 Base-Backbone interact. energy: -4.076 local terms energy: -319.079976 where: bonds (distance) C4'-P energy: -61.221 bonds (distance) P-C4' energy: -59.144 flat angles C4'-P-C4' energy: -77.183 flat angles P-C4'-P energy: -50.846 tors. eta vs tors. theta energy: -70.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -915.395460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.395460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.395460 (E_RNA) where: Base-Base interactions energy: -618.044 where: short stacking energy: -261.252 Base-Backbone interact. energy: -0.088 local terms energy: -297.263653 where: bonds (distance) C4'-P energy: -54.350 bonds (distance) P-C4' energy: -59.566 flat angles C4'-P-C4' energy: -68.171 flat angles P-C4'-P energy: -43.490 tors. eta vs tors. theta energy: -71.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -816.538047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.538047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.538047 (E_RNA) where: Base-Base interactions energy: -541.528 where: short stacking energy: -231.356 Base-Backbone interact. energy: -1.837 local terms energy: -273.173023 where: bonds (distance) C4'-P energy: -60.600 bonds (distance) P-C4' energy: -54.319 flat angles C4'-P-C4' energy: -63.825 flat angles P-C4'-P energy: -41.566 tors. eta vs tors. theta energy: -52.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -600.872162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.872162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.872162 (E_RNA) where: Base-Base interactions energy: -372.680 where: short stacking energy: -176.882 Base-Backbone interact. energy: -0.234 local terms energy: -227.958496 where: bonds (distance) C4'-P energy: -50.408 bonds (distance) P-C4' energy: -60.922 flat angles C4'-P-C4' energy: -53.750 flat angles P-C4'-P energy: -31.203 tors. eta vs tors. theta energy: -31.676 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: 2 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -519.313921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.313921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.313921 (E_RNA) where: Base-Base interactions energy: -323.999 where: short stacking energy: -155.045 Base-Backbone interact. energy: -1.233 local terms energy: -194.082168 where: bonds (distance) C4'-P energy: -54.633 bonds (distance) P-C4' energy: -51.356 flat angles C4'-P-C4' energy: -41.436 flat angles P-C4'-P energy: -31.776 tors. eta vs tors. theta energy: -14.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -503.615299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.615299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.615299 (E_RNA) where: Base-Base interactions energy: -308.436 where: short stacking energy: -143.855 Base-Backbone interact. energy: -0.487 local terms energy: -194.691839 where: bonds (distance) C4'-P energy: -41.863 bonds (distance) P-C4' energy: -57.753 flat angles C4'-P-C4' energy: -47.658 flat angles P-C4'-P energy: -30.904 tors. eta vs tors. theta energy: -16.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1163.785572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.785572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.785572 (E_RNA) where: Base-Base interactions energy: -815.012 where: short stacking energy: -345.118 Base-Backbone interact. energy: -0.701 local terms energy: -348.072934 where: bonds (distance) C4'-P energy: -64.468 bonds (distance) P-C4' energy: -64.942 flat angles C4'-P-C4' energy: -63.674 flat angles P-C4'-P energy: -53.747 tors. eta vs tors. theta energy: -101.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1138.486904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.486904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.486904 (E_RNA) where: Base-Base interactions energy: -808.486 where: short stacking energy: -334.471 Base-Backbone interact. energy: -1.058 local terms energy: -328.943265 where: bonds (distance) C4'-P energy: -61.610 bonds (distance) P-C4' energy: -61.882 flat angles C4'-P-C4' energy: -66.274 flat angles P-C4'-P energy: -39.892 tors. eta vs tors. theta energy: -99.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1086.523378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.523378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.523378 (E_RNA) where: Base-Base interactions energy: -732.224 where: short stacking energy: -323.461 Base-Backbone interact. energy: -1.689 local terms energy: -352.609770 where: bonds (distance) C4'-P energy: -66.917 bonds (distance) P-C4' energy: -52.181 flat angles C4'-P-C4' energy: -71.551 flat angles P-C4'-P energy: -56.482 tors. eta vs tors. theta energy: -105.479 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: 282 Temperature: 1.050000 Total energy: -1027.363887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.363887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.363887 (E_RNA) where: Base-Base interactions energy: -686.821 where: short stacking energy: -296.345 Base-Backbone interact. energy: -0.904 local terms energy: -339.638378 where: bonds (distance) C4'-P energy: -73.926 bonds (distance) P-C4' energy: -58.574 flat angles C4'-P-C4' energy: -72.774 flat angles P-C4'-P energy: -44.853 tors. eta vs tors. theta energy: -89.512 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: 9 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -977.441897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.441897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.441897 (E_RNA) where: Base-Base interactions energy: -672.589 where: short stacking energy: -291.084 Base-Backbone interact. energy: -2.288 local terms energy: -302.564874 where: bonds (distance) C4'-P energy: -52.849 bonds (distance) P-C4' energy: -54.944 flat angles C4'-P-C4' energy: -66.070 flat angles P-C4'-P energy: -51.112 tors. eta vs tors. theta energy: -77.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -863.597109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.597109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.597109 (E_RNA) where: Base-Base interactions energy: -585.304 where: short stacking energy: -252.190 Base-Backbone interact. energy: -1.241 local terms energy: -277.051693 where: bonds (distance) C4'-P energy: -52.192 bonds (distance) P-C4' energy: -52.691 flat angles C4'-P-C4' energy: -65.747 flat angles P-C4'-P energy: -39.962 tors. eta vs tors. theta energy: -66.461 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: 4 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -823.476431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.476431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.476431 (E_RNA) where: Base-Base interactions energy: -551.953 where: short stacking energy: -246.298 Base-Backbone interact. energy: -3.077 local terms energy: -268.446630 where: bonds (distance) C4'-P energy: -56.022 bonds (distance) P-C4' energy: -58.961 flat angles C4'-P-C4' energy: -52.512 flat angles P-C4'-P energy: -40.356 tors. eta vs tors. theta energy: -60.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -576.767937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.767937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.767937 (E_RNA) where: Base-Base interactions energy: -373.269 where: short stacking energy: -192.268 Base-Backbone interact. energy: 1.171 local terms energy: -204.669367 where: bonds (distance) C4'-P energy: -57.078 bonds (distance) P-C4' energy: -52.088 flat angles C4'-P-C4' energy: -43.219 flat angles P-C4'-P energy: -31.050 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: 9, replica: 7 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -574.448284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.448284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.448284 (E_RNA) where: Base-Base interactions energy: -354.644 where: short stacking energy: -157.980 Base-Backbone interact. energy: -0.982 local terms energy: -218.822227 where: bonds (distance) C4'-P energy: -58.908 bonds (distance) P-C4' energy: -54.688 flat angles C4'-P-C4' energy: -47.767 flat angles P-C4'-P energy: -33.014 tors. eta vs tors. theta energy: -24.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -468.194168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.194168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.194168 (E_RNA) where: Base-Base interactions energy: -283.731 where: short stacking energy: -128.334 Base-Backbone interact. energy: -2.369 local terms energy: -182.094144 where: bonds (distance) C4'-P energy: -41.038 bonds (distance) P-C4' energy: -61.466 flat angles C4'-P-C4' energy: -48.632 flat angles P-C4'-P energy: -20.787 tors. eta vs tors. theta energy: -10.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1185.030863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.030863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.030863 (E_RNA) where: Base-Base interactions energy: -827.110 where: short stacking energy: -373.041 Base-Backbone interact. energy: -2.019 local terms energy: -355.901984 where: bonds (distance) C4'-P energy: -63.967 bonds (distance) P-C4' energy: -66.773 flat angles C4'-P-C4' energy: -65.188 flat angles P-C4'-P energy: -52.684 tors. eta vs tors. theta energy: -107.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1132.654536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.654536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.654536 (E_RNA) where: Base-Base interactions energy: -778.343 where: short stacking energy: -346.836 Base-Backbone interact. energy: -1.092 local terms energy: -353.219542 where: bonds (distance) C4'-P energy: -58.734 bonds (distance) P-C4' energy: -55.461 flat angles C4'-P-C4' energy: -73.270 flat angles P-C4'-P energy: -59.935 tors. eta vs tors. theta energy: -105.819 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: 10 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1112.789162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.789162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.789162 (E_RNA) where: Base-Base interactions energy: -772.706 where: short stacking energy: -310.296 Base-Backbone interact. energy: -0.738 local terms energy: -339.344654 where: bonds (distance) C4'-P energy: -67.314 bonds (distance) P-C4' energy: -59.030 flat angles C4'-P-C4' energy: -72.109 flat angles P-C4'-P energy: -45.968 tors. eta vs tors. theta energy: -94.923 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: 4, replica: 6 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1027.230904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.230904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.230904 (E_RNA) where: Base-Base interactions energy: -695.243 where: short stacking energy: -293.234 Base-Backbone interact. energy: -1.955 local terms energy: -330.033170 where: bonds (distance) C4'-P energy: -53.985 bonds (distance) P-C4' energy: -71.577 flat angles C4'-P-C4' energy: -71.502 flat angles P-C4'-P energy: -41.544 tors. eta vs tors. theta energy: -91.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -968.319250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.319250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.319250 (E_RNA) where: Base-Base interactions energy: -661.940 where: short stacking energy: -279.229 Base-Backbone interact. energy: -0.402 local terms energy: -305.977232 where: bonds (distance) C4'-P energy: -58.910 bonds (distance) P-C4' energy: -63.833 flat angles C4'-P-C4' energy: -72.942 flat angles P-C4'-P energy: -38.906 tors. eta vs tors. theta energy: -71.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -881.047189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.047189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.047189 (E_RNA) where: Base-Base interactions energy: -591.758 where: short stacking energy: -276.621 Base-Backbone interact. energy: -1.147 local terms energy: -288.141856 where: bonds (distance) C4'-P energy: -53.857 bonds (distance) P-C4' energy: -70.065 flat angles C4'-P-C4' energy: -58.780 flat angles P-C4'-P energy: -38.671 tors. eta vs tors. theta energy: -66.768 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: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -824.363705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.363705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.363705 (E_RNA) where: Base-Base interactions energy: -550.058 where: short stacking energy: -243.554 Base-Backbone interact. energy: -0.387 local terms energy: -273.919104 where: bonds (distance) C4'-P energy: -47.676 bonds (distance) P-C4' energy: -48.958 flat angles C4'-P-C4' energy: -62.567 flat angles P-C4'-P energy: -47.805 tors. eta vs tors. theta energy: -66.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -570.496013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.496013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.496013 (E_RNA) where: Base-Base interactions energy: -335.267 where: short stacking energy: -162.777 Base-Backbone interact. energy: -2.180 local terms energy: -233.048404 where: bonds (distance) C4'-P energy: -33.162 bonds (distance) P-C4' energy: -68.749 flat angles C4'-P-C4' energy: -55.679 flat angles P-C4'-P energy: -37.388 tors. eta vs tors. theta energy: -38.070 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: 7 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -634.254720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.254720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.254720 (E_RNA) where: Base-Base interactions energy: -400.948 where: short stacking energy: -186.987 Base-Backbone interact. energy: 1.332 local terms energy: -234.638434 where: bonds (distance) C4'-P energy: -55.418 bonds (distance) P-C4' energy: -53.662 flat angles C4'-P-C4' energy: -51.437 flat angles P-C4'-P energy: -33.972 tors. eta vs tors. theta energy: -40.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -490.655505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.655505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.655505 (E_RNA) where: Base-Base interactions energy: -289.260 where: short stacking energy: -134.006 Base-Backbone interact. energy: -1.439 local terms energy: -199.955700 where: bonds (distance) C4'-P energy: -57.413 bonds (distance) P-C4' energy: -47.501 flat angles C4'-P-C4' energy: -63.089 flat angles P-C4'-P energy: -25.701 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: 1, replica: 8 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1170.668754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.668754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.668754 (E_RNA) where: Base-Base interactions energy: -804.142 where: short stacking energy: -357.309 Base-Backbone interact. energy: -1.458 local terms energy: -365.069564 where: bonds (distance) C4'-P energy: -67.866 bonds (distance) P-C4' energy: -69.279 flat angles C4'-P-C4' energy: -69.827 flat angles P-C4'-P energy: -49.854 tors. eta vs tors. theta energy: -108.244 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: 3 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1132.359975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.359975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.359975 (E_RNA) where: Base-Base interactions energy: -765.649 where: short stacking energy: -352.394 Base-Backbone interact. energy: -2.119 local terms energy: -364.591693 where: bonds (distance) C4'-P energy: -66.883 bonds (distance) P-C4' energy: -64.605 flat angles C4'-P-C4' energy: -71.921 flat angles P-C4'-P energy: -55.046 tors. eta vs tors. theta energy: -106.137 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: 284 Temperature: 1.000000 Total energy: -1066.775106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.775106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.775106 (E_RNA) where: Base-Base interactions energy: -734.888 where: short stacking energy: -318.604 Base-Backbone interact. energy: -0.558 local terms energy: -331.328719 where: bonds (distance) C4'-P energy: -66.321 bonds (distance) P-C4' energy: -58.740 flat angles C4'-P-C4' energy: -74.908 flat angles P-C4'-P energy: -44.742 tors. eta vs tors. theta energy: -86.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1080.846474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.846474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.846474 (E_RNA) where: Base-Base interactions energy: -776.838 where: short stacking energy: -316.203 Base-Backbone interact. energy: -1.244 local terms energy: -302.764551 where: bonds (distance) C4'-P energy: -58.839 bonds (distance) P-C4' energy: -59.253 flat angles C4'-P-C4' energy: -67.484 flat angles P-C4'-P energy: -32.495 tors. eta vs tors. theta energy: -84.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -978.143420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.143420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.143420 (E_RNA) where: Base-Base interactions energy: -658.101 where: short stacking energy: -282.112 Base-Backbone interact. energy: -1.535 local terms energy: -318.507715 where: bonds (distance) C4'-P energy: -61.067 bonds (distance) P-C4' energy: -63.775 flat angles C4'-P-C4' energy: -73.984 flat angles P-C4'-P energy: -43.343 tors. eta vs tors. theta energy: -76.338 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: 1 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -902.312367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.312367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.312367 (E_RNA) where: Base-Base interactions energy: -612.944 where: short stacking energy: -252.334 Base-Backbone interact. energy: -0.684 local terms energy: -288.684829 where: bonds (distance) C4'-P energy: -67.020 bonds (distance) P-C4' energy: -52.493 flat angles C4'-P-C4' energy: -59.394 flat angles P-C4'-P energy: -49.233 tors. eta vs tors. theta energy: -60.545 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: 284 Temperature: 1.200000 Total energy: -836.448473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.448473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.448473 (E_RNA) where: Base-Base interactions energy: -551.927 where: short stacking energy: -250.680 Base-Backbone interact. energy: 2.129 local terms energy: -286.650227 where: bonds (distance) C4'-P energy: -53.572 bonds (distance) P-C4' energy: -51.163 flat angles C4'-P-C4' energy: -62.833 flat angles P-C4'-P energy: -49.392 tors. eta vs tors. theta energy: -69.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -600.151732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.151732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.151732 (E_RNA) where: Base-Base interactions energy: -372.944 where: short stacking energy: -164.904 Base-Backbone interact. energy: -0.470 local terms energy: -226.738083 where: bonds (distance) C4'-P energy: -50.349 bonds (distance) P-C4' energy: -64.771 flat angles C4'-P-C4' energy: -59.469 flat angles P-C4'-P energy: -32.750 tors. eta vs tors. theta energy: -19.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -563.653678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.653678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.653678 (E_RNA) where: Base-Base interactions energy: -358.118 where: short stacking energy: -166.562 Base-Backbone interact. energy: 2.178 local terms energy: -207.714290 where: bonds (distance) C4'-P energy: -49.187 bonds (distance) P-C4' energy: -58.136 flat angles C4'-P-C4' energy: -49.265 flat angles P-C4'-P energy: -25.311 tors. eta vs tors. theta energy: -25.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -577.802537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.802537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.802537 (E_RNA) where: Base-Base interactions energy: -361.462 where: short stacking energy: -161.258 Base-Backbone interact. energy: -0.908 local terms energy: -215.433152 where: bonds (distance) C4'-P energy: -48.663 bonds (distance) P-C4' energy: -52.379 flat angles C4'-P-C4' energy: -49.997 flat angles P-C4'-P energy: -30.828 tors. eta vs tors. theta energy: -33.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1157.011382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.011382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.011382 (E_RNA) where: Base-Base interactions energy: -795.223 where: short stacking energy: -332.427 Base-Backbone interact. energy: 2.018 local terms energy: -363.806496 where: bonds (distance) C4'-P energy: -68.090 bonds (distance) P-C4' energy: -68.642 flat angles C4'-P-C4' energy: -70.534 flat angles P-C4'-P energy: -53.751 tors. eta vs tors. theta energy: -102.789 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: 3 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1128.170870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.170870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.170870 (E_RNA) where: Base-Base interactions energy: -782.393 where: short stacking energy: -343.151 Base-Backbone interact. energy: -3.366 local terms energy: -342.412032 where: bonds (distance) C4'-P energy: -52.415 bonds (distance) P-C4' energy: -57.230 flat angles C4'-P-C4' energy: -76.932 flat angles P-C4'-P energy: -55.746 tors. eta vs tors. theta energy: -100.089 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: 6 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1063.855748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.855748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.855748 (E_RNA) where: Base-Base interactions energy: -737.848 where: short stacking energy: -300.795 Base-Backbone interact. energy: 0.595 local terms energy: -326.603261 where: bonds (distance) C4'-P energy: -51.086 bonds (distance) P-C4' energy: -71.701 flat angles C4'-P-C4' energy: -65.975 flat angles P-C4'-P energy: -48.210 tors. eta vs tors. theta energy: -89.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1096.247329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.247329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.247329 (E_RNA) where: Base-Base interactions energy: -757.180 where: short stacking energy: -312.944 Base-Backbone interact. energy: -0.497 local terms energy: -338.570469 where: bonds (distance) C4'-P energy: -54.645 bonds (distance) P-C4' energy: -71.170 flat angles C4'-P-C4' energy: -73.906 flat angles P-C4'-P energy: -40.690 tors. eta vs tors. theta energy: -98.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -938.137351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.137351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.137351 (E_RNA) where: Base-Base interactions energy: -627.748 where: short stacking energy: -257.591 Base-Backbone interact. energy: -0.362 local terms energy: -310.027764 where: bonds (distance) C4'-P energy: -58.150 bonds (distance) P-C4' energy: -64.039 flat angles C4'-P-C4' energy: -70.548 flat angles P-C4'-P energy: -42.602 tors. eta vs tors. theta energy: -74.689 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: 1 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -895.647557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.647557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.647557 (E_RNA) where: Base-Base interactions energy: -601.600 where: short stacking energy: -267.054 Base-Backbone interact. energy: 1.211 local terms energy: -295.258479 where: bonds (distance) C4'-P energy: -60.386 bonds (distance) P-C4' energy: -61.399 flat angles C4'-P-C4' energy: -62.210 flat angles P-C4'-P energy: -37.813 tors. eta vs tors. theta energy: -73.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -845.849125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.849125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.849125 (E_RNA) where: Base-Base interactions energy: -587.908 where: short stacking energy: -249.784 Base-Backbone interact. energy: -1.266 local terms energy: -256.675883 where: bonds (distance) C4'-P energy: -56.519 bonds (distance) P-C4' energy: -55.642 flat angles C4'-P-C4' energy: -52.037 flat angles P-C4'-P energy: -32.272 tors. eta vs tors. theta energy: -60.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -565.790341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.790341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.790341 (E_RNA) where: Base-Base interactions energy: -349.552 where: short stacking energy: -166.891 Base-Backbone interact. energy: -1.119 local terms energy: -215.119342 where: bonds (distance) C4'-P energy: -44.248 bonds (distance) P-C4' energy: -54.771 flat angles C4'-P-C4' energy: -50.531 flat angles P-C4'-P energy: -37.157 tors. eta vs tors. theta energy: -28.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -556.901756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.901756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.901756 (E_RNA) where: Base-Base interactions energy: -331.122 where: short stacking energy: -155.931 Base-Backbone interact. energy: -1.431 local terms energy: -224.348960 where: bonds (distance) C4'-P energy: -60.955 bonds (distance) P-C4' energy: -62.964 flat angles C4'-P-C4' energy: -51.303 flat angles P-C4'-P energy: -29.319 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: 10, replica: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -565.120857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.120857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.120857 (E_RNA) where: Base-Base interactions energy: -326.863 where: short stacking energy: -143.910 Base-Backbone interact. energy: -0.897 local terms energy: -237.361646 where: bonds (distance) C4'-P energy: -63.954 bonds (distance) P-C4' energy: -58.131 flat angles C4'-P-C4' energy: -50.890 flat angles P-C4'-P energy: -33.742 tors. eta vs tors. theta energy: -30.644 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: 1, replica: 3 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1146.019280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.019280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.019280 (E_RNA) where: Base-Base interactions energy: -795.398 where: short stacking energy: -355.901 Base-Backbone interact. energy: -0.747 local terms energy: -349.874431 where: bonds (distance) C4'-P energy: -54.011 bonds (distance) P-C4' energy: -68.016 flat angles C4'-P-C4' energy: -77.163 flat angles P-C4'-P energy: -43.243 tors. eta vs tors. theta energy: -107.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1160.165719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.165719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.165719 (E_RNA) where: Base-Base interactions energy: -803.521 where: short stacking energy: -329.717 Base-Backbone interact. energy: -3.008 local terms energy: -353.636035 where: bonds (distance) C4'-P energy: -60.481 bonds (distance) P-C4' energy: -67.945 flat angles C4'-P-C4' energy: -76.485 flat angles P-C4'-P energy: -49.386 tors. eta vs tors. theta energy: -99.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1099.042828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.042828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.042828 (E_RNA) where: Base-Base interactions energy: -769.017 where: short stacking energy: -327.570 Base-Backbone interact. energy: -1.759 local terms energy: -328.266963 where: bonds (distance) C4'-P energy: -57.992 bonds (distance) P-C4' energy: -58.959 flat angles C4'-P-C4' energy: -71.894 flat angles P-C4'-P energy: -51.319 tors. eta vs tors. theta energy: -88.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1019.999461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.999461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.999461 (E_RNA) where: Base-Base interactions energy: -688.784 where: short stacking energy: -306.287 Base-Backbone interact. energy: -3.425 local terms energy: -327.790779 where: bonds (distance) C4'-P energy: -55.620 bonds (distance) P-C4' energy: -58.364 flat angles C4'-P-C4' energy: -73.667 flat angles P-C4'-P energy: -48.489 tors. eta vs tors. theta energy: -91.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -972.577064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.577064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.577064 (E_RNA) where: Base-Base interactions energy: -674.938 where: short stacking energy: -274.583 Base-Backbone interact. energy: -1.323 local terms energy: -296.315355 where: bonds (distance) C4'-P energy: -52.608 bonds (distance) P-C4' energy: -57.461 flat angles C4'-P-C4' energy: -59.583 flat angles P-C4'-P energy: -49.976 tors. eta vs tors. theta energy: -76.688 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: 286 Temperature: 1.150000 Total energy: -892.516476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.516476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.516476 (E_RNA) where: Base-Base interactions energy: -604.195 where: short stacking energy: -260.269 Base-Backbone interact. energy: -0.243 local terms energy: -288.078963 where: bonds (distance) C4'-P energy: -58.900 bonds (distance) P-C4' energy: -63.502 flat angles C4'-P-C4' energy: -62.373 flat angles P-C4'-P energy: -36.915 tors. eta vs tors. theta energy: -66.389 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: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -820.133123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.133123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.133123 (E_RNA) where: Base-Base interactions energy: -550.186 where: short stacking energy: -244.626 Base-Backbone interact. energy: -1.235 local terms energy: -268.712156 where: bonds (distance) C4'-P energy: -58.229 bonds (distance) P-C4' energy: -59.445 flat angles C4'-P-C4' energy: -45.605 flat angles P-C4'-P energy: -43.190 tors. eta vs tors. theta energy: -62.243 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: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -560.133828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.133828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.133828 (E_RNA) where: Base-Base interactions energy: -341.835 where: short stacking energy: -163.014 Base-Backbone interact. energy: -0.822 local terms energy: -217.477146 where: bonds (distance) C4'-P energy: -43.391 bonds (distance) P-C4' energy: -64.249 flat angles C4'-P-C4' energy: -49.320 flat angles P-C4'-P energy: -40.038 tors. eta vs tors. theta energy: -20.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -540.108456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.108456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.108456 (E_RNA) where: Base-Base interactions energy: -332.636 where: short stacking energy: -169.674 Base-Backbone interact. energy: -1.846 local terms energy: -205.626344 where: bonds (distance) C4'-P energy: -43.793 bonds (distance) P-C4' energy: -67.600 flat angles C4'-P-C4' energy: -57.970 flat angles P-C4'-P energy: -18.715 tors. eta vs tors. theta energy: -17.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -537.239731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.239731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.239731 (E_RNA) where: Base-Base interactions energy: -336.549 where: short stacking energy: -153.671 Base-Backbone interact. energy: -0.159 local terms energy: -200.530950 where: bonds (distance) C4'-P energy: -54.222 bonds (distance) P-C4' energy: -52.642 flat angles C4'-P-C4' energy: -44.179 flat angles P-C4'-P energy: -34.448 tors. eta vs tors. theta energy: -15.040 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: 1, replica: 3 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1143.962182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.962182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.962182 (E_RNA) where: Base-Base interactions energy: -766.658 where: short stacking energy: -348.011 Base-Backbone interact. energy: 1.487 local terms energy: -378.791448 where: bonds (distance) C4'-P energy: -68.706 bonds (distance) P-C4' energy: -67.015 flat angles C4'-P-C4' energy: -76.468 flat angles P-C4'-P energy: -61.567 tors. eta vs tors. theta energy: -105.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1134.839067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.839067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.839067 (E_RNA) where: Base-Base interactions energy: -772.499 where: short stacking energy: -324.073 Base-Backbone interact. energy: 0.756 local terms energy: -363.096986 where: bonds (distance) C4'-P energy: -75.003 bonds (distance) P-C4' energy: -62.897 flat angles C4'-P-C4' energy: -78.394 flat angles P-C4'-P energy: -53.153 tors. eta vs tors. theta energy: -93.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1120.417500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.417500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.417500 (E_RNA) where: Base-Base interactions energy: -789.905 where: short stacking energy: -320.968 Base-Backbone interact. energy: -0.683 local terms energy: -329.829363 where: bonds (distance) C4'-P energy: -60.519 bonds (distance) P-C4' energy: -58.944 flat angles C4'-P-C4' energy: -70.398 flat angles P-C4'-P energy: -48.179 tors. eta vs tors. theta energy: -91.789 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: 9 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1029.108569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.108569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.108569 (E_RNA) where: Base-Base interactions energy: -701.539 where: short stacking energy: -287.484 Base-Backbone interact. energy: 0.484 local terms energy: -328.053549 where: bonds (distance) C4'-P energy: -60.623 bonds (distance) P-C4' energy: -68.212 flat angles C4'-P-C4' energy: -72.938 flat angles P-C4'-P energy: -39.589 tors. eta vs tors. theta energy: -86.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -988.075973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.075973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.075973 (E_RNA) where: Base-Base interactions energy: -672.610 where: short stacking energy: -298.988 Base-Backbone interact. energy: -1.281 local terms energy: -314.185167 where: bonds (distance) C4'-P energy: -55.081 bonds (distance) P-C4' energy: -61.609 flat angles C4'-P-C4' energy: -59.048 flat angles P-C4'-P energy: -45.469 tors. eta vs tors. theta energy: -92.979 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: 1 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -872.714854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.714854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.714854 (E_RNA) where: Base-Base interactions energy: -589.820 where: short stacking energy: -255.564 Base-Backbone interact. energy: -1.176 local terms energy: -281.718822 where: bonds (distance) C4'-P energy: -52.951 bonds (distance) P-C4' energy: -60.569 flat angles C4'-P-C4' energy: -60.120 flat angles P-C4'-P energy: -44.773 tors. eta vs tors. theta energy: -63.306 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: 4 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -824.696135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.696135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.696135 (E_RNA) where: Base-Base interactions energy: -560.455 where: short stacking energy: -240.399 Base-Backbone interact. energy: 0.494 local terms energy: -264.735017 where: bonds (distance) C4'-P energy: -50.293 bonds (distance) P-C4' energy: -59.012 flat angles C4'-P-C4' energy: -66.335 flat angles P-C4'-P energy: -33.144 tors. eta vs tors. theta energy: -55.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -591.339099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.339099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.339099 (E_RNA) where: Base-Base interactions energy: -372.721 where: short stacking energy: -170.624 Base-Backbone interact. energy: -1.569 local terms energy: -217.048381 where: bonds (distance) C4'-P energy: -54.342 bonds (distance) P-C4' energy: -57.621 flat angles C4'-P-C4' energy: -60.494 flat angles P-C4'-P energy: -24.117 tors. eta vs tors. theta energy: -20.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -545.770184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.770184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.770184 (E_RNA) where: Base-Base interactions energy: -329.943 where: short stacking energy: -151.252 Base-Backbone interact. energy: -1.250 local terms energy: -214.577675 where: bonds (distance) C4'-P energy: -36.844 bonds (distance) P-C4' energy: -60.680 flat angles C4'-P-C4' energy: -50.361 flat angles P-C4'-P energy: -48.075 tors. eta vs tors. theta energy: -18.618 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: 10, replica: 2 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -474.538243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.538243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.538243 (E_RNA) where: Base-Base interactions energy: -281.663 where: short stacking energy: -130.111 Base-Backbone interact. energy: 2.192 local terms energy: -195.066962 where: bonds (distance) C4'-P energy: -47.197 bonds (distance) P-C4' energy: -63.414 flat angles C4'-P-C4' energy: -51.041 flat angles P-C4'-P energy: -30.634 tors. eta vs tors. theta energy: -2.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1166.815729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.815729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.815729 (E_RNA) where: Base-Base interactions energy: -805.425 where: short stacking energy: -353.499 Base-Backbone interact. energy: 0.698 local terms energy: -362.088809 where: bonds (distance) C4'-P energy: -63.242 bonds (distance) P-C4' energy: -66.794 flat angles C4'-P-C4' energy: -73.370 flat angles P-C4'-P energy: -55.136 tors. eta vs tors. theta energy: -103.547 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: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1107.734343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.734343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.734343 (E_RNA) where: Base-Base interactions energy: -750.020 where: short stacking energy: -341.622 Base-Backbone interact. energy: -0.129 local terms energy: -357.585355 where: bonds (distance) C4'-P energy: -63.630 bonds (distance) P-C4' energy: -66.187 flat angles C4'-P-C4' energy: -79.247 flat angles P-C4'-P energy: -42.792 tors. eta vs tors. theta energy: -105.729 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: 10 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1109.481003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.481003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.481003 (E_RNA) where: Base-Base interactions energy: -769.123 where: short stacking energy: -325.242 Base-Backbone interact. energy: -1.785 local terms energy: -338.572381 where: bonds (distance) C4'-P energy: -60.709 bonds (distance) P-C4' energy: -55.022 flat angles C4'-P-C4' energy: -71.647 flat angles P-C4'-P energy: -51.476 tors. eta vs tors. theta energy: -99.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1006.802012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.802012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.802012 (E_RNA) where: Base-Base interactions energy: -708.067 where: short stacking energy: -310.883 Base-Backbone interact. energy: -0.748 local terms energy: -297.987074 where: bonds (distance) C4'-P energy: -57.073 bonds (distance) P-C4' energy: -62.976 flat angles C4'-P-C4' energy: -65.843 flat angles P-C4'-P energy: -33.009 tors. eta vs tors. theta energy: -79.086 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: 6 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -989.189751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.189751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.189751 (E_RNA) where: Base-Base interactions energy: -682.639 where: short stacking energy: -282.481 Base-Backbone interact. energy: -0.508 local terms energy: -306.043493 where: bonds (distance) C4'-P energy: -52.484 bonds (distance) P-C4' energy: -55.290 flat angles C4'-P-C4' energy: -66.390 flat angles P-C4'-P energy: -49.964 tors. eta vs tors. theta energy: -81.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -871.241305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.241305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.241305 (E_RNA) where: Base-Base interactions energy: -592.080 where: short stacking energy: -252.798 Base-Backbone interact. energy: -3.270 local terms energy: -275.891725 where: bonds (distance) C4'-P energy: -60.216 bonds (distance) P-C4' energy: -49.706 flat angles C4'-P-C4' energy: -63.412 flat angles P-C4'-P energy: -37.737 tors. eta vs tors. theta energy: -64.822 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: 288 Temperature: 1.200000 Total energy: -847.201653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.201653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.201653 (E_RNA) where: Base-Base interactions energy: -572.428 where: short stacking energy: -251.429 Base-Backbone interact. energy: -2.736 local terms energy: -272.037597 where: bonds (distance) C4'-P energy: -55.856 bonds (distance) P-C4' energy: -54.218 flat angles C4'-P-C4' energy: -63.432 flat angles P-C4'-P energy: -33.763 tors. eta vs tors. theta energy: -64.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -604.519172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.519172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.519172 (E_RNA) where: Base-Base interactions energy: -372.362 where: short stacking energy: -170.492 Base-Backbone interact. energy: -1.789 local terms energy: -230.368277 where: bonds (distance) C4'-P energy: -49.403 bonds (distance) P-C4' energy: -52.190 flat angles C4'-P-C4' energy: -58.270 flat angles P-C4'-P energy: -38.069 tors. eta vs tors. theta energy: -32.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -583.485524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.485524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.485524 (E_RNA) where: Base-Base interactions energy: -368.264 where: short stacking energy: -160.285 Base-Backbone interact. energy: -1.679 local terms energy: -213.542377 where: bonds (distance) C4'-P energy: -51.403 bonds (distance) P-C4' energy: -49.863 flat angles C4'-P-C4' energy: -49.382 flat angles P-C4'-P energy: -38.669 tors. eta vs tors. theta energy: -24.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -503.037965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.037965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.037965 (E_RNA) where: Base-Base interactions energy: -294.726 where: short stacking energy: -143.510 Base-Backbone interact. energy: -0.461 local terms energy: -207.851109 where: bonds (distance) C4'-P energy: -51.644 bonds (distance) P-C4' energy: -50.017 flat angles C4'-P-C4' energy: -60.474 flat angles P-C4'-P energy: -27.619 tors. eta vs tors. theta energy: -18.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1172.733620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.733620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.733620 (E_RNA) where: Base-Base interactions energy: -823.170 where: short stacking energy: -343.607 Base-Backbone interact. energy: -0.355 local terms energy: -349.209085 where: bonds (distance) C4'-P energy: -62.975 bonds (distance) P-C4' energy: -67.132 flat angles C4'-P-C4' energy: -74.699 flat angles P-C4'-P energy: -45.460 tors. eta vs tors. theta energy: -98.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1138.432187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.432187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.432187 (E_RNA) where: Base-Base interactions energy: -801.694 where: short stacking energy: -323.932 Base-Backbone interact. energy: -3.043 local terms energy: -333.695353 where: bonds (distance) C4'-P energy: -60.328 bonds (distance) P-C4' energy: -59.744 flat angles C4'-P-C4' energy: -70.736 flat angles P-C4'-P energy: -47.243 tors. eta vs tors. theta energy: -95.645 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: 289 Temperature: 1.000000 Total energy: -1069.106145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.106145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.106145 (E_RNA) where: Base-Base interactions energy: -729.371 where: short stacking energy: -339.020 Base-Backbone interact. energy: -0.730 local terms energy: -339.004676 where: bonds (distance) C4'-P energy: -56.778 bonds (distance) P-C4' energy: -61.655 flat angles C4'-P-C4' energy: -68.256 flat angles P-C4'-P energy: -52.630 tors. eta vs tors. theta energy: -99.686 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: 6 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1010.619283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.619283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.619283 (E_RNA) where: Base-Base interactions energy: -693.644 where: short stacking energy: -285.904 Base-Backbone interact. energy: -1.835 local terms energy: -315.139874 where: bonds (distance) C4'-P energy: -58.641 bonds (distance) P-C4' energy: -61.241 flat angles C4'-P-C4' energy: -62.730 flat angles P-C4'-P energy: -39.396 tors. eta vs tors. theta energy: -93.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -974.228699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.228699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.228699 (E_RNA) where: Base-Base interactions energy: -670.435 where: short stacking energy: -294.422 Base-Backbone interact. energy: -1.601 local terms energy: -302.192809 where: bonds (distance) C4'-P energy: -56.644 bonds (distance) P-C4' energy: -53.547 flat angles C4'-P-C4' energy: -68.607 flat angles P-C4'-P energy: -38.507 tors. eta vs tors. theta energy: -84.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -874.145898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.145898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.145898 (E_RNA) where: Base-Base interactions energy: -607.860 where: short stacking energy: -263.109 Base-Backbone interact. energy: -0.090 local terms energy: -266.196250 where: bonds (distance) C4'-P energy: -52.349 bonds (distance) P-C4' energy: -61.648 flat angles C4'-P-C4' energy: -65.406 flat angles P-C4'-P energy: -30.174 tors. eta vs tors. theta energy: -56.619 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: 4 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -840.764062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.764062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.764062 (E_RNA) where: Base-Base interactions energy: -567.583 where: short stacking energy: -246.677 Base-Backbone interact. energy: 2.097 local terms energy: -275.277717 where: bonds (distance) C4'-P energy: -57.529 bonds (distance) P-C4' energy: -63.487 flat angles C4'-P-C4' energy: -62.102 flat angles P-C4'-P energy: -29.008 tors. eta vs tors. theta energy: -63.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -667.362060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.362060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.362060 (E_RNA) where: Base-Base interactions energy: -423.617 where: short stacking energy: -193.651 Base-Backbone interact. energy: -0.725 local terms energy: -243.019920 where: bonds (distance) C4'-P energy: -61.463 bonds (distance) P-C4' energy: -61.242 flat angles C4'-P-C4' energy: -58.667 flat angles P-C4'-P energy: -29.206 tors. eta vs tors. theta energy: -32.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -572.762536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.762536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.762536 (E_RNA) where: Base-Base interactions energy: -367.900 where: short stacking energy: -159.720 Base-Backbone interact. energy: 4.634 local terms energy: -209.496803 where: bonds (distance) C4'-P energy: -53.056 bonds (distance) P-C4' energy: -58.955 flat angles C4'-P-C4' energy: -39.173 flat angles P-C4'-P energy: -33.418 tors. eta vs tors. theta energy: -24.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -487.047513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.047513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.047513 (E_RNA) where: Base-Base interactions energy: -279.863 where: short stacking energy: -133.232 Base-Backbone interact. energy: -2.244 local terms energy: -204.940240 where: bonds (distance) C4'-P energy: -54.560 bonds (distance) P-C4' energy: -58.260 flat angles C4'-P-C4' energy: -28.829 flat angles P-C4'-P energy: -39.455 tors. eta vs tors. theta energy: -23.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1167.950177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.950177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.950177 (E_RNA) where: Base-Base interactions energy: -830.658 where: short stacking energy: -354.177 Base-Backbone interact. energy: -1.652 local terms energy: -335.640029 where: bonds (distance) C4'-P energy: -55.257 bonds (distance) P-C4' energy: -58.275 flat angles C4'-P-C4' energy: -73.734 flat angles P-C4'-P energy: -47.436 tors. eta vs tors. theta energy: -100.937 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: 10 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1129.708200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.708200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.708200 (E_RNA) where: Base-Base interactions energy: -791.545 where: short stacking energy: -326.800 Base-Backbone interact. energy: -1.229 local terms energy: -336.933859 where: bonds (distance) C4'-P energy: -54.026 bonds (distance) P-C4' energy: -67.295 flat angles C4'-P-C4' energy: -76.763 flat angles P-C4'-P energy: -43.265 tors. eta vs tors. theta energy: -95.585 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: 6 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1042.325381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.325381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.325381 (E_RNA) where: Base-Base interactions energy: -728.608 where: short stacking energy: -317.503 Base-Backbone interact. energy: -0.777 local terms energy: -312.940995 where: bonds (distance) C4'-P energy: -61.626 bonds (distance) P-C4' energy: -57.101 flat angles C4'-P-C4' energy: -63.934 flat angles P-C4'-P energy: -40.288 tors. eta vs tors. theta energy: -89.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1052.085952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.085952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.085952 (E_RNA) where: Base-Base interactions energy: -709.618 where: short stacking energy: -334.277 Base-Backbone interact. energy: -0.002 local terms energy: -342.466229 where: bonds (distance) C4'-P energy: -53.263 bonds (distance) P-C4' energy: -57.783 flat angles C4'-P-C4' energy: -77.397 flat angles P-C4'-P energy: -48.738 tors. eta vs tors. theta energy: -105.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -963.555950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.555950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.555950 (E_RNA) where: Base-Base interactions energy: -668.282 where: short stacking energy: -271.336 Base-Backbone interact. energy: -0.066 local terms energy: -295.207869 where: bonds (distance) C4'-P energy: -58.974 bonds (distance) P-C4' energy: -51.053 flat angles C4'-P-C4' energy: -67.585 flat angles P-C4'-P energy: -48.252 tors. eta vs tors. theta energy: -69.344 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: 1 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -864.160015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.160015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.160015 (E_RNA) where: Base-Base interactions energy: -614.243 where: short stacking energy: -235.888 Base-Backbone interact. energy: -3.055 local terms energy: -246.861910 where: bonds (distance) C4'-P energy: -48.288 bonds (distance) P-C4' energy: -52.697 flat angles C4'-P-C4' energy: -44.089 flat angles P-C4'-P energy: -49.696 tors. eta vs tors. theta energy: -52.092 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: 4 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -815.794136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.794136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.794136 (E_RNA) where: Base-Base interactions energy: -560.673 where: short stacking energy: -234.860 Base-Backbone interact. energy: 1.852 local terms energy: -256.973241 where: bonds (distance) C4'-P energy: -44.313 bonds (distance) P-C4' energy: -52.860 flat angles C4'-P-C4' energy: -57.667 flat angles P-C4'-P energy: -43.138 tors. eta vs tors. theta energy: -58.996 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: 8, replica: 5 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -651.171013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.171013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.171013 (E_RNA) where: Base-Base interactions energy: -412.473 where: short stacking energy: -195.026 Base-Backbone interact. energy: -0.835 local terms energy: -237.863175 where: bonds (distance) C4'-P energy: -53.365 bonds (distance) P-C4' energy: -62.453 flat angles C4'-P-C4' energy: -44.702 flat angles P-C4'-P energy: -37.210 tors. eta vs tors. theta energy: -40.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -591.960806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.960806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.960806 (E_RNA) where: Base-Base interactions energy: -358.848 where: short stacking energy: -162.573 Base-Backbone interact. energy: 3.248 local terms energy: -236.360052 where: bonds (distance) C4'-P energy: -57.058 bonds (distance) P-C4' energy: -54.246 flat angles C4'-P-C4' energy: -53.238 flat angles P-C4'-P energy: -30.109 tors. eta vs tors. theta energy: -41.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -479.990922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.990922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.990922 (E_RNA) where: Base-Base interactions energy: -302.000 where: short stacking energy: -168.407 Base-Backbone interact. energy: -0.738 local terms energy: -177.252202 where: bonds (distance) C4'-P energy: -40.393 bonds (distance) P-C4' energy: -47.987 flat angles C4'-P-C4' energy: -38.364 flat angles P-C4'-P energy: -32.512 tors. eta vs tors. theta energy: -17.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1144.664285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.664285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.664285 (E_RNA) where: Base-Base interactions energy: -790.691 where: short stacking energy: -335.276 Base-Backbone interact. energy: 0.205 local terms energy: -354.178024 where: bonds (distance) C4'-P energy: -65.378 bonds (distance) P-C4' energy: -67.449 flat angles C4'-P-C4' energy: -72.168 flat angles P-C4'-P energy: -57.147 tors. eta vs tors. theta energy: -92.036 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: 10 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1142.020309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.020309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.020309 (E_RNA) where: Base-Base interactions energy: -810.217 where: short stacking energy: -338.935 Base-Backbone interact. energy: -4.649 local terms energy: -327.154052 where: bonds (distance) C4'-P energy: -53.673 bonds (distance) P-C4' energy: -54.160 flat angles C4'-P-C4' energy: -73.462 flat angles P-C4'-P energy: -49.932 tors. eta vs tors. theta energy: -95.927 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: 6 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1009.970313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.970313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.970313 (E_RNA) where: Base-Base interactions energy: -707.924 where: short stacking energy: -289.590 Base-Backbone interact. energy: -2.763 local terms energy: -299.283259 where: bonds (distance) C4'-P energy: -47.445 bonds (distance) P-C4' energy: -65.244 flat angles C4'-P-C4' energy: -60.327 flat angles P-C4'-P energy: -47.872 tors. eta vs tors. theta energy: -78.396 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: 3 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1022.711281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.711281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.711281 (E_RNA) where: Base-Base interactions energy: -681.789 where: short stacking energy: -307.595 Base-Backbone interact. energy: -0.475 local terms energy: -340.447997 where: bonds (distance) C4'-P energy: -60.065 bonds (distance) P-C4' energy: -65.003 flat angles C4'-P-C4' energy: -71.485 flat angles P-C4'-P energy: -46.523 tors. eta vs tors. theta energy: -97.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1002.743577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.743577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.743577 (E_RNA) where: Base-Base interactions energy: -681.213 where: short stacking energy: -288.838 Base-Backbone interact. energy: -2.184 local terms energy: -319.346617 where: bonds (distance) C4'-P energy: -53.249 bonds (distance) P-C4' energy: -70.824 flat angles C4'-P-C4' energy: -73.159 flat angles P-C4'-P energy: -41.326 tors. eta vs tors. theta energy: -80.789 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: 1 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -840.516620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.516620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.516620 (E_RNA) where: Base-Base interactions energy: -585.448 where: short stacking energy: -235.871 Base-Backbone interact. energy: -1.443 local terms energy: -253.625165 where: bonds (distance) C4'-P energy: -60.026 bonds (distance) P-C4' energy: -50.905 flat angles C4'-P-C4' energy: -61.414 flat angles P-C4'-P energy: -30.790 tors. eta vs tors. theta energy: -50.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -762.530316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.530316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.530316 (E_RNA) where: Base-Base interactions energy: -500.139 where: short stacking energy: -214.180 Base-Backbone interact. energy: -1.164 local terms energy: -261.226660 where: bonds (distance) C4'-P energy: -53.714 bonds (distance) P-C4' energy: -54.926 flat angles C4'-P-C4' energy: -58.906 flat angles P-C4'-P energy: -45.081 tors. eta vs tors. theta energy: -48.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -659.411464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.411464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.411464 (E_RNA) where: Base-Base interactions energy: -436.604 where: short stacking energy: -197.826 Base-Backbone interact. energy: -0.413 local terms energy: -222.395096 where: bonds (distance) C4'-P energy: -52.162 bonds (distance) P-C4' energy: -48.522 flat angles C4'-P-C4' energy: -57.437 flat angles P-C4'-P energy: -26.439 tors. eta vs tors. theta energy: -37.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -585.681125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.681125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.681125 (E_RNA) where: Base-Base interactions energy: -366.905 where: short stacking energy: -179.368 Base-Backbone interact. energy: -1.563 local terms energy: -217.213325 where: bonds (distance) C4'-P energy: -44.883 bonds (distance) P-C4' energy: -45.342 flat angles C4'-P-C4' energy: -56.715 flat angles P-C4'-P energy: -33.454 tors. eta vs tors. theta energy: -36.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -504.241637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.241637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.241637 (E_RNA) where: Base-Base interactions energy: -289.267 where: short stacking energy: -131.963 Base-Backbone interact. energy: 1.721 local terms energy: -216.694833 where: bonds (distance) C4'-P energy: -52.796 bonds (distance) P-C4' energy: -59.061 flat angles C4'-P-C4' energy: -50.716 flat angles P-C4'-P energy: -32.518 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: 1, replica: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1163.300707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.300707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.300707 (E_RNA) where: Base-Base interactions energy: -823.274 where: short stacking energy: -355.490 Base-Backbone interact. energy: 0.130 local terms energy: -340.156754 where: bonds (distance) C4'-P energy: -60.432 bonds (distance) P-C4' energy: -68.025 flat angles C4'-P-C4' energy: -70.898 flat angles P-C4'-P energy: -41.055 tors. eta vs tors. theta energy: -99.747 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: 8 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1140.133982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.133982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.133982 (E_RNA) where: Base-Base interactions energy: -805.544 where: short stacking energy: -322.581 Base-Backbone interact. energy: 1.417 local terms energy: -336.007365 where: bonds (distance) C4'-P energy: -65.184 bonds (distance) P-C4' energy: -63.681 flat angles C4'-P-C4' energy: -75.057 flat angles P-C4'-P energy: -44.135 tors. eta vs tors. theta energy: -87.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1056.072373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.072373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.072373 (E_RNA) where: Base-Base interactions energy: -721.359 where: short stacking energy: -340.452 Base-Backbone interact. energy: -1.603 local terms energy: -333.110869 where: bonds (distance) C4'-P energy: -61.110 bonds (distance) P-C4' energy: -59.377 flat angles C4'-P-C4' energy: -65.568 flat angles P-C4'-P energy: -52.459 tors. eta vs tors. theta energy: -94.597 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: 6 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1016.050973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.050973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.050973 (E_RNA) where: Base-Base interactions energy: -715.319 where: short stacking energy: -300.078 Base-Backbone interact. energy: -0.219 local terms energy: -300.512950 where: bonds (distance) C4'-P energy: -47.077 bonds (distance) P-C4' energy: -56.927 flat angles C4'-P-C4' energy: -67.634 flat angles P-C4'-P energy: -43.902 tors. eta vs tors. theta energy: -84.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1026.755112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.755112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.755112 (E_RNA) where: Base-Base interactions energy: -706.502 where: short stacking energy: -307.202 Base-Backbone interact. energy: -1.469 local terms energy: -318.784830 where: bonds (distance) C4'-P energy: -58.154 bonds (distance) P-C4' energy: -56.891 flat angles C4'-P-C4' energy: -72.356 flat angles P-C4'-P energy: -45.308 tors. eta vs tors. theta energy: -86.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -833.734974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.734974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.734974 (E_RNA) where: Base-Base interactions energy: -566.988 where: short stacking energy: -231.092 Base-Backbone interact. energy: -1.042 local terms energy: -265.705652 where: bonds (distance) C4'-P energy: -57.516 bonds (distance) P-C4' energy: -53.533 flat angles C4'-P-C4' energy: -65.851 flat angles P-C4'-P energy: -29.195 tors. eta vs tors. theta energy: -59.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -794.109029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.109029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.109029 (E_RNA) where: Base-Base interactions energy: -530.533 where: short stacking energy: -240.417 Base-Backbone interact. energy: -0.932 local terms energy: -262.644199 where: bonds (distance) C4'-P energy: -50.032 bonds (distance) P-C4' energy: -64.697 flat angles C4'-P-C4' energy: -53.393 flat angles P-C4'-P energy: -32.532 tors. eta vs tors. theta energy: -61.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -597.398132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.398132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.398132 (E_RNA) where: Base-Base interactions energy: -370.281 where: short stacking energy: -157.896 Base-Backbone interact. energy: -1.409 local terms energy: -225.708049 where: bonds (distance) C4'-P energy: -45.318 bonds (distance) P-C4' energy: -62.104 flat angles C4'-P-C4' energy: -61.867 flat angles P-C4'-P energy: -36.684 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: 9, replica: 7 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -655.414078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.414078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.414078 (E_RNA) where: Base-Base interactions energy: -423.543 where: short stacking energy: -204.229 Base-Backbone interact. energy: 2.563 local terms energy: -234.434292 where: bonds (distance) C4'-P energy: -42.009 bonds (distance) P-C4' energy: -56.238 flat angles C4'-P-C4' energy: -61.148 flat angles P-C4'-P energy: -26.432 tors. eta vs tors. theta energy: -48.607 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: 2 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -474.752402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.752402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.752402 (E_RNA) where: Base-Base interactions energy: -293.070 where: short stacking energy: -141.880 Base-Backbone interact. energy: -1.018 local terms energy: -180.663480 where: bonds (distance) C4'-P energy: -46.661 bonds (distance) P-C4' energy: -32.573 flat angles C4'-P-C4' energy: -52.919 flat angles P-C4'-P energy: -23.624 tors. eta vs tors. theta energy: -24.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1147.116608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.116608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.116608 (E_RNA) where: Base-Base interactions energy: -797.506 where: short stacking energy: -352.815 Base-Backbone interact. energy: -1.294 local terms energy: -348.316276 where: bonds (distance) C4'-P energy: -65.095 bonds (distance) P-C4' energy: -67.585 flat angles C4'-P-C4' energy: -76.093 flat angles P-C4'-P energy: -40.901 tors. eta vs tors. theta energy: -98.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1150.600039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.600039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.600039 (E_RNA) where: Base-Base interactions energy: -794.051 where: short stacking energy: -341.600 Base-Backbone interact. energy: -0.633 local terms energy: -355.915859 where: bonds (distance) C4'-P energy: -64.311 bonds (distance) P-C4' energy: -63.536 flat angles C4'-P-C4' energy: -77.948 flat angles P-C4'-P energy: -49.345 tors. eta vs tors. theta energy: -100.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1064.776790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.776790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.776790 (E_RNA) where: Base-Base interactions energy: -728.091 where: short stacking energy: -347.328 Base-Backbone interact. energy: 0.127 local terms energy: -336.812858 where: bonds (distance) C4'-P energy: -61.878 bonds (distance) P-C4' energy: -59.111 flat angles C4'-P-C4' energy: -74.000 flat angles P-C4'-P energy: -42.898 tors. eta vs tors. theta energy: -98.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1023.582918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.582918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.582918 (E_RNA) where: Base-Base interactions energy: -695.477 where: short stacking energy: -299.954 Base-Backbone interact. energy: -2.381 local terms energy: -325.724912 where: bonds (distance) C4'-P energy: -56.139 bonds (distance) P-C4' energy: -74.322 flat angles C4'-P-C4' energy: -69.948 flat angles P-C4'-P energy: -42.708 tors. eta vs tors. theta energy: -82.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -995.269522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.269522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.269522 (E_RNA) where: Base-Base interactions energy: -690.534 where: short stacking energy: -294.872 Base-Backbone interact. energy: 0.894 local terms energy: -305.629691 where: bonds (distance) C4'-P energy: -59.537 bonds (distance) P-C4' energy: -52.723 flat angles C4'-P-C4' energy: -66.364 flat angles P-C4'-P energy: -40.621 tors. eta vs tors. theta energy: -86.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -870.013543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.013543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.013543 (E_RNA) where: Base-Base interactions energy: -588.900 where: short stacking energy: -249.274 Base-Backbone interact. energy: -0.420 local terms energy: -280.693913 where: bonds (distance) C4'-P energy: -55.139 bonds (distance) P-C4' energy: -60.097 flat angles C4'-P-C4' energy: -58.908 flat angles P-C4'-P energy: -35.602 tors. eta vs tors. theta energy: -70.948 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: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -793.881440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.881440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.881440 (E_RNA) where: Base-Base interactions energy: -520.277 where: short stacking energy: -240.969 Base-Backbone interact. energy: -1.312 local terms energy: -272.292342 where: bonds (distance) C4'-P energy: -60.627 bonds (distance) P-C4' energy: -62.420 flat angles C4'-P-C4' energy: -54.625 flat angles P-C4'-P energy: -45.614 tors. eta vs tors. theta energy: -49.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -606.803400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.803400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.803400 (E_RNA) where: Base-Base interactions energy: -375.747 where: short stacking energy: -172.048 Base-Backbone interact. energy: 1.105 local terms energy: -232.161082 where: bonds (distance) C4'-P energy: -47.903 bonds (distance) P-C4' energy: -60.715 flat angles C4'-P-C4' energy: -48.299 flat angles P-C4'-P energy: -43.293 tors. eta vs tors. theta energy: -31.951 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: 7 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -605.189060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.189060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.189060 (E_RNA) where: Base-Base interactions energy: -395.567 where: short stacking energy: -190.039 Base-Backbone interact. energy: 0.440 local terms energy: -210.062510 where: bonds (distance) C4'-P energy: -55.795 bonds (distance) P-C4' energy: -42.531 flat angles C4'-P-C4' energy: -48.897 flat angles P-C4'-P energy: -31.466 tors. eta vs tors. theta energy: -31.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -444.754008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.754008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.754008 (E_RNA) where: Base-Base interactions energy: -241.946 where: short stacking energy: -127.307 Base-Backbone interact. energy: -0.352 local terms energy: -202.456043 where: bonds (distance) C4'-P energy: -46.352 bonds (distance) P-C4' energy: -64.985 flat angles C4'-P-C4' energy: -42.806 flat angles P-C4'-P energy: -34.238 tors. eta vs tors. theta energy: -14.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1159.043532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.043532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.043532 (E_RNA) where: Base-Base interactions energy: -801.733 where: short stacking energy: -346.378 Base-Backbone interact. energy: -0.012 local terms energy: -357.298574 where: bonds (distance) C4'-P energy: -66.532 bonds (distance) P-C4' energy: -60.437 flat angles C4'-P-C4' energy: -76.653 flat angles P-C4'-P energy: -50.337 tors. eta vs tors. theta energy: -103.339 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: 10 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1113.084122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.084122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.084122 (E_RNA) where: Base-Base interactions energy: -768.159 where: short stacking energy: -322.899 Base-Backbone interact. energy: -0.457 local terms energy: -344.468269 where: bonds (distance) C4'-P energy: -57.676 bonds (distance) P-C4' energy: -65.316 flat angles C4'-P-C4' energy: -79.046 flat angles P-C4'-P energy: -49.917 tors. eta vs tors. theta energy: -92.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1063.755208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.755208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.755208 (E_RNA) where: Base-Base interactions energy: -725.220 where: short stacking energy: -313.696 Base-Backbone interact. energy: -1.358 local terms energy: -337.177061 where: bonds (distance) C4'-P energy: -71.794 bonds (distance) P-C4' energy: -64.536 flat angles C4'-P-C4' energy: -59.462 flat angles P-C4'-P energy: -47.760 tors. eta vs tors. theta energy: -93.624 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: 294 Temperature: 1.050000 Total energy: -1038.056110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.056110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.056110 (E_RNA) where: Base-Base interactions energy: -710.260 where: short stacking energy: -308.297 Base-Backbone interact. energy: -0.520 local terms energy: -327.276266 where: bonds (distance) C4'-P energy: -65.274 bonds (distance) P-C4' energy: -63.836 flat angles C4'-P-C4' energy: -66.120 flat angles P-C4'-P energy: -44.593 tors. eta vs tors. theta energy: -87.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -942.447966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.447966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.447966 (E_RNA) where: Base-Base interactions energy: -630.722 where: short stacking energy: -272.997 Base-Backbone interact. energy: -1.854 local terms energy: -309.871927 where: bonds (distance) C4'-P energy: -55.744 bonds (distance) P-C4' energy: -57.650 flat angles C4'-P-C4' energy: -73.988 flat angles P-C4'-P energy: -41.311 tors. eta vs tors. theta energy: -81.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -845.360959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.360959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.360959 (E_RNA) where: Base-Base interactions energy: -574.011 where: short stacking energy: -240.558 Base-Backbone interact. energy: -0.873 local terms energy: -270.477233 where: bonds (distance) C4'-P energy: -52.256 bonds (distance) P-C4' energy: -58.174 flat angles C4'-P-C4' energy: -68.799 flat angles P-C4'-P energy: -34.120 tors. eta vs tors. theta energy: -57.128 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: 294 Temperature: 1.200000 Total energy: -789.473670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.473670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.473670 (E_RNA) where: Base-Base interactions energy: -537.301 where: short stacking energy: -222.033 Base-Backbone interact. energy: 2.549 local terms energy: -254.721291 where: bonds (distance) C4'-P energy: -58.182 bonds (distance) P-C4' energy: -51.628 flat angles C4'-P-C4' energy: -56.175 flat angles P-C4'-P energy: -35.724 tors. eta vs tors. theta energy: -53.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -576.181639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.181639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.181639 (E_RNA) where: Base-Base interactions energy: -358.712 where: short stacking energy: -178.536 Base-Backbone interact. energy: -0.153 local terms energy: -217.316749 where: bonds (distance) C4'-P energy: -49.050 bonds (distance) P-C4' energy: -37.984 flat angles C4'-P-C4' energy: -55.426 flat angles P-C4'-P energy: -44.799 tors. eta vs tors. theta energy: -30.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -568.449743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.449743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.449743 (E_RNA) where: Base-Base interactions energy: -343.150 where: short stacking energy: -177.740 Base-Backbone interact. energy: -0.389 local terms energy: -224.910776 where: bonds (distance) C4'-P energy: -54.252 bonds (distance) P-C4' energy: -58.332 flat angles C4'-P-C4' energy: -47.421 flat angles P-C4'-P energy: -33.576 tors. eta vs tors. theta energy: -31.329 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: 2 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -472.517736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.517736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.517736 (E_RNA) where: Base-Base interactions energy: -273.566 where: short stacking energy: -114.755 Base-Backbone interact. energy: -1.256 local terms energy: -197.695966 where: bonds (distance) C4'-P energy: -44.786 bonds (distance) P-C4' energy: -54.989 flat angles C4'-P-C4' energy: -48.180 flat angles P-C4'-P energy: -40.445 tors. eta vs tors. theta energy: -9.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1157.638497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.638497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.638497 (E_RNA) where: Base-Base interactions energy: -801.888 where: short stacking energy: -336.578 Base-Backbone interact. energy: -1.217 local terms energy: -354.533604 where: bonds (distance) C4'-P energy: -62.151 bonds (distance) P-C4' energy: -72.232 flat angles C4'-P-C4' energy: -75.137 flat angles P-C4'-P energy: -45.952 tors. eta vs tors. theta energy: -99.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1139.676348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.676348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.676348 (E_RNA) where: Base-Base interactions energy: -798.936 where: short stacking energy: -354.534 Base-Backbone interact. energy: -2.166 local terms energy: -338.573728 where: bonds (distance) C4'-P energy: -64.793 bonds (distance) P-C4' energy: -56.262 flat angles C4'-P-C4' energy: -67.944 flat angles P-C4'-P energy: -48.683 tors. eta vs tors. theta energy: -100.891 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: 3 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1055.246202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.246202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.246202 (E_RNA) where: Base-Base interactions energy: -714.181 where: short stacking energy: -311.904 Base-Backbone interact. energy: -0.134 local terms energy: -340.931320 where: bonds (distance) C4'-P energy: -63.136 bonds (distance) P-C4' energy: -62.916 flat angles C4'-P-C4' energy: -75.740 flat angles P-C4'-P energy: -45.757 tors. eta vs tors. theta energy: -93.382 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: 9 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1016.064867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.064867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.064867 (E_RNA) where: Base-Base interactions energy: -701.228 where: short stacking energy: -305.626 Base-Backbone interact. energy: -0.336 local terms energy: -314.500956 where: bonds (distance) C4'-P energy: -60.797 bonds (distance) P-C4' energy: -63.110 flat angles C4'-P-C4' energy: -66.187 flat angles P-C4'-P energy: -41.637 tors. eta vs tors. theta energy: -82.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -914.956158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.956158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.956158 (E_RNA) where: Base-Base interactions energy: -617.393 where: short stacking energy: -273.220 Base-Backbone interact. energy: -1.499 local terms energy: -296.064412 where: bonds (distance) C4'-P energy: -52.249 bonds (distance) P-C4' energy: -62.345 flat angles C4'-P-C4' energy: -67.154 flat angles P-C4'-P energy: -35.619 tors. eta vs tors. theta energy: -78.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -896.987844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.987844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.987844 (E_RNA) where: Base-Base interactions energy: -620.291 where: short stacking energy: -258.929 Base-Backbone interact. energy: 0.261 local terms energy: -276.957836 where: bonds (distance) C4'-P energy: -38.470 bonds (distance) P-C4' energy: -62.497 flat angles C4'-P-C4' energy: -65.498 flat angles P-C4'-P energy: -47.556 tors. eta vs tors. theta energy: -62.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -807.208627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.208627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.208627 (E_RNA) where: Base-Base interactions energy: -552.220 where: short stacking energy: -244.461 Base-Backbone interact. energy: -2.262 local terms energy: -252.726685 where: bonds (distance) C4'-P energy: -57.382 bonds (distance) P-C4' energy: -60.928 flat angles C4'-P-C4' energy: -52.188 flat angles P-C4'-P energy: -23.052 tors. eta vs tors. theta energy: -59.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -617.657198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.657198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.657198 (E_RNA) where: Base-Base interactions energy: -393.549 where: short stacking energy: -205.865 Base-Backbone interact. energy: -1.375 local terms energy: -222.733185 where: bonds (distance) C4'-P energy: -41.308 bonds (distance) P-C4' energy: -52.296 flat angles C4'-P-C4' energy: -60.120 flat angles P-C4'-P energy: -31.204 tors. eta vs tors. theta energy: -37.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -586.922306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.922306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.922306 (E_RNA) where: Base-Base interactions energy: -360.873 where: short stacking energy: -167.383 Base-Backbone interact. energy: 2.505 local terms energy: -228.553751 where: bonds (distance) C4'-P energy: -46.232 bonds (distance) P-C4' energy: -68.754 flat angles C4'-P-C4' energy: -49.463 flat angles P-C4'-P energy: -27.225 tors. eta vs tors. theta energy: -36.879 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: 10, replica: 2 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -490.993786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.993786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.993786 (E_RNA) where: Base-Base interactions energy: -277.056 where: short stacking energy: -127.487 Base-Backbone interact. energy: -1.962 local terms energy: -211.976255 where: bonds (distance) C4'-P energy: -57.714 bonds (distance) P-C4' energy: -51.742 flat angles C4'-P-C4' energy: -57.269 flat angles P-C4'-P energy: -26.917 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: 1, replica: 8 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1163.036112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.036112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.036112 (E_RNA) where: Base-Base interactions energy: -815.417 where: short stacking energy: -346.999 Base-Backbone interact. energy: -0.130 local terms energy: -347.488757 where: bonds (distance) C4'-P energy: -58.501 bonds (distance) P-C4' energy: -69.620 flat angles C4'-P-C4' energy: -69.206 flat angles P-C4'-P energy: -49.672 tors. eta vs tors. theta energy: -100.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1129.719143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.719143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.719143 (E_RNA) where: Base-Base interactions energy: -777.292 where: short stacking energy: -332.339 Base-Backbone interact. energy: -1.610 local terms energy: -350.817668 where: bonds (distance) C4'-P energy: -72.134 bonds (distance) P-C4' energy: -63.127 flat angles C4'-P-C4' energy: -63.407 flat angles P-C4'-P energy: -50.123 tors. eta vs tors. theta energy: -102.026 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: 3 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1097.227866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.227866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.227866 (E_RNA) where: Base-Base interactions energy: -734.788 where: short stacking energy: -346.252 Base-Backbone interact. energy: -0.884 local terms energy: -361.555287 where: bonds (distance) C4'-P energy: -61.539 bonds (distance) P-C4' energy: -66.128 flat angles C4'-P-C4' energy: -72.932 flat angles P-C4'-P energy: -53.564 tors. eta vs tors. theta energy: -107.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1008.560369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.560369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.560369 (E_RNA) where: Base-Base interactions energy: -696.288 where: short stacking energy: -286.408 Base-Backbone interact. energy: -1.752 local terms energy: -310.520614 where: bonds (distance) C4'-P energy: -60.973 bonds (distance) P-C4' energy: -61.035 flat angles C4'-P-C4' energy: -73.963 flat angles P-C4'-P energy: -39.914 tors. eta vs tors. theta energy: -74.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -944.009098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.009098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.009098 (E_RNA) where: Base-Base interactions energy: -633.349 where: short stacking energy: -276.581 Base-Backbone interact. energy: -0.277 local terms energy: -310.382937 where: bonds (distance) C4'-P energy: -59.340 bonds (distance) P-C4' energy: -56.351 flat angles C4'-P-C4' energy: -66.344 flat angles P-C4'-P energy: -46.658 tors. eta vs tors. theta energy: -81.690 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: 4 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -884.924944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.924944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.924944 (E_RNA) where: Base-Base interactions energy: -591.652 where: short stacking energy: -255.160 Base-Backbone interact. energy: -0.307 local terms energy: -292.965328 where: bonds (distance) C4'-P energy: -59.190 bonds (distance) P-C4' energy: -55.237 flat angles C4'-P-C4' energy: -55.311 flat angles P-C4'-P energy: -43.380 tors. eta vs tors. theta energy: -79.847 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: 296 Temperature: 1.200000 Total energy: -816.127721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.127721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.127721 (E_RNA) where: Base-Base interactions energy: -557.789 where: short stacking energy: -239.844 Base-Backbone interact. energy: 0.164 local terms energy: -258.502874 where: bonds (distance) C4'-P energy: -43.578 bonds (distance) P-C4' energy: -59.992 flat angles C4'-P-C4' energy: -64.447 flat angles P-C4'-P energy: -37.930 tors. eta vs tors. theta energy: -52.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -607.409222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.409222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.409222 (E_RNA) where: Base-Base interactions energy: -379.961 where: short stacking energy: -177.706 Base-Backbone interact. energy: -1.124 local terms energy: -226.324708 where: bonds (distance) C4'-P energy: -50.181 bonds (distance) P-C4' energy: -61.304 flat angles C4'-P-C4' energy: -52.584 flat angles P-C4'-P energy: -38.505 tors. eta vs tors. theta energy: -23.751 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: 2 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -524.693364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.693364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.693364 (E_RNA) where: Base-Base interactions energy: -317.972 where: short stacking energy: -152.649 Base-Backbone interact. energy: 1.505 local terms energy: -208.226735 where: bonds (distance) C4'-P energy: -51.200 bonds (distance) P-C4' energy: -45.109 flat angles C4'-P-C4' energy: -47.099 flat angles P-C4'-P energy: -40.815 tors. eta vs tors. theta energy: -24.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -564.490104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.490104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.490104 (E_RNA) where: Base-Base interactions energy: -352.301 where: short stacking energy: -158.901 Base-Backbone interact. energy: 0.523 local terms energy: -212.712237 where: bonds (distance) C4'-P energy: -50.429 bonds (distance) P-C4' energy: -55.350 flat angles C4'-P-C4' energy: -45.172 flat angles P-C4'-P energy: -31.505 tors. eta vs tors. theta energy: -30.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1146.904755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.904755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.904755 (E_RNA) where: Base-Base interactions energy: -797.380 where: short stacking energy: -339.996 Base-Backbone interact. energy: -1.831 local terms energy: -347.693711 where: bonds (distance) C4'-P energy: -66.354 bonds (distance) P-C4' energy: -64.767 flat angles C4'-P-C4' energy: -69.333 flat angles P-C4'-P energy: -47.768 tors. eta vs tors. theta energy: -99.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1123.627359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.627359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.627359 (E_RNA) where: Base-Base interactions energy: -778.031 where: short stacking energy: -359.562 Base-Backbone interact. energy: -0.426 local terms energy: -345.170769 where: bonds (distance) C4'-P energy: -53.823 bonds (distance) P-C4' energy: -64.227 flat angles C4'-P-C4' energy: -75.756 flat angles P-C4'-P energy: -44.949 tors. eta vs tors. theta energy: -106.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1121.141056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.141056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.141056 (E_RNA) where: Base-Base interactions energy: -776.347 where: short stacking energy: -321.903 Base-Backbone interact. energy: -1.087 local terms energy: -343.706283 where: bonds (distance) C4'-P energy: -52.390 bonds (distance) P-C4' energy: -67.158 flat angles C4'-P-C4' energy: -70.042 flat angles P-C4'-P energy: -52.275 tors. eta vs tors. theta energy: -101.841 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: 9 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -992.285047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.285047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.285047 (E_RNA) where: Base-Base interactions energy: -687.319 where: short stacking energy: -291.670 Base-Backbone interact. energy: -4.182 local terms energy: -300.784354 where: bonds (distance) C4'-P energy: -60.282 bonds (distance) P-C4' energy: -53.802 flat angles C4'-P-C4' energy: -67.649 flat angles P-C4'-P energy: -36.275 tors. eta vs tors. theta energy: -82.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -968.894425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.894425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.894425 (E_RNA) where: Base-Base interactions energy: -667.874 where: short stacking energy: -279.360 Base-Backbone interact. energy: -2.415 local terms energy: -298.605441 where: bonds (distance) C4'-P energy: -60.040 bonds (distance) P-C4' energy: -56.633 flat angles C4'-P-C4' energy: -60.920 flat angles P-C4'-P energy: -33.922 tors. eta vs tors. theta energy: -87.090 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: 4 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -913.248320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.248320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.248320 (E_RNA) where: Base-Base interactions energy: -629.980 where: short stacking energy: -269.423 Base-Backbone interact. energy: 2.163 local terms energy: -285.430705 where: bonds (distance) C4'-P energy: -56.112 bonds (distance) P-C4' energy: -59.335 flat angles C4'-P-C4' energy: -62.254 flat angles P-C4'-P energy: -37.995 tors. eta vs tors. theta energy: -69.735 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: 1 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -801.187859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.187859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.187859 (E_RNA) where: Base-Base interactions energy: -505.133 where: short stacking energy: -217.095 Base-Backbone interact. energy: -0.306 local terms energy: -295.749173 where: bonds (distance) C4'-P energy: -61.118 bonds (distance) P-C4' energy: -63.909 flat angles C4'-P-C4' energy: -63.671 flat angles P-C4'-P energy: -45.940 tors. eta vs tors. theta energy: -61.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -606.715872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.715872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.715872 (E_RNA) where: Base-Base interactions energy: -368.744 where: short stacking energy: -187.537 Base-Backbone interact. energy: -0.523 local terms energy: -237.448582 where: bonds (distance) C4'-P energy: -50.756 bonds (distance) P-C4' energy: -54.923 flat angles C4'-P-C4' energy: -58.167 flat angles P-C4'-P energy: -42.708 tors. eta vs tors. theta energy: -30.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -505.221526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.221526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.221526 (E_RNA) where: Base-Base interactions energy: -306.356 where: short stacking energy: -155.037 Base-Backbone interact. energy: -0.761 local terms energy: -198.104801 where: bonds (distance) C4'-P energy: -35.789 bonds (distance) P-C4' energy: -56.654 flat angles C4'-P-C4' energy: -50.792 flat angles P-C4'-P energy: -34.170 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: 10, replica: 5 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -547.467458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.467458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.467458 (E_RNA) where: Base-Base interactions energy: -315.136 where: short stacking energy: -149.144 Base-Backbone interact. energy: -0.466 local terms energy: -231.864862 where: bonds (distance) C4'-P energy: -50.260 bonds (distance) P-C4' energy: -61.774 flat angles C4'-P-C4' energy: -57.856 flat angles P-C4'-P energy: -35.616 tors. eta vs tors. theta energy: -26.359 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: 8 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1165.806570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.806570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.806570 (E_RNA) where: Base-Base interactions energy: -805.028 where: short stacking energy: -335.119 Base-Backbone interact. energy: -0.450 local terms energy: -360.328673 where: bonds (distance) C4'-P energy: -66.089 bonds (distance) P-C4' energy: -70.345 flat angles C4'-P-C4' energy: -75.814 flat angles P-C4'-P energy: -46.387 tors. eta vs tors. theta energy: -101.693 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: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1123.182994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.182994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.182994 (E_RNA) where: Base-Base interactions energy: -763.002 where: short stacking energy: -357.172 Base-Backbone interact. energy: -0.017 local terms energy: -360.164012 where: bonds (distance) C4'-P energy: -59.826 bonds (distance) P-C4' energy: -67.970 flat angles C4'-P-C4' energy: -72.730 flat angles P-C4'-P energy: -53.351 tors. eta vs tors. theta energy: -106.288 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: 10 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1114.057630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.057630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.057630 (E_RNA) where: Base-Base interactions energy: -777.248 where: short stacking energy: -320.678 Base-Backbone interact. energy: -0.997 local terms energy: -335.812721 where: bonds (distance) C4'-P energy: -60.202 bonds (distance) P-C4' energy: -64.416 flat angles C4'-P-C4' energy: -73.100 flat angles P-C4'-P energy: -45.643 tors. eta vs tors. theta energy: -92.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1004.270598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.270598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.270598 (E_RNA) where: Base-Base interactions energy: -690.905 where: short stacking energy: -298.270 Base-Backbone interact. energy: 0.167 local terms energy: -313.533015 where: bonds (distance) C4'-P energy: -54.545 bonds (distance) P-C4' energy: -57.777 flat angles C4'-P-C4' energy: -71.269 flat angles P-C4'-P energy: -46.863 tors. eta vs tors. theta energy: -83.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -888.815124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.815124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.815124 (E_RNA) where: Base-Base interactions energy: -631.476 where: short stacking energy: -269.342 Base-Backbone interact. energy: -1.281 local terms energy: -256.058627 where: bonds (distance) C4'-P energy: -48.604 bonds (distance) P-C4' energy: -57.418 flat angles C4'-P-C4' energy: -51.963 flat angles P-C4'-P energy: -28.588 tors. eta vs tors. theta energy: -69.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -888.531370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.531370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.531370 (E_RNA) where: Base-Base interactions energy: -610.790 where: short stacking energy: -254.907 Base-Backbone interact. energy: -0.010 local terms energy: -277.732053 where: bonds (distance) C4'-P energy: -59.496 bonds (distance) P-C4' energy: -57.184 flat angles C4'-P-C4' energy: -68.117 flat angles P-C4'-P energy: -28.632 tors. eta vs tors. theta energy: -64.302 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: 1 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -819.396464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.396464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.396464 (E_RNA) where: Base-Base interactions energy: -547.834 where: short stacking energy: -255.013 Base-Backbone interact. energy: -0.572 local terms energy: -270.990146 where: bonds (distance) C4'-P energy: -42.437 bonds (distance) P-C4' energy: -61.767 flat angles C4'-P-C4' energy: -58.389 flat angles P-C4'-P energy: -37.135 tors. eta vs tors. theta energy: -71.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -577.825157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.825157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.825157 (E_RNA) where: Base-Base interactions energy: -358.020 where: short stacking energy: -168.982 Base-Backbone interact. energy: 3.116 local terms energy: -222.921743 where: bonds (distance) C4'-P energy: -51.198 bonds (distance) P-C4' energy: -56.953 flat angles C4'-P-C4' energy: -54.210 flat angles P-C4'-P energy: -36.838 tors. eta vs tors. theta energy: -23.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -533.993881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.993881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.993881 (E_RNA) where: Base-Base interactions energy: -338.641 where: short stacking energy: -166.362 Base-Backbone interact. energy: 0.289 local terms energy: -195.642609 where: bonds (distance) C4'-P energy: -36.922 bonds (distance) P-C4' energy: -47.814 flat angles C4'-P-C4' energy: -52.012 flat angles P-C4'-P energy: -36.938 tors. eta vs tors. theta energy: -21.957 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: 5 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -531.798124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.798124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.798124 (E_RNA) where: Base-Base interactions energy: -331.221 where: short stacking energy: -124.634 Base-Backbone interact. energy: 6.288 local terms energy: -206.865081 where: bonds (distance) C4'-P energy: -59.545 bonds (distance) P-C4' energy: -69.205 flat angles C4'-P-C4' energy: -41.837 flat angles P-C4'-P energy: -19.401 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: 1, replica: 8 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1171.007413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.007413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.007413 (E_RNA) where: Base-Base interactions energy: -806.696 where: short stacking energy: -340.286 Base-Backbone interact. energy: -3.831 local terms energy: -360.480793 where: bonds (distance) C4'-P energy: -66.046 bonds (distance) P-C4' energy: -68.473 flat angles C4'-P-C4' energy: -74.739 flat angles P-C4'-P energy: -49.197 tors. eta vs tors. theta energy: -102.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1116.254832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.254832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.254832 (E_RNA) where: Base-Base interactions energy: -761.194 where: short stacking energy: -343.561 Base-Backbone interact. energy: -0.791 local terms energy: -354.269907 where: bonds (distance) C4'-P energy: -68.437 bonds (distance) P-C4' energy: -60.082 flat angles C4'-P-C4' energy: -71.278 flat angles P-C4'-P energy: -49.605 tors. eta vs tors. theta energy: -104.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1100.196780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.196780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.196780 (E_RNA) where: Base-Base interactions energy: -768.581 where: short stacking energy: -318.300 Base-Backbone interact. energy: -1.365 local terms energy: -330.250624 where: bonds (distance) C4'-P energy: -65.062 bonds (distance) P-C4' energy: -63.678 flat angles C4'-P-C4' energy: -70.525 flat angles P-C4'-P energy: -38.402 tors. eta vs tors. theta energy: -92.584 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: 299 Temperature: 1.050000 Total energy: -1019.773307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.773307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.773307 (E_RNA) where: Base-Base interactions energy: -717.608 where: short stacking energy: -305.542 Base-Backbone interact. energy: -1.085 local terms energy: -301.079645 where: bonds (distance) C4'-P energy: -53.751 bonds (distance) P-C4' energy: -54.907 flat angles C4'-P-C4' energy: -62.158 flat angles P-C4'-P energy: -45.084 tors. eta vs tors. theta energy: -85.181 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: 299 Temperature: 1.100000 Total energy: -907.715008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.715008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.715008 (E_RNA) where: Base-Base interactions energy: -622.762 where: short stacking energy: -261.540 Base-Backbone interact. energy: -2.649 local terms energy: -282.303545 where: bonds (distance) C4'-P energy: -58.019 bonds (distance) P-C4' energy: -49.018 flat angles C4'-P-C4' energy: -72.656 flat angles P-C4'-P energy: -35.589 tors. eta vs tors. theta energy: -67.021 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: 4 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -902.076989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.076989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.076989 (E_RNA) where: Base-Base interactions energy: -611.411 where: short stacking energy: -265.410 Base-Backbone interact. energy: -0.582 local terms energy: -290.084716 where: bonds (distance) C4'-P energy: -63.306 bonds (distance) P-C4' energy: -56.788 flat angles C4'-P-C4' energy: -60.599 flat angles P-C4'-P energy: -33.924 tors. eta vs tors. theta energy: -75.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -826.704195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.704195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.704195 (E_RNA) where: Base-Base interactions energy: -549.655 where: short stacking energy: -222.248 Base-Backbone interact. energy: -0.485 local terms energy: -276.563626 where: bonds (distance) C4'-P energy: -65.047 bonds (distance) P-C4' energy: -45.611 flat angles C4'-P-C4' energy: -67.685 flat angles P-C4'-P energy: -38.018 tors. eta vs tors. theta energy: -60.203 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: 299 Temperature: 1.250000 Total energy: -621.026761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.026761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.026761 (E_RNA) where: Base-Base interactions energy: -386.694 where: short stacking energy: -184.643 Base-Backbone interact. energy: -1.773 local terms energy: -232.559568 where: bonds (distance) C4'-P energy: -52.491 bonds (distance) P-C4' energy: -60.052 flat angles C4'-P-C4' energy: -63.963 flat angles P-C4'-P energy: -38.582 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: 9, replica: 2 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -519.637380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.637380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.637380 (E_RNA) where: Base-Base interactions energy: -306.373 where: short stacking energy: -158.551 Base-Backbone interact. energy: 0.215 local terms energy: -213.479428 where: bonds (distance) C4'-P energy: -48.604 bonds (distance) P-C4' energy: -64.881 flat angles C4'-P-C4' energy: -52.329 flat angles P-C4'-P energy: -27.297 tors. eta vs tors. theta energy: -20.368 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: 5 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -556.910146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.910146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.910146 (E_RNA) where: Base-Base interactions energy: -344.977 where: short stacking energy: -175.902 Base-Backbone interact. energy: 1.601 local terms energy: -213.534167 where: bonds (distance) C4'-P energy: -58.546 bonds (distance) P-C4' energy: -46.326 flat angles C4'-P-C4' energy: -50.342 flat angles P-C4'-P energy: -13.596 tors. eta vs tors. theta energy: -44.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1168.502260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.502260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.502260 (E_RNA) where: Base-Base interactions energy: -812.598 where: short stacking energy: -349.673 Base-Backbone interact. energy: -3.212 local terms energy: -352.692849 where: bonds (distance) C4'-P energy: -60.573 bonds (distance) P-C4' energy: -69.887 flat angles C4'-P-C4' energy: -68.651 flat angles P-C4'-P energy: -52.728 tors. eta vs tors. theta energy: -100.854 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: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1120.037932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.037932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.037932 (E_RNA) where: Base-Base interactions energy: -770.152 where: short stacking energy: -360.029 Base-Backbone interact. energy: 0.734 local terms energy: -350.620034 where: bonds (distance) C4'-P energy: -58.554 bonds (distance) P-C4' energy: -62.033 flat angles C4'-P-C4' energy: -69.325 flat angles P-C4'-P energy: -51.611 tors. eta vs tors. theta energy: -109.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1125.862304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.862304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.862304 (E_RNA) where: Base-Base interactions energy: -794.429 where: short stacking energy: -319.653 Base-Backbone interact. energy: -1.883 local terms energy: -329.549795 where: bonds (distance) C4'-P energy: -57.068 bonds (distance) P-C4' energy: -68.166 flat angles C4'-P-C4' energy: -66.582 flat angles P-C4'-P energy: -45.760 tors. eta vs tors. theta energy: -91.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1004.177211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.177211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.177211 (E_RNA) where: Base-Base interactions energy: -690.329 where: short stacking energy: -288.201 Base-Backbone interact. energy: -2.382 local terms energy: -311.466672 where: bonds (distance) C4'-P energy: -60.052 bonds (distance) P-C4' energy: -59.276 flat angles C4'-P-C4' energy: -68.355 flat angles P-C4'-P energy: -41.811 tors. eta vs tors. theta energy: -81.973 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: 5, replica: 4 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -912.789949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.789949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.789949 (E_RNA) where: Base-Base interactions energy: -613.849 where: short stacking energy: -273.036 Base-Backbone interact. energy: -3.481 local terms energy: -295.460335 where: bonds (distance) C4'-P energy: -61.637 bonds (distance) P-C4' energy: -50.514 flat angles C4'-P-C4' energy: -64.557 flat angles P-C4'-P energy: -43.871 tors. eta vs tors. theta energy: -74.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -898.042993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.042993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.042993 (E_RNA) where: Base-Base interactions energy: -611.488 where: short stacking energy: -258.786 Base-Backbone interact. energy: -1.583 local terms energy: -284.972009 where: bonds (distance) C4'-P energy: -65.240 bonds (distance) P-C4' energy: -52.894 flat angles C4'-P-C4' energy: -57.371 flat angles P-C4'-P energy: -35.704 tors. eta vs tors. theta energy: -73.764 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: 1 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -829.230573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.230573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.230573 (E_RNA) where: Base-Base interactions energy: -553.614 where: short stacking energy: -229.716 Base-Backbone interact. energy: -1.264 local terms energy: -274.353089 where: bonds (distance) C4'-P energy: -59.700 bonds (distance) P-C4' energy: -52.228 flat angles C4'-P-C4' energy: -63.608 flat angles P-C4'-P energy: -37.397 tors. eta vs tors. theta energy: -61.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -615.420990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.420990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.420990 (E_RNA) where: Base-Base interactions energy: -413.395 where: short stacking energy: -187.907 Base-Backbone interact. energy: -0.298 local terms energy: -201.727779 where: bonds (distance) C4'-P energy: -52.806 bonds (distance) P-C4' energy: -40.296 flat angles C4'-P-C4' energy: -55.127 flat angles P-C4'-P energy: -23.569 tors. eta vs tors. theta energy: -29.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -651.219687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.219687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.219687 (E_RNA) where: Base-Base interactions energy: -422.212 where: short stacking energy: -186.744 Base-Backbone interact. energy: -0.350 local terms energy: -228.657141 where: bonds (distance) C4'-P energy: -44.866 bonds (distance) P-C4' energy: -44.315 flat angles C4'-P-C4' energy: -59.295 flat angles P-C4'-P energy: -40.941 tors. eta vs tors. theta energy: -39.240 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: 2 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -488.070915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.070915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.070915 (E_RNA) where: Base-Base interactions energy: -289.408 where: short stacking energy: -137.191 Base-Backbone interact. energy: 0.915 local terms energy: -199.578800 where: bonds (distance) C4'-P energy: -49.606 bonds (distance) P-C4' energy: -52.889 flat angles C4'-P-C4' energy: -43.504 flat angles P-C4'-P energy: -38.957 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: 1, replica: 8 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1163.178163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.178163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.178163 (E_RNA) where: Base-Base interactions energy: -807.231 where: short stacking energy: -350.055 Base-Backbone interact. energy: -1.830 local terms energy: -354.117488 where: bonds (distance) C4'-P energy: -71.902 bonds (distance) P-C4' energy: -55.798 flat angles C4'-P-C4' energy: -74.348 flat angles P-C4'-P energy: -49.049 tors. eta vs tors. theta energy: -103.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1147.607155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.607155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.607155 (E_RNA) where: Base-Base interactions energy: -798.041 where: short stacking energy: -348.740 Base-Backbone interact. energy: -0.136 local terms energy: -349.429755 where: bonds (distance) C4'-P energy: -70.398 bonds (distance) P-C4' energy: -68.475 flat angles C4'-P-C4' energy: -70.961 flat angles P-C4'-P energy: -43.155 tors. eta vs tors. theta energy: -96.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1086.385862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.385862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.385862 (E_RNA) where: Base-Base interactions energy: -743.302 where: short stacking energy: -339.001 Base-Backbone interact. energy: 0.358 local terms energy: -343.442069 where: bonds (distance) C4'-P energy: -61.713 bonds (distance) P-C4' energy: -63.184 flat angles C4'-P-C4' energy: -67.685 flat angles P-C4'-P energy: -55.371 tors. eta vs tors. theta energy: -95.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1038.548173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.548173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.548173 (E_RNA) where: Base-Base interactions energy: -711.986 where: short stacking energy: -296.962 Base-Backbone interact. energy: -0.624 local terms energy: -325.937967 where: bonds (distance) C4'-P energy: -63.664 bonds (distance) P-C4' energy: -67.518 flat angles C4'-P-C4' energy: -60.605 flat angles P-C4'-P energy: -46.603 tors. eta vs tors. theta energy: -87.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -911.222495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.222495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.222495 (E_RNA) where: Base-Base interactions energy: -611.188 where: short stacking energy: -260.535 Base-Backbone interact. energy: 2.002 local terms energy: -302.037127 where: bonds (distance) C4'-P energy: -59.444 bonds (distance) P-C4' energy: -66.542 flat angles C4'-P-C4' energy: -66.532 flat angles P-C4'-P energy: -43.290 tors. eta vs tors. theta energy: -66.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -889.992420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.992420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.992420 (E_RNA) where: Base-Base interactions energy: -596.220 where: short stacking energy: -251.931 Base-Backbone interact. energy: -1.891 local terms energy: -291.881125 where: bonds (distance) C4'-P energy: -57.222 bonds (distance) P-C4' energy: -57.035 flat angles C4'-P-C4' energy: -58.936 flat angles P-C4'-P energy: -47.653 tors. eta vs tors. theta energy: -71.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -785.634631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.634631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.634631 (E_RNA) where: Base-Base interactions energy: -510.647 where: short stacking energy: -242.295 Base-Backbone interact. energy: 0.935 local terms energy: -275.922844 where: bonds (distance) C4'-P energy: -56.698 bonds (distance) P-C4' energy: -60.913 flat angles C4'-P-C4' energy: -55.992 flat angles P-C4'-P energy: -45.304 tors. eta vs tors. theta energy: -57.016 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: 5 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -680.738534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.738534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.738534 (E_RNA) where: Base-Base interactions energy: -436.224 where: short stacking energy: -202.176 Base-Backbone interact. energy: -0.838 local terms energy: -243.676465 where: bonds (distance) C4'-P energy: -46.361 bonds (distance) P-C4' energy: -58.383 flat angles C4'-P-C4' energy: -54.495 flat angles P-C4'-P energy: -37.524 tors. eta vs tors. theta energy: -46.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -571.089059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.089059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.089059 (E_RNA) where: Base-Base interactions energy: -346.824 where: short stacking energy: -146.913 Base-Backbone interact. energy: -2.623 local terms energy: -221.642390 where: bonds (distance) C4'-P energy: -60.199 bonds (distance) P-C4' energy: -52.887 flat angles C4'-P-C4' energy: -48.497 flat angles P-C4'-P energy: -32.955 tors. eta vs tors. theta energy: -27.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -439.895140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.895140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.895140 (E_RNA) where: Base-Base interactions energy: -239.295 where: short stacking energy: -134.703 Base-Backbone interact. energy: 0.193 local terms energy: -200.793666 where: bonds (distance) C4'-P energy: -58.050 bonds (distance) P-C4' energy: -49.633 flat angles C4'-P-C4' energy: -55.344 flat angles P-C4'-P energy: -17.115 tors. eta vs tors. theta energy: -20.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1166.893422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.893422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.893422 (E_RNA) where: Base-Base interactions energy: -818.257 where: short stacking energy: -335.410 Base-Backbone interact. energy: -0.040 local terms energy: -348.595635 where: bonds (distance) C4'-P energy: -63.057 bonds (distance) P-C4' energy: -64.010 flat angles C4'-P-C4' energy: -72.702 flat angles P-C4'-P energy: -48.514 tors. eta vs tors. theta energy: -100.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1157.141554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.141554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.141554 (E_RNA) where: Base-Base interactions energy: -797.403 where: short stacking energy: -321.491 Base-Backbone interact. energy: -1.358 local terms energy: -358.380477 where: bonds (distance) C4'-P energy: -57.701 bonds (distance) P-C4' energy: -72.166 flat angles C4'-P-C4' energy: -75.027 flat angles P-C4'-P energy: -54.307 tors. eta vs tors. theta energy: -99.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1104.465853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.465853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.465853 (E_RNA) where: Base-Base interactions energy: -757.843 where: short stacking energy: -356.079 Base-Backbone interact. energy: -1.102 local terms energy: -345.521111 where: bonds (distance) C4'-P energy: -58.608 bonds (distance) P-C4' energy: -66.790 flat angles C4'-P-C4' energy: -70.965 flat angles P-C4'-P energy: -45.256 tors. eta vs tors. theta energy: -103.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1010.473852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.473852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.473852 (E_RNA) where: Base-Base interactions energy: -705.548 where: short stacking energy: -300.462 Base-Backbone interact. energy: -1.879 local terms energy: -303.046033 where: bonds (distance) C4'-P energy: -54.397 bonds (distance) P-C4' energy: -56.912 flat angles C4'-P-C4' energy: -73.414 flat angles P-C4'-P energy: -31.505 tors. eta vs tors. theta energy: -86.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -903.535446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.535446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.535446 (E_RNA) where: Base-Base interactions energy: -620.208 where: short stacking energy: -280.666 Base-Backbone interact. energy: -1.819 local terms energy: -281.508968 where: bonds (distance) C4'-P energy: -49.154 bonds (distance) P-C4' energy: -60.410 flat angles C4'-P-C4' energy: -64.595 flat angles P-C4'-P energy: -38.999 tors. eta vs tors. theta energy: -68.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -847.644360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.644360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.644360 (E_RNA) where: Base-Base interactions energy: -572.155 where: short stacking energy: -244.704 Base-Backbone interact. energy: -2.186 local terms energy: -273.303400 where: bonds (distance) C4'-P energy: -58.234 bonds (distance) P-C4' energy: -57.285 flat angles C4'-P-C4' energy: -61.055 flat angles P-C4'-P energy: -41.705 tors. eta vs tors. theta energy: -55.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -811.856612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.856612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.856612 (E_RNA) where: Base-Base interactions energy: -528.544 where: short stacking energy: -232.905 Base-Backbone interact. energy: -0.961 local terms energy: -282.351820 where: bonds (distance) C4'-P energy: -46.750 bonds (distance) P-C4' energy: -62.624 flat angles C4'-P-C4' energy: -65.410 flat angles P-C4'-P energy: -38.597 tors. eta vs tors. theta energy: -68.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -706.168515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.168515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.168515 (E_RNA) where: Base-Base interactions energy: -453.352 where: short stacking energy: -197.047 Base-Backbone interact. energy: -0.342 local terms energy: -252.473634 where: bonds (distance) C4'-P energy: -57.773 bonds (distance) P-C4' energy: -61.052 flat angles C4'-P-C4' energy: -54.945 flat angles P-C4'-P energy: -44.020 tors. eta vs tors. theta energy: -34.684 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: 7 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -530.621711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.621711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.621711 (E_RNA) where: Base-Base interactions energy: -323.168 where: short stacking energy: -162.761 Base-Backbone interact. energy: -1.253 local terms energy: -206.201082 where: bonds (distance) C4'-P energy: -46.784 bonds (distance) P-C4' energy: -61.032 flat angles C4'-P-C4' energy: -54.804 flat angles P-C4'-P energy: -25.635 tors. eta vs tors. theta energy: -17.946 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: 2 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -446.689765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.689765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.689765 (E_RNA) where: Base-Base interactions energy: -255.423 where: short stacking energy: -138.123 Base-Backbone interact. energy: 1.463 local terms energy: -192.728937 where: bonds (distance) C4'-P energy: -41.031 bonds (distance) P-C4' energy: -49.437 flat angles C4'-P-C4' energy: -51.293 flat angles P-C4'-P energy: -39.786 tors. eta vs tors. theta energy: -11.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1163.072599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.072599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.072599 (E_RNA) where: Base-Base interactions energy: -809.558 where: short stacking energy: -346.644 Base-Backbone interact. energy: 0.200 local terms energy: -353.713998 where: bonds (distance) C4'-P energy: -60.167 bonds (distance) P-C4' energy: -69.916 flat angles C4'-P-C4' energy: -76.929 flat angles P-C4'-P energy: -52.223 tors. eta vs tors. theta energy: -94.479 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: 2, replica: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1166.178087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.178087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.178087 (E_RNA) where: Base-Base interactions energy: -805.321 where: short stacking energy: -350.121 Base-Backbone interact. energy: -2.433 local terms energy: -358.423618 where: bonds (distance) C4'-P energy: -57.892 bonds (distance) P-C4' energy: -75.116 flat angles C4'-P-C4' energy: -67.814 flat angles P-C4'-P energy: -54.477 tors. eta vs tors. theta energy: -103.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1090.354165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.354165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.354165 (E_RNA) where: Base-Base interactions energy: -769.529 where: short stacking energy: -345.567 Base-Backbone interact. energy: -0.513 local terms energy: -320.312774 where: bonds (distance) C4'-P energy: -60.673 bonds (distance) P-C4' energy: -44.392 flat angles C4'-P-C4' energy: -69.249 flat angles P-C4'-P energy: -43.532 tors. eta vs tors. theta energy: -102.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1009.208903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.208903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.208903 (E_RNA) where: Base-Base interactions energy: -708.062 where: short stacking energy: -299.336 Base-Backbone interact. energy: -2.074 local terms energy: -299.072843 where: bonds (distance) C4'-P energy: -56.876 bonds (distance) P-C4' energy: -58.878 flat angles C4'-P-C4' energy: -72.834 flat angles P-C4'-P energy: -31.098 tors. eta vs tors. theta energy: -79.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -894.809012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.809012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.809012 (E_RNA) where: Base-Base interactions energy: -600.826 where: short stacking energy: -275.524 Base-Backbone interact. energy: -0.412 local terms energy: -293.571623 where: bonds (distance) C4'-P energy: -68.798 bonds (distance) P-C4' energy: -50.303 flat angles C4'-P-C4' energy: -66.392 flat angles P-C4'-P energy: -37.456 tors. eta vs tors. theta energy: -70.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -885.141840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.141840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.141840 (E_RNA) where: Base-Base interactions energy: -590.504 where: short stacking energy: -266.245 Base-Backbone interact. energy: -1.677 local terms energy: -292.961033 where: bonds (distance) C4'-P energy: -60.000 bonds (distance) P-C4' energy: -54.559 flat angles C4'-P-C4' energy: -59.356 flat angles P-C4'-P energy: -44.955 tors. eta vs tors. theta energy: -74.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -781.446840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.446840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.446840 (E_RNA) where: Base-Base interactions energy: -506.334 where: short stacking energy: -218.060 Base-Backbone interact. energy: -2.147 local terms energy: -272.965869 where: bonds (distance) C4'-P energy: -51.255 bonds (distance) P-C4' energy: -55.415 flat angles C4'-P-C4' energy: -61.419 flat angles P-C4'-P energy: -45.962 tors. eta vs tors. theta energy: -58.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -735.114419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.114419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.114419 (E_RNA) where: Base-Base interactions energy: -480.477 where: short stacking energy: -205.911 Base-Backbone interact. energy: 1.335 local terms energy: -255.972906 where: bonds (distance) C4'-P energy: -54.767 bonds (distance) P-C4' energy: -54.253 flat angles C4'-P-C4' energy: -67.823 flat angles P-C4'-P energy: -32.251 tors. eta vs tors. theta energy: -46.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -572.673325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.673325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.673325 (E_RNA) where: Base-Base interactions energy: -350.122 where: short stacking energy: -155.111 Base-Backbone interact. energy: -1.530 local terms energy: -221.021027 where: bonds (distance) C4'-P energy: -67.866 bonds (distance) P-C4' energy: -56.685 flat angles C4'-P-C4' energy: -45.925 flat angles P-C4'-P energy: -28.537 tors. eta vs tors. theta energy: -22.009 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: 2 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -459.028946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.028946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.028946 (E_RNA) where: Base-Base interactions energy: -261.126 where: short stacking energy: -115.386 Base-Backbone interact. energy: -1.319 local terms energy: -196.584184 where: bonds (distance) C4'-P energy: -49.857 bonds (distance) P-C4' energy: -63.341 flat angles C4'-P-C4' energy: -40.318 flat angles P-C4'-P energy: -34.068 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: 1, replica: 10 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1162.772047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.772047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.772047 (E_RNA) where: Base-Base interactions energy: -787.988 where: short stacking energy: -355.820 Base-Backbone interact. energy: -2.255 local terms energy: -372.529083 where: bonds (distance) C4'-P energy: -72.441 bonds (distance) P-C4' energy: -66.595 flat angles C4'-P-C4' energy: -79.240 flat angles P-C4'-P energy: -47.850 tors. eta vs tors. theta energy: -106.402 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: 8 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1159.983767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.983767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.983767 (E_RNA) where: Base-Base interactions energy: -809.277 where: short stacking energy: -343.820 Base-Backbone interact. energy: -0.152 local terms energy: -350.553962 where: bonds (distance) C4'-P energy: -64.022 bonds (distance) P-C4' energy: -62.374 flat angles C4'-P-C4' energy: -76.395 flat angles P-C4'-P energy: -43.717 tors. eta vs tors. theta energy: -104.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1083.214466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.214466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.214466 (E_RNA) where: Base-Base interactions energy: -730.978 where: short stacking energy: -318.373 Base-Backbone interact. energy: -1.574 local terms energy: -350.662108 where: bonds (distance) C4'-P energy: -56.083 bonds (distance) P-C4' energy: -69.937 flat angles C4'-P-C4' energy: -73.538 flat angles P-C4'-P energy: -53.152 tors. eta vs tors. theta energy: -97.952 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: 9 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1001.263495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.263495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.263495 (E_RNA) where: Base-Base interactions energy: -697.894 where: short stacking energy: -284.366 Base-Backbone interact. energy: 6.794 local terms energy: -310.162788 where: bonds (distance) C4'-P energy: -63.106 bonds (distance) P-C4' energy: -60.844 flat angles C4'-P-C4' energy: -62.810 flat angles P-C4'-P energy: -39.397 tors. eta vs tors. theta energy: -84.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -870.141395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.141395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.141395 (E_RNA) where: Base-Base interactions energy: -570.189 where: short stacking energy: -260.585 Base-Backbone interact. energy: -0.422 local terms energy: -299.530266 where: bonds (distance) C4'-P energy: -56.637 bonds (distance) P-C4' energy: -67.361 flat angles C4'-P-C4' energy: -61.270 flat angles P-C4'-P energy: -46.480 tors. eta vs tors. theta energy: -67.782 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: 1 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -864.882610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.882610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.882610 (E_RNA) where: Base-Base interactions energy: -572.357 where: short stacking energy: -252.625 Base-Backbone interact. energy: -1.314 local terms energy: -291.211766 where: bonds (distance) C4'-P energy: -56.048 bonds (distance) P-C4' energy: -56.496 flat angles C4'-P-C4' energy: -57.941 flat angles P-C4'-P energy: -43.049 tors. eta vs tors. theta energy: -77.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -806.062463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.062463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.062463 (E_RNA) where: Base-Base interactions energy: -505.109 where: short stacking energy: -230.581 Base-Backbone interact. energy: 0.547 local terms energy: -301.500878 where: bonds (distance) C4'-P energy: -67.695 bonds (distance) P-C4' energy: -72.619 flat angles C4'-P-C4' energy: -53.507 flat angles P-C4'-P energy: -45.314 tors. eta vs tors. theta energy: -62.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -807.745258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.745258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.745258 (E_RNA) where: Base-Base interactions energy: -531.581 where: short stacking energy: -224.578 Base-Backbone interact. energy: -1.199 local terms energy: -274.965644 where: bonds (distance) C4'-P energy: -51.479 bonds (distance) P-C4' energy: -62.755 flat angles C4'-P-C4' energy: -57.467 flat angles P-C4'-P energy: -42.159 tors. eta vs tors. theta energy: -61.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -553.032717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.032717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.032717 (E_RNA) where: Base-Base interactions energy: -344.687 where: short stacking energy: -159.457 Base-Backbone interact. energy: 0.200 local terms energy: -208.545617 where: bonds (distance) C4'-P energy: -53.868 bonds (distance) P-C4' energy: -52.663 flat angles C4'-P-C4' energy: -46.226 flat angles P-C4'-P energy: -38.383 tors. eta vs tors. theta energy: -17.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -456.650532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.650532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.650532 (E_RNA) where: Base-Base interactions energy: -274.100 where: short stacking energy: -132.472 Base-Backbone interact. energy: 1.074 local terms energy: -183.623943 where: bonds (distance) C4'-P energy: -50.557 bonds (distance) P-C4' energy: -53.018 flat angles C4'-P-C4' energy: -30.433 flat angles P-C4'-P energy: -41.554 tors. eta vs tors. theta energy: -8.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1168.731240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.731240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.731240 (E_RNA) where: Base-Base interactions energy: -823.829 where: short stacking energy: -337.391 Base-Backbone interact. energy: -1.897 local terms energy: -343.005989 where: bonds (distance) C4'-P energy: -65.152 bonds (distance) P-C4' energy: -65.495 flat angles C4'-P-C4' energy: -70.912 flat angles P-C4'-P energy: -45.082 tors. eta vs tors. theta energy: -96.365 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: 8 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1190.712567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.712567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.712567 (E_RNA) where: Base-Base interactions energy: -821.764 where: short stacking energy: -338.713 Base-Backbone interact. energy: -1.102 local terms energy: -367.846698 where: bonds (distance) C4'-P energy: -64.232 bonds (distance) P-C4' energy: -71.562 flat angles C4'-P-C4' energy: -77.516 flat angles P-C4'-P energy: -51.241 tors. eta vs tors. theta energy: -103.296 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: 3, replica: 3 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1063.554918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.554918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.554918 (E_RNA) where: Base-Base interactions energy: -732.995 where: short stacking energy: -328.952 Base-Backbone interact. energy: -1.830 local terms energy: -328.729953 where: bonds (distance) C4'-P energy: -53.829 bonds (distance) P-C4' energy: -54.068 flat angles C4'-P-C4' energy: -70.176 flat angles P-C4'-P energy: -46.197 tors. eta vs tors. theta energy: -104.460 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: 305 Temperature: 1.050000 Total energy: -1003.317031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.317031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.317031 (E_RNA) where: Base-Base interactions energy: -701.692 where: short stacking energy: -293.297 Base-Backbone interact. energy: 0.333 local terms energy: -301.958676 where: bonds (distance) C4'-P energy: -57.169 bonds (distance) P-C4' energy: -62.882 flat angles C4'-P-C4' energy: -62.498 flat angles P-C4'-P energy: -45.025 tors. eta vs tors. theta energy: -74.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -882.588733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.588733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.588733 (E_RNA) where: Base-Base interactions energy: -575.370 where: short stacking energy: -265.368 Base-Backbone interact. energy: -0.131 local terms energy: -307.088174 where: bonds (distance) C4'-P energy: -60.368 bonds (distance) P-C4' energy: -68.059 flat angles C4'-P-C4' energy: -63.312 flat angles P-C4'-P energy: -33.662 tors. eta vs tors. theta energy: -81.688 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: 305 Temperature: 1.150000 Total energy: -837.931737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.931737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.931737 (E_RNA) where: Base-Base interactions energy: -563.562 where: short stacking energy: -245.025 Base-Backbone interact. energy: -2.270 local terms energy: -272.099216 where: bonds (distance) C4'-P energy: -62.534 bonds (distance) P-C4' energy: -54.075 flat angles C4'-P-C4' energy: -57.187 flat angles P-C4'-P energy: -46.555 tors. eta vs tors. theta energy: -51.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -794.462221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.462221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.462221 (E_RNA) where: Base-Base interactions energy: -522.800 where: short stacking energy: -244.451 Base-Backbone interact. energy: -2.378 local terms energy: -269.284575 where: bonds (distance) C4'-P energy: -51.595 bonds (distance) P-C4' energy: -51.539 flat angles C4'-P-C4' energy: -60.639 flat angles P-C4'-P energy: -36.296 tors. eta vs tors. theta energy: -69.217 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: 6 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -833.195642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.195642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.195642 (E_RNA) where: Base-Base interactions energy: -564.701 where: short stacking energy: -236.487 Base-Backbone interact. energy: 0.607 local terms energy: -269.102545 where: bonds (distance) C4'-P energy: -51.075 bonds (distance) P-C4' energy: -54.642 flat angles C4'-P-C4' energy: -61.668 flat angles P-C4'-P energy: -34.630 tors. eta vs tors. theta energy: -67.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -566.968759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.968759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.968759 (E_RNA) where: Base-Base interactions energy: -354.107 where: short stacking energy: -164.060 Base-Backbone interact. energy: 0.689 local terms energy: -213.551337 where: bonds (distance) C4'-P energy: -54.059 bonds (distance) P-C4' energy: -53.251 flat angles C4'-P-C4' energy: -53.964 flat angles P-C4'-P energy: -33.651 tors. eta vs tors. theta energy: -18.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -487.773692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.773692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.773692 (E_RNA) where: Base-Base interactions energy: -271.996 where: short stacking energy: -128.398 Base-Backbone interact. energy: -0.599 local terms energy: -215.178597 where: bonds (distance) C4'-P energy: -53.705 bonds (distance) P-C4' energy: -57.212 flat angles C4'-P-C4' energy: -49.491 flat angles P-C4'-P energy: -33.475 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: 1, replica: 10 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1170.376033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.376033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.376033 (E_RNA) where: Base-Base interactions energy: -811.109 where: short stacking energy: -341.952 Base-Backbone interact. energy: -1.839 local terms energy: -357.427597 where: bonds (distance) C4'-P energy: -65.815 bonds (distance) P-C4' energy: -64.256 flat angles C4'-P-C4' energy: -73.772 flat angles P-C4'-P energy: -49.523 tors. eta vs tors. theta energy: -104.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1173.411798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.411798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.411798 (E_RNA) where: Base-Base interactions energy: -831.984 where: short stacking energy: -348.613 Base-Backbone interact. energy: -1.554 local terms energy: -339.873420 where: bonds (distance) C4'-P energy: -62.032 bonds (distance) P-C4' energy: -58.636 flat angles C4'-P-C4' energy: -66.242 flat angles P-C4'-P energy: -49.899 tors. eta vs tors. theta energy: -103.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1057.438079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.438079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.438079 (E_RNA) where: Base-Base interactions energy: -728.114 where: short stacking energy: -316.622 Base-Backbone interact. energy: -0.819 local terms energy: -328.504392 where: bonds (distance) C4'-P energy: -52.814 bonds (distance) P-C4' energy: -59.302 flat angles C4'-P-C4' energy: -68.678 flat angles P-C4'-P energy: -47.464 tors. eta vs tors. theta energy: -100.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1012.030673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.030673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.030673 (E_RNA) where: Base-Base interactions energy: -689.143 where: short stacking energy: -305.078 Base-Backbone interact. energy: -2.432 local terms energy: -320.455499 where: bonds (distance) C4'-P energy: -60.254 bonds (distance) P-C4' energy: -68.827 flat angles C4'-P-C4' energy: -68.435 flat angles P-C4'-P energy: -40.387 tors. eta vs tors. theta energy: -82.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -884.691249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.691249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.691249 (E_RNA) where: Base-Base interactions energy: -596.924 where: short stacking energy: -267.725 Base-Backbone interact. energy: 0.275 local terms energy: -288.042438 where: bonds (distance) C4'-P energy: -52.474 bonds (distance) P-C4' energy: -59.071 flat angles C4'-P-C4' energy: -71.422 flat angles P-C4'-P energy: -35.113 tors. eta vs tors. theta energy: -69.962 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: 4 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -822.930518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.930518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.930518 (E_RNA) where: Base-Base interactions energy: -545.653 where: short stacking energy: -237.491 Base-Backbone interact. energy: 1.389 local terms energy: -278.666494 where: bonds (distance) C4'-P energy: -57.534 bonds (distance) P-C4' energy: -57.487 flat angles C4'-P-C4' energy: -62.062 flat angles P-C4'-P energy: -44.680 tors. eta vs tors. theta energy: -56.904 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: 6 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -906.371039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.371039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.371039 (E_RNA) where: Base-Base interactions energy: -633.200 where: short stacking energy: -262.619 Base-Backbone interact. energy: -0.018 local terms energy: -273.152542 where: bonds (distance) C4'-P energy: -43.118 bonds (distance) P-C4' energy: -55.890 flat angles C4'-P-C4' energy: -56.027 flat angles P-C4'-P energy: -44.460 tors. eta vs tors. theta energy: -73.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -770.962051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.962051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.962051 (E_RNA) where: Base-Base interactions energy: -515.274 where: short stacking energy: -231.688 Base-Backbone interact. energy: 2.458 local terms energy: -258.145579 where: bonds (distance) C4'-P energy: -54.534 bonds (distance) P-C4' energy: -42.349 flat angles C4'-P-C4' energy: -66.512 flat angles P-C4'-P energy: -40.241 tors. eta vs tors. theta energy: -54.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -592.608725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.608725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.608725 (E_RNA) where: Base-Base interactions energy: -390.768 where: short stacking energy: -184.048 Base-Backbone interact. energy: -0.205 local terms energy: -201.636126 where: bonds (distance) C4'-P energy: -53.254 bonds (distance) P-C4' energy: -45.208 flat angles C4'-P-C4' energy: -51.654 flat angles P-C4'-P energy: -23.547 tors. eta vs tors. theta energy: -27.973 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: 2 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -467.419180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.419180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.419180 (E_RNA) where: Base-Base interactions energy: -277.442 where: short stacking energy: -128.012 Base-Backbone interact. energy: 0.084 local terms energy: -190.060981 where: bonds (distance) C4'-P energy: -44.607 bonds (distance) P-C4' energy: -55.045 flat angles C4'-P-C4' energy: -57.257 flat angles P-C4'-P energy: -23.247 tors. eta vs tors. theta energy: -9.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1152.210218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.210218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.210218 (E_RNA) where: Base-Base interactions energy: -791.580 where: short stacking energy: -335.440 Base-Backbone interact. energy: -0.760 local terms energy: -359.870274 where: bonds (distance) C4'-P energy: -62.513 bonds (distance) P-C4' energy: -65.238 flat angles C4'-P-C4' energy: -77.629 flat angles P-C4'-P energy: -56.865 tors. eta vs tors. theta energy: -97.625 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: 2, replica: 8 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1157.239481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.239481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.239481 (E_RNA) where: Base-Base interactions energy: -799.891 where: short stacking energy: -333.910 Base-Backbone interact. energy: -0.543 local terms energy: -356.805442 where: bonds (distance) C4'-P energy: -71.854 bonds (distance) P-C4' energy: -66.452 flat angles C4'-P-C4' energy: -70.303 flat angles P-C4'-P energy: -45.948 tors. eta vs tors. theta energy: -102.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1050.533640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.533640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.533640 (E_RNA) where: Base-Base interactions energy: -729.536 where: short stacking energy: -304.651 Base-Backbone interact. energy: -1.999 local terms energy: -318.998561 where: bonds (distance) C4'-P energy: -59.854 bonds (distance) P-C4' energy: -56.922 flat angles C4'-P-C4' energy: -63.243 flat angles P-C4'-P energy: -41.851 tors. eta vs tors. theta energy: -97.129 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: 9 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1010.994238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.994238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.994238 (E_RNA) where: Base-Base interactions energy: -699.939 where: short stacking energy: -292.072 Base-Backbone interact. energy: -2.692 local terms energy: -308.362983 where: bonds (distance) C4'-P energy: -66.263 bonds (distance) P-C4' energy: -64.746 flat angles C4'-P-C4' energy: -63.185 flat angles P-C4'-P energy: -41.804 tors. eta vs tors. theta energy: -72.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -870.527004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.527004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.527004 (E_RNA) where: Base-Base interactions energy: -590.268 where: short stacking energy: -260.936 Base-Backbone interact. energy: 0.968 local terms energy: -281.226778 where: bonds (distance) C4'-P energy: -50.488 bonds (distance) P-C4' energy: -58.970 flat angles C4'-P-C4' energy: -64.550 flat angles P-C4'-P energy: -37.328 tors. eta vs tors. theta energy: -69.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -925.718543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.718543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.718543 (E_RNA) where: Base-Base interactions energy: -622.120 where: short stacking energy: -276.146 Base-Backbone interact. energy: -1.936 local terms energy: -301.663141 where: bonds (distance) C4'-P energy: -61.063 bonds (distance) P-C4' energy: -64.944 flat angles C4'-P-C4' energy: -61.523 flat angles P-C4'-P energy: -49.113 tors. eta vs tors. theta energy: -65.020 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: 4 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -811.855707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.855707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.855707 (E_RNA) where: Base-Base interactions energy: -539.005 where: short stacking energy: -235.686 Base-Backbone interact. energy: 3.716 local terms energy: -276.566076 where: bonds (distance) C4'-P energy: -57.583 bonds (distance) P-C4' energy: -58.575 flat angles C4'-P-C4' energy: -61.216 flat angles P-C4'-P energy: -41.507 tors. eta vs tors. theta energy: -57.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -762.944293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.944293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.944293 (E_RNA) where: Base-Base interactions energy: -509.209 where: short stacking energy: -221.195 Base-Backbone interact. energy: -1.371 local terms energy: -252.363965 where: bonds (distance) C4'-P energy: -60.893 bonds (distance) P-C4' energy: -51.518 flat angles C4'-P-C4' energy: -59.187 flat angles P-C4'-P energy: -35.162 tors. eta vs tors. theta energy: -45.604 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: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -571.659899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.659899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.659899 (E_RNA) where: Base-Base interactions energy: -338.974 where: short stacking energy: -161.750 Base-Backbone interact. energy: 0.521 local terms energy: -233.207140 where: bonds (distance) C4'-P energy: -55.367 bonds (distance) P-C4' energy: -59.976 flat angles C4'-P-C4' energy: -61.379 flat angles P-C4'-P energy: -27.199 tors. eta vs tors. theta energy: -29.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -513.147216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.147216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.147216 (E_RNA) where: Base-Base interactions energy: -311.188 where: short stacking energy: -164.509 Base-Backbone interact. energy: -0.289 local terms energy: -201.670815 where: bonds (distance) C4'-P energy: -45.394 bonds (distance) P-C4' energy: -42.821 flat angles C4'-P-C4' energy: -52.345 flat angles P-C4'-P energy: -29.788 tors. eta vs tors. theta energy: -31.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1162.451240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.451240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.451240 (E_RNA) where: Base-Base interactions energy: -803.572 where: short stacking energy: -324.889 Base-Backbone interact. energy: -2.097 local terms energy: -356.781729 where: bonds (distance) C4'-P energy: -68.802 bonds (distance) P-C4' energy: -66.660 flat angles C4'-P-C4' energy: -79.500 flat angles P-C4'-P energy: -48.370 tors. eta vs tors. theta energy: -93.449 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: 8 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1157.907822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.907822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.907822 (E_RNA) where: Base-Base interactions energy: -805.158 where: short stacking energy: -341.924 Base-Backbone interact. energy: -1.533 local terms energy: -351.216750 where: bonds (distance) C4'-P energy: -60.137 bonds (distance) P-C4' energy: -61.768 flat angles C4'-P-C4' energy: -74.616 flat angles P-C4'-P energy: -54.896 tors. eta vs tors. theta energy: -99.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1029.183952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.183952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.183952 (E_RNA) where: Base-Base interactions energy: -699.187 where: short stacking energy: -309.658 Base-Backbone interact. energy: -1.760 local terms energy: -328.237122 where: bonds (distance) C4'-P energy: -55.053 bonds (distance) P-C4' energy: -54.614 flat angles C4'-P-C4' energy: -76.458 flat angles P-C4'-P energy: -48.402 tors. eta vs tors. theta energy: -93.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1015.320312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.320312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.320312 (E_RNA) where: Base-Base interactions energy: -692.125 where: short stacking energy: -301.667 Base-Backbone interact. energy: -0.342 local terms energy: -322.854170 where: bonds (distance) C4'-P energy: -55.202 bonds (distance) P-C4' energy: -69.317 flat angles C4'-P-C4' energy: -67.848 flat angles P-C4'-P energy: -54.068 tors. eta vs tors. theta energy: -76.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -939.205534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.205534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.205534 (E_RNA) where: Base-Base interactions energy: -662.156 where: short stacking energy: -255.296 Base-Backbone interact. energy: -0.590 local terms energy: -276.459689 where: bonds (distance) C4'-P energy: -52.667 bonds (distance) P-C4' energy: -61.454 flat angles C4'-P-C4' energy: -58.639 flat angles P-C4'-P energy: -30.778 tors. eta vs tors. theta energy: -72.922 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: 1 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -871.752787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.752787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.752787 (E_RNA) where: Base-Base interactions energy: -580.944 where: short stacking energy: -243.424 Base-Backbone interact. energy: -1.990 local terms energy: -288.817953 where: bonds (distance) C4'-P energy: -52.914 bonds (distance) P-C4' energy: -61.763 flat angles C4'-P-C4' energy: -70.955 flat angles P-C4'-P energy: -33.735 tors. eta vs tors. theta energy: -69.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -820.291082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.291082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.291082 (E_RNA) where: Base-Base interactions energy: -545.649 where: short stacking energy: -251.169 Base-Backbone interact. energy: -0.039 local terms energy: -274.602306 where: bonds (distance) C4'-P energy: -52.164 bonds (distance) P-C4' energy: -63.455 flat angles C4'-P-C4' energy: -61.134 flat angles P-C4'-P energy: -30.677 tors. eta vs tors. theta energy: -67.172 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: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -762.988149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.988149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.988149 (E_RNA) where: Base-Base interactions energy: -497.768 where: short stacking energy: -218.850 Base-Backbone interact. energy: -1.495 local terms energy: -263.725876 where: bonds (distance) C4'-P energy: -58.902 bonds (distance) P-C4' energy: -60.480 flat angles C4'-P-C4' energy: -52.334 flat angles P-C4'-P energy: -42.735 tors. eta vs tors. theta energy: -49.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -577.043173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.043173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.043173 (E_RNA) where: Base-Base interactions energy: -350.433 where: short stacking energy: -156.327 Base-Backbone interact. energy: 0.059 local terms energy: -226.668427 where: bonds (distance) C4'-P energy: -51.968 bonds (distance) P-C4' energy: -51.055 flat angles C4'-P-C4' energy: -63.927 flat angles P-C4'-P energy: -26.339 tors. eta vs tors. theta energy: -33.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -502.682138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.682138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.682138 (E_RNA) where: Base-Base interactions energy: -318.466 where: short stacking energy: -143.167 Base-Backbone interact. energy: -0.260 local terms energy: -183.955895 where: bonds (distance) C4'-P energy: -45.476 bonds (distance) P-C4' energy: -61.916 flat angles C4'-P-C4' energy: -43.948 flat angles P-C4'-P energy: -22.626 tors. eta vs tors. theta energy: -9.990 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: 10 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1178.534134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.534134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.534134 (E_RNA) where: Base-Base interactions energy: -832.601 where: short stacking energy: -344.341 Base-Backbone interact. energy: 1.046 local terms energy: -346.978870 where: bonds (distance) C4'-P energy: -64.588 bonds (distance) P-C4' energy: -64.331 flat angles C4'-P-C4' energy: -68.988 flat angles P-C4'-P energy: -55.189 tors. eta vs tors. theta energy: -93.882 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: 8 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1158.738740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.738740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.738740 (E_RNA) where: Base-Base interactions energy: -802.136 where: short stacking energy: -340.535 Base-Backbone interact. energy: 1.028 local terms energy: -357.630932 where: bonds (distance) C4'-P energy: -65.408 bonds (distance) P-C4' energy: -67.539 flat angles C4'-P-C4' energy: -76.436 flat angles P-C4'-P energy: -50.190 tors. eta vs tors. theta energy: -98.057 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: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1069.286726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.286726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.286726 (E_RNA) where: Base-Base interactions energy: -721.112 where: short stacking energy: -334.611 Base-Backbone interact. energy: -0.522 local terms energy: -347.652698 where: bonds (distance) C4'-P energy: -57.087 bonds (distance) P-C4' energy: -73.264 flat angles C4'-P-C4' energy: -66.947 flat angles P-C4'-P energy: -51.623 tors. eta vs tors. theta energy: -98.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1018.229702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.229702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.229702 (E_RNA) where: Base-Base interactions energy: -715.495 where: short stacking energy: -291.674 Base-Backbone interact. energy: 2.864 local terms energy: -305.598508 where: bonds (distance) C4'-P energy: -55.648 bonds (distance) P-C4' energy: -63.498 flat angles C4'-P-C4' energy: -61.140 flat angles P-C4'-P energy: -44.442 tors. eta vs tors. theta energy: -80.871 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: 6 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -956.804889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.804889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.804889 (E_RNA) where: Base-Base interactions energy: -665.300 where: short stacking energy: -285.956 Base-Backbone interact. energy: -1.408 local terms energy: -290.096641 where: bonds (distance) C4'-P energy: -64.403 bonds (distance) P-C4' energy: -48.372 flat angles C4'-P-C4' energy: -60.168 flat angles P-C4'-P energy: -41.121 tors. eta vs tors. theta energy: -76.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -829.999409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.999409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.999409 (E_RNA) where: Base-Base interactions energy: -548.689 where: short stacking energy: -231.945 Base-Backbone interact. energy: -1.104 local terms energy: -280.206450 where: bonds (distance) C4'-P energy: -56.081 bonds (distance) P-C4' energy: -61.761 flat angles C4'-P-C4' energy: -57.219 flat angles P-C4'-P energy: -39.878 tors. eta vs tors. theta energy: -65.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -845.207839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.207839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.207839 (E_RNA) where: Base-Base interactions energy: -555.484 where: short stacking energy: -265.497 Base-Backbone interact. energy: -0.993 local terms energy: -288.730876 where: bonds (distance) C4'-P energy: -60.656 bonds (distance) P-C4' energy: -70.675 flat angles C4'-P-C4' energy: -60.856 flat angles P-C4'-P energy: -29.668 tors. eta vs tors. theta energy: -66.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -733.259365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.259365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.259365 (E_RNA) where: Base-Base interactions energy: -481.074 where: short stacking energy: -203.598 Base-Backbone interact. energy: -0.990 local terms energy: -251.195940 where: bonds (distance) C4'-P energy: -53.149 bonds (distance) P-C4' energy: -62.574 flat angles C4'-P-C4' energy: -56.717 flat angles P-C4'-P energy: -26.931 tors. eta vs tors. theta energy: -51.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -570.133158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.133158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.133158 (E_RNA) where: Base-Base interactions energy: -355.091 where: short stacking energy: -172.535 Base-Backbone interact. energy: -2.118 local terms energy: -212.924335 where: bonds (distance) C4'-P energy: -50.662 bonds (distance) P-C4' energy: -51.720 flat angles C4'-P-C4' energy: -37.307 flat angles P-C4'-P energy: -44.363 tors. eta vs tors. theta energy: -28.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -536.004259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.004259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.004259 (E_RNA) where: Base-Base interactions energy: -338.033 where: short stacking energy: -155.675 Base-Backbone interact. energy: 1.595 local terms energy: -199.566056 where: bonds (distance) C4'-P energy: -37.722 bonds (distance) P-C4' energy: -56.306 flat angles C4'-P-C4' energy: -48.574 flat angles P-C4'-P energy: -31.008 tors. eta vs tors. theta energy: -25.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1188.760430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.760430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.760430 (E_RNA) where: Base-Base interactions energy: -823.529 where: short stacking energy: -350.277 Base-Backbone interact. energy: -1.232 local terms energy: -363.998663 where: bonds (distance) C4'-P energy: -64.295 bonds (distance) P-C4' energy: -67.561 flat angles C4'-P-C4' energy: -67.709 flat angles P-C4'-P energy: -58.812 tors. eta vs tors. theta energy: -105.622 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: 10 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1154.265966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.265966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.265966 (E_RNA) where: Base-Base interactions energy: -803.251 where: short stacking energy: -339.843 Base-Backbone interact. energy: 1.120 local terms energy: -352.134525 where: bonds (distance) C4'-P energy: -58.471 bonds (distance) P-C4' energy: -65.396 flat angles C4'-P-C4' energy: -75.273 flat angles P-C4'-P energy: -49.697 tors. eta vs tors. theta energy: -103.297 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: 310 Temperature: 1.000000 Total energy: -1074.921672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.921672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.921672 (E_RNA) where: Base-Base interactions energy: -742.181 where: short stacking energy: -352.284 Base-Backbone interact. energy: -1.391 local terms energy: -331.349790 where: bonds (distance) C4'-P energy: -47.891 bonds (distance) P-C4' energy: -56.732 flat angles C4'-P-C4' energy: -78.425 flat angles P-C4'-P energy: -52.044 tors. eta vs tors. theta energy: -96.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1010.422476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.422476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.422476 (E_RNA) where: Base-Base interactions energy: -697.148 where: short stacking energy: -307.529 Base-Backbone interact. energy: -0.350 local terms energy: -312.923725 where: bonds (distance) C4'-P energy: -53.324 bonds (distance) P-C4' energy: -66.701 flat angles C4'-P-C4' energy: -64.840 flat angles P-C4'-P energy: -44.732 tors. eta vs tors. theta energy: -83.327 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: 5, replica: 6 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -922.982616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.982616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.982616 (E_RNA) where: Base-Base interactions energy: -626.560 where: short stacking energy: -267.939 Base-Backbone interact. energy: -0.356 local terms energy: -296.065872 where: bonds (distance) C4'-P energy: -55.089 bonds (distance) P-C4' energy: -63.505 flat angles C4'-P-C4' energy: -67.891 flat angles P-C4'-P energy: -44.689 tors. eta vs tors. theta energy: -64.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -871.170206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.170206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.170206 (E_RNA) where: Base-Base interactions energy: -588.346 where: short stacking energy: -266.040 Base-Backbone interact. energy: 0.143 local terms energy: -282.966606 where: bonds (distance) C4'-P energy: -54.580 bonds (distance) P-C4' energy: -48.168 flat angles C4'-P-C4' energy: -62.376 flat angles P-C4'-P energy: -38.021 tors. eta vs tors. theta energy: -79.822 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: 310 Temperature: 1.200000 Total energy: -815.713246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.713246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.713246 (E_RNA) where: Base-Base interactions energy: -543.174 where: short stacking energy: -243.535 Base-Backbone interact. energy: -0.280 local terms energy: -272.260095 where: bonds (distance) C4'-P energy: -54.726 bonds (distance) P-C4' energy: -58.703 flat angles C4'-P-C4' energy: -65.071 flat angles P-C4'-P energy: -36.500 tors. eta vs tors. theta energy: -57.259 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: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -731.074545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.074545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.074545 (E_RNA) where: Base-Base interactions energy: -473.882 where: short stacking energy: -195.616 Base-Backbone interact. energy: 2.948 local terms energy: -260.140307 where: bonds (distance) C4'-P energy: -50.235 bonds (distance) P-C4' energy: -56.551 flat angles C4'-P-C4' energy: -61.976 flat angles P-C4'-P energy: -42.321 tors. eta vs tors. theta energy: -49.057 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: 2 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -540.855100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.855100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.855100 (E_RNA) where: Base-Base interactions energy: -340.000 where: short stacking energy: -180.507 Base-Backbone interact. energy: 2.108 local terms energy: -202.962705 where: bonds (distance) C4'-P energy: -43.792 bonds (distance) P-C4' energy: -55.423 flat angles C4'-P-C4' energy: -48.145 flat angles P-C4'-P energy: -32.894 tors. eta vs tors. theta energy: -22.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -553.613506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.613506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.613506 (E_RNA) where: Base-Base interactions energy: -345.022 where: short stacking energy: -182.807 Base-Backbone interact. energy: 5.158 local terms energy: -213.749216 where: bonds (distance) C4'-P energy: -38.058 bonds (distance) P-C4' energy: -56.815 flat angles C4'-P-C4' energy: -53.248 flat angles P-C4'-P energy: -39.448 tors. eta vs tors. theta energy: -26.180 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: 8 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1168.732512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.732512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.732512 (E_RNA) where: Base-Base interactions energy: -823.337 where: short stacking energy: -330.519 Base-Backbone interact. energy: -0.721 local terms energy: -344.675311 where: bonds (distance) C4'-P energy: -72.550 bonds (distance) P-C4' energy: -67.249 flat angles C4'-P-C4' energy: -73.455 flat angles P-C4'-P energy: -38.901 tors. eta vs tors. theta energy: -92.520 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: 10 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1148.051379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.051379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.051379 (E_RNA) where: Base-Base interactions energy: -803.912 where: short stacking energy: -337.618 Base-Backbone interact. energy: 2.398 local terms energy: -346.537447 where: bonds (distance) C4'-P energy: -59.135 bonds (distance) P-C4' energy: -60.847 flat angles C4'-P-C4' energy: -75.005 flat angles P-C4'-P energy: -52.185 tors. eta vs tors. theta energy: -99.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1073.664762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.664762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.664762 (E_RNA) where: Base-Base interactions energy: -715.398 where: short stacking energy: -331.086 Base-Backbone interact. energy: -0.093 local terms energy: -358.173704 where: bonds (distance) C4'-P energy: -64.312 bonds (distance) P-C4' energy: -65.677 flat angles C4'-P-C4' energy: -74.920 flat angles P-C4'-P energy: -53.053 tors. eta vs tors. theta energy: -100.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1016.577409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.577409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.577409 (E_RNA) where: Base-Base interactions energy: -688.357 where: short stacking energy: -287.804 Base-Backbone interact. energy: -3.644 local terms energy: -324.576952 where: bonds (distance) C4'-P energy: -69.511 bonds (distance) P-C4' energy: -60.630 flat angles C4'-P-C4' energy: -69.501 flat angles P-C4'-P energy: -46.287 tors. eta vs tors. theta energy: -78.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -941.012607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.012607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.012607 (E_RNA) where: Base-Base interactions energy: -658.198 where: short stacking energy: -273.959 Base-Backbone interact. energy: 6.793 local terms energy: -289.608130 where: bonds (distance) C4'-P energy: -55.113 bonds (distance) P-C4' energy: -55.992 flat angles C4'-P-C4' energy: -66.541 flat angles P-C4'-P energy: -42.817 tors. eta vs tors. theta energy: -69.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -876.755500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.755500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.755500 (E_RNA) where: Base-Base interactions energy: -595.418 where: short stacking energy: -256.229 Base-Backbone interact. energy: 1.452 local terms energy: -282.789791 where: bonds (distance) C4'-P energy: -60.328 bonds (distance) P-C4' energy: -46.116 flat angles C4'-P-C4' energy: -64.669 flat angles P-C4'-P energy: -34.882 tors. eta vs tors. theta energy: -76.794 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: 4 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -846.700582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.700582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.700582 (E_RNA) where: Base-Base interactions energy: -558.654 where: short stacking energy: -244.769 Base-Backbone interact. energy: -0.662 local terms energy: -287.384816 where: bonds (distance) C4'-P energy: -57.189 bonds (distance) P-C4' energy: -64.782 flat angles C4'-P-C4' energy: -60.148 flat angles P-C4'-P energy: -38.579 tors. eta vs tors. theta energy: -66.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -715.750678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.750678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.750678 (E_RNA) where: Base-Base interactions energy: -459.346 where: short stacking energy: -212.969 Base-Backbone interact. energy: 0.037 local terms energy: -256.441550 where: bonds (distance) C4'-P energy: -56.324 bonds (distance) P-C4' energy: -51.393 flat angles C4'-P-C4' energy: -55.486 flat angles P-C4'-P energy: -38.072 tors. eta vs tors. theta energy: -55.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -510.544013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.544013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.544013 (E_RNA) where: Base-Base interactions energy: -288.192 where: short stacking energy: -132.884 Base-Backbone interact. energy: 0.891 local terms energy: -223.242307 where: bonds (distance) C4'-P energy: -57.885 bonds (distance) P-C4' energy: -54.992 flat angles C4'-P-C4' energy: -60.207 flat angles P-C4'-P energy: -36.348 tors. eta vs tors. theta energy: -13.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -554.531998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.531998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.531998 (E_RNA) where: Base-Base interactions energy: -361.233 where: short stacking energy: -181.136 Base-Backbone interact. energy: -0.022 local terms energy: -193.277056 where: bonds (distance) C4'-P energy: -49.904 bonds (distance) P-C4' energy: -39.799 flat angles C4'-P-C4' energy: -55.844 flat angles P-C4'-P energy: -22.961 tors. eta vs tors. theta energy: -24.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1149.026620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.026620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.026620 (E_RNA) where: Base-Base interactions energy: -795.965 where: short stacking energy: -335.836 Base-Backbone interact. energy: -1.286 local terms energy: -351.775464 where: bonds (distance) C4'-P energy: -64.138 bonds (distance) P-C4' energy: -66.477 flat angles C4'-P-C4' energy: -73.750 flat angles P-C4'-P energy: -50.602 tors. eta vs tors. theta energy: -96.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1147.785577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.785577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.785577 (E_RNA) where: Base-Base interactions energy: -796.434 where: short stacking energy: -349.356 Base-Backbone interact. energy: -1.143 local terms energy: -350.208965 where: bonds (distance) C4'-P energy: -61.060 bonds (distance) P-C4' energy: -72.337 flat angles C4'-P-C4' energy: -71.904 flat angles P-C4'-P energy: -49.878 tors. eta vs tors. theta energy: -95.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1075.486052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.486052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.486052 (E_RNA) where: Base-Base interactions energy: -749.853 where: short stacking energy: -338.544 Base-Backbone interact. energy: 4.944 local terms energy: -330.577562 where: bonds (distance) C4'-P energy: -54.905 bonds (distance) P-C4' energy: -61.292 flat angles C4'-P-C4' energy: -69.218 flat angles P-C4'-P energy: -39.635 tors. eta vs tors. theta energy: -105.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1023.215272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.215272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.215272 (E_RNA) where: Base-Base interactions energy: -712.296 where: short stacking energy: -324.573 Base-Backbone interact. energy: -0.588 local terms energy: -310.330808 where: bonds (distance) C4'-P energy: -65.189 bonds (distance) P-C4' energy: -46.450 flat angles C4'-P-C4' energy: -68.130 flat angles P-C4'-P energy: -43.052 tors. eta vs tors. theta energy: -87.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -966.001821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.001821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.001821 (E_RNA) where: Base-Base interactions energy: -686.129 where: short stacking energy: -284.871 Base-Backbone interact. energy: 2.153 local terms energy: -282.026389 where: bonds (distance) C4'-P energy: -49.001 bonds (distance) P-C4' energy: -55.566 flat angles C4'-P-C4' energy: -59.658 flat angles P-C4'-P energy: -42.264 tors. eta vs tors. theta energy: -75.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -861.843419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.843419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.843419 (E_RNA) where: Base-Base interactions energy: -577.977 where: short stacking energy: -233.734 Base-Backbone interact. energy: 0.787 local terms energy: -284.654011 where: bonds (distance) C4'-P energy: -58.660 bonds (distance) P-C4' energy: -59.638 flat angles C4'-P-C4' energy: -58.530 flat angles P-C4'-P energy: -39.823 tors. eta vs tors. theta energy: -68.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -833.260814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.260814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.260814 (E_RNA) where: Base-Base interactions energy: -564.451 where: short stacking energy: -254.255 Base-Backbone interact. energy: -0.511 local terms energy: -268.298693 where: bonds (distance) C4'-P energy: -52.990 bonds (distance) P-C4' energy: -51.329 flat angles C4'-P-C4' energy: -65.179 flat angles P-C4'-P energy: -25.420 tors. eta vs tors. theta energy: -73.381 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: 5 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -694.629315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.629315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.629315 (E_RNA) where: Base-Base interactions energy: -467.065 where: short stacking energy: -181.005 Base-Backbone interact. energy: -1.233 local terms energy: -226.331958 where: bonds (distance) C4'-P energy: -51.263 bonds (distance) P-C4' energy: -60.397 flat angles C4'-P-C4' energy: -63.477 flat angles P-C4'-P energy: -21.387 tors. eta vs tors. theta energy: -29.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -530.812665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.812665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.812665 (E_RNA) where: Base-Base interactions energy: -333.343 where: short stacking energy: -155.322 Base-Backbone interact. energy: 0.713 local terms energy: -198.182760 where: bonds (distance) C4'-P energy: -47.697 bonds (distance) P-C4' energy: -49.465 flat angles C4'-P-C4' energy: -57.642 flat angles P-C4'-P energy: -26.211 tors. eta vs tors. theta energy: -17.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -496.860039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.860039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.860039 (E_RNA) where: Base-Base interactions energy: -316.519 where: short stacking energy: -142.881 Base-Backbone interact. energy: -1.775 local terms energy: -178.566752 where: bonds (distance) C4'-P energy: -45.016 bonds (distance) P-C4' energy: -44.271 flat angles C4'-P-C4' energy: -44.764 flat angles P-C4'-P energy: -28.904 tors. eta vs tors. theta energy: -15.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1160.708967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.708967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.708967 (E_RNA) where: Base-Base interactions energy: -792.412 where: short stacking energy: -330.757 Base-Backbone interact. energy: -1.852 local terms energy: -366.444596 where: bonds (distance) C4'-P energy: -68.346 bonds (distance) P-C4' energy: -70.371 flat angles C4'-P-C4' energy: -76.527 flat angles P-C4'-P energy: -50.142 tors. eta vs tors. theta energy: -101.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1138.236620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.236620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.236620 (E_RNA) where: Base-Base interactions energy: -791.708 where: short stacking energy: -331.909 Base-Backbone interact. energy: -0.096 local terms energy: -346.432310 where: bonds (distance) C4'-P energy: -62.433 bonds (distance) P-C4' energy: -62.150 flat angles C4'-P-C4' energy: -72.165 flat angles P-C4'-P energy: -52.555 tors. eta vs tors. theta energy: -97.129 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: 3, replica: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1083.073872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.073872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.073872 (E_RNA) where: Base-Base interactions energy: -740.831 where: short stacking energy: -349.143 Base-Backbone interact. energy: 2.480 local terms energy: -344.722258 where: bonds (distance) C4'-P energy: -62.063 bonds (distance) P-C4' energy: -64.396 flat angles C4'-P-C4' energy: -68.818 flat angles P-C4'-P energy: -44.054 tors. eta vs tors. theta energy: -105.392 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: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1015.886532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.886532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.886532 (E_RNA) where: Base-Base interactions energy: -693.863 where: short stacking energy: -304.123 Base-Backbone interact. energy: -1.028 local terms energy: -320.995227 where: bonds (distance) C4'-P energy: -60.780 bonds (distance) P-C4' energy: -62.003 flat angles C4'-P-C4' energy: -75.724 flat angles P-C4'-P energy: -40.713 tors. eta vs tors. theta energy: -81.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -945.517946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.517946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.517946 (E_RNA) where: Base-Base interactions energy: -626.001 where: short stacking energy: -268.218 Base-Backbone interact. energy: -0.695 local terms energy: -318.821061 where: bonds (distance) C4'-P energy: -62.914 bonds (distance) P-C4' energy: -70.463 flat angles C4'-P-C4' energy: -68.580 flat angles P-C4'-P energy: -45.311 tors. eta vs tors. theta energy: -71.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -850.202348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.202348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.202348 (E_RNA) where: Base-Base interactions energy: -566.195 where: short stacking energy: -233.069 Base-Backbone interact. energy: 2.510 local terms energy: -286.517744 where: bonds (distance) C4'-P energy: -55.502 bonds (distance) P-C4' energy: -67.400 flat angles C4'-P-C4' energy: -56.922 flat angles P-C4'-P energy: -46.764 tors. eta vs tors. theta energy: -59.929 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: 4 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -781.441769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.441769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.441769 (E_RNA) where: Base-Base interactions energy: -513.255 where: short stacking energy: -226.684 Base-Backbone interact. energy: -0.023 local terms energy: -268.164328 where: bonds (distance) C4'-P energy: -60.808 bonds (distance) P-C4' energy: -53.847 flat angles C4'-P-C4' energy: -52.323 flat angles P-C4'-P energy: -40.715 tors. eta vs tors. theta energy: -60.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -698.105751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.105751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.105751 (E_RNA) where: Base-Base interactions energy: -463.854 where: short stacking energy: -191.750 Base-Backbone interact. energy: 0.767 local terms energy: -235.019244 where: bonds (distance) C4'-P energy: -41.060 bonds (distance) P-C4' energy: -60.033 flat angles C4'-P-C4' energy: -50.924 flat angles P-C4'-P energy: -39.571 tors. eta vs tors. theta energy: -43.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -531.395238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.395238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.395238 (E_RNA) where: Base-Base interactions energy: -347.946 where: short stacking energy: -159.446 Base-Backbone interact. energy: -0.321 local terms energy: -183.128553 where: bonds (distance) C4'-P energy: -31.588 bonds (distance) P-C4' energy: -49.030 flat angles C4'-P-C4' energy: -65.703 flat angles P-C4'-P energy: -8.670 tors. eta vs tors. theta energy: -28.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -562.628005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.628005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.628005 (E_RNA) where: Base-Base interactions energy: -343.587 where: short stacking energy: -162.376 Base-Backbone interact. energy: 0.325 local terms energy: -219.366288 where: bonds (distance) C4'-P energy: -42.873 bonds (distance) P-C4' energy: -52.040 flat angles C4'-P-C4' energy: -54.456 flat angles P-C4'-P energy: -35.356 tors. eta vs tors. theta energy: -34.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1169.744710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.744710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.744710 (E_RNA) where: Base-Base interactions energy: -810.465 where: short stacking energy: -348.223 Base-Backbone interact. energy: -1.523 local terms energy: -357.756933 where: bonds (distance) C4'-P energy: -67.686 bonds (distance) P-C4' energy: -73.170 flat angles C4'-P-C4' energy: -77.727 flat angles P-C4'-P energy: -43.713 tors. eta vs tors. theta energy: -95.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1162.386338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.386338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.386338 (E_RNA) where: Base-Base interactions energy: -810.901 where: short stacking energy: -339.266 Base-Backbone interact. energy: -1.619 local terms energy: -349.866430 where: bonds (distance) C4'-P energy: -51.398 bonds (distance) P-C4' energy: -66.046 flat angles C4'-P-C4' energy: -79.200 flat angles P-C4'-P energy: -53.319 tors. eta vs tors. theta energy: -99.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1044.755727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.755727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.755727 (E_RNA) where: Base-Base interactions energy: -718.621 where: short stacking energy: -319.009 Base-Backbone interact. energy: -2.068 local terms energy: -324.066419 where: bonds (distance) C4'-P energy: -64.233 bonds (distance) P-C4' energy: -60.997 flat angles C4'-P-C4' energy: -70.690 flat angles P-C4'-P energy: -41.143 tors. eta vs tors. theta energy: -87.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1079.644472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.644472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.644472 (E_RNA) where: Base-Base interactions energy: -736.633 where: short stacking energy: -335.475 Base-Backbone interact. energy: -0.644 local terms energy: -342.367376 where: bonds (distance) C4'-P energy: -62.666 bonds (distance) P-C4' energy: -54.059 flat angles C4'-P-C4' energy: -77.194 flat angles P-C4'-P energy: -47.783 tors. eta vs tors. theta energy: -100.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -930.208398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.208398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.208398 (E_RNA) where: Base-Base interactions energy: -626.007 where: short stacking energy: -263.971 Base-Backbone interact. energy: -0.207 local terms energy: -303.994880 where: bonds (distance) C4'-P energy: -53.739 bonds (distance) P-C4' energy: -55.191 flat angles C4'-P-C4' energy: -66.686 flat angles P-C4'-P energy: -55.946 tors. eta vs tors. theta energy: -72.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -868.928589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.928589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.928589 (E_RNA) where: Base-Base interactions energy: -580.829 where: short stacking energy: -260.672 Base-Backbone interact. energy: -0.395 local terms energy: -287.704140 where: bonds (distance) C4'-P energy: -57.072 bonds (distance) P-C4' energy: -63.795 flat angles C4'-P-C4' energy: -58.227 flat angles P-C4'-P energy: -38.221 tors. eta vs tors. theta energy: -70.389 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: 5 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -756.696796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.696796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.696796 (E_RNA) where: Base-Base interactions energy: -499.500 where: short stacking energy: -215.241 Base-Backbone interact. energy: -1.916 local terms energy: -255.281445 where: bonds (distance) C4'-P energy: -58.455 bonds (distance) P-C4' energy: -42.330 flat angles C4'-P-C4' energy: -64.972 flat angles P-C4'-P energy: -33.710 tors. eta vs tors. theta energy: -55.814 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: 4 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -804.259043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.259043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.259043 (E_RNA) where: Base-Base interactions energy: -517.112 where: short stacking energy: -230.856 Base-Backbone interact. energy: 0.020 local terms energy: -287.167320 where: bonds (distance) C4'-P energy: -61.248 bonds (distance) P-C4' energy: -59.382 flat angles C4'-P-C4' energy: -59.772 flat angles P-C4'-P energy: -39.167 tors. eta vs tors. theta energy: -67.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -557.073296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.073296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.073296 (E_RNA) where: Base-Base interactions energy: -326.815 where: short stacking energy: -147.253 Base-Backbone interact. energy: -1.514 local terms energy: -228.743839 where: bonds (distance) C4'-P energy: -48.451 bonds (distance) P-C4' energy: -76.937 flat angles C4'-P-C4' energy: -49.963 flat angles P-C4'-P energy: -28.540 tors. eta vs tors. theta energy: -24.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -565.760668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.760668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.760668 (E_RNA) where: Base-Base interactions energy: -363.551 where: short stacking energy: -165.416 Base-Backbone interact. energy: -1.316 local terms energy: -200.893675 where: bonds (distance) C4'-P energy: -45.866 bonds (distance) P-C4' energy: -52.024 flat angles C4'-P-C4' energy: -42.022 flat angles P-C4'-P energy: -30.337 tors. eta vs tors. theta energy: -30.644 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: 1, replica: 10 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1168.134719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.134719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.134719 (E_RNA) where: Base-Base interactions energy: -821.055 where: short stacking energy: -349.792 Base-Backbone interact. energy: -1.796 local terms energy: -345.283235 where: bonds (distance) C4'-P energy: -58.867 bonds (distance) P-C4' energy: -68.235 flat angles C4'-P-C4' energy: -72.561 flat angles P-C4'-P energy: -49.212 tors. eta vs tors. theta energy: -96.407 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: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1158.157701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.157701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.157701 (E_RNA) where: Base-Base interactions energy: -816.671 where: short stacking energy: -342.737 Base-Backbone interact. energy: 0.450 local terms energy: -341.937217 where: bonds (distance) C4'-P energy: -62.312 bonds (distance) P-C4' energy: -57.272 flat angles C4'-P-C4' energy: -70.216 flat angles P-C4'-P energy: -51.153 tors. eta vs tors. theta energy: -100.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1044.225746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.225746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.225746 (E_RNA) where: Base-Base interactions energy: -719.675 where: short stacking energy: -316.951 Base-Backbone interact. energy: -2.534 local terms energy: -322.017054 where: bonds (distance) C4'-P energy: -69.039 bonds (distance) P-C4' energy: -54.905 flat angles C4'-P-C4' energy: -65.942 flat angles P-C4'-P energy: -46.067 tors. eta vs tors. theta energy: -86.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1066.519407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.519407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.519407 (E_RNA) where: Base-Base interactions energy: -730.733 where: short stacking energy: -341.519 Base-Backbone interact. energy: -0.965 local terms energy: -334.822107 where: bonds (distance) C4'-P energy: -59.981 bonds (distance) P-C4' energy: -58.952 flat angles C4'-P-C4' energy: -63.945 flat angles P-C4'-P energy: -53.273 tors. eta vs tors. theta energy: -98.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -921.139714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.139714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.139714 (E_RNA) where: Base-Base interactions energy: -623.719 where: short stacking energy: -260.156 Base-Backbone interact. energy: -1.413 local terms energy: -296.007164 where: bonds (distance) C4'-P energy: -45.228 bonds (distance) P-C4' energy: -66.048 flat angles C4'-P-C4' energy: -62.866 flat angles P-C4'-P energy: -45.298 tors. eta vs tors. theta energy: -76.567 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: 1 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -857.977028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.977028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.977028 (E_RNA) where: Base-Base interactions energy: -574.447 where: short stacking energy: -243.711 Base-Backbone interact. energy: -1.895 local terms energy: -281.635128 where: bonds (distance) C4'-P energy: -56.272 bonds (distance) P-C4' energy: -57.809 flat angles C4'-P-C4' energy: -60.386 flat angles P-C4'-P energy: -43.237 tors. eta vs tors. theta energy: -63.932 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: 5 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -772.362845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.362845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.362845 (E_RNA) where: Base-Base interactions energy: -502.206 where: short stacking energy: -226.415 Base-Backbone interact. energy: 2.454 local terms energy: -272.610810 where: bonds (distance) C4'-P energy: -62.486 bonds (distance) P-C4' energy: -60.123 flat angles C4'-P-C4' energy: -56.953 flat angles P-C4'-P energy: -41.163 tors. eta vs tors. theta energy: -51.886 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: 4 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -770.964243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.964243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.964243 (E_RNA) where: Base-Base interactions energy: -492.635 where: short stacking energy: -219.859 Base-Backbone interact. energy: 0.484 local terms energy: -278.813511 where: bonds (distance) C4'-P energy: -59.858 bonds (distance) P-C4' energy: -60.142 flat angles C4'-P-C4' energy: -63.350 flat angles P-C4'-P energy: -41.942 tors. eta vs tors. theta energy: -53.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -575.008344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.008344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.008344 (E_RNA) where: Base-Base interactions energy: -361.848 where: short stacking energy: -175.146 Base-Backbone interact. energy: -0.759 local terms energy: -212.401974 where: bonds (distance) C4'-P energy: -57.232 bonds (distance) P-C4' energy: -59.696 flat angles C4'-P-C4' energy: -47.813 flat angles P-C4'-P energy: -23.522 tors. eta vs tors. theta energy: -24.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -494.332281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.332281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.332281 (E_RNA) where: Base-Base interactions energy: -309.162 where: short stacking energy: -139.268 Base-Backbone interact. energy: -1.382 local terms energy: -183.788554 where: bonds (distance) C4'-P energy: -43.507 bonds (distance) P-C4' energy: -54.926 flat angles C4'-P-C4' energy: -51.741 flat angles P-C4'-P energy: -23.172 tors. eta vs tors. theta energy: -10.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1153.812061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.812061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.812061 (E_RNA) where: Base-Base interactions energy: -791.022 where: short stacking energy: -343.909 Base-Backbone interact. energy: -0.681 local terms energy: -362.109170 where: bonds (distance) C4'-P energy: -72.375 bonds (distance) P-C4' energy: -64.706 flat angles C4'-P-C4' energy: -72.917 flat angles P-C4'-P energy: -51.839 tors. eta vs tors. theta energy: -100.272 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: 8 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1129.522601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.522601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.522601 (E_RNA) where: Base-Base interactions energy: -786.284 where: short stacking energy: -326.594 Base-Backbone interact. energy: -2.608 local terms energy: -340.630639 where: bonds (distance) C4'-P energy: -68.270 bonds (distance) P-C4' energy: -61.583 flat angles C4'-P-C4' energy: -63.394 flat angles P-C4'-P energy: -56.446 tors. eta vs tors. theta energy: -90.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1086.524447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.524447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.524447 (E_RNA) where: Base-Base interactions energy: -743.204 where: short stacking energy: -335.100 Base-Backbone interact. energy: -1.794 local terms energy: -341.525860 where: bonds (distance) C4'-P energy: -60.129 bonds (distance) P-C4' energy: -66.077 flat angles C4'-P-C4' energy: -65.380 flat angles P-C4'-P energy: -48.518 tors. eta vs tors. theta energy: -101.421 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: 4, replica: 9 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1003.850495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.850495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.850495 (E_RNA) where: Base-Base interactions energy: -675.921 where: short stacking energy: -272.614 Base-Backbone interact. energy: -2.178 local terms energy: -325.751546 where: bonds (distance) C4'-P energy: -55.539 bonds (distance) P-C4' energy: -59.672 flat angles C4'-P-C4' energy: -70.525 flat angles P-C4'-P energy: -54.295 tors. eta vs tors. theta energy: -85.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -939.596655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.596655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.596655 (E_RNA) where: Base-Base interactions energy: -629.478 where: short stacking energy: -264.362 Base-Backbone interact. energy: -2.479 local terms energy: -307.639741 where: bonds (distance) C4'-P energy: -56.465 bonds (distance) P-C4' energy: -52.923 flat angles C4'-P-C4' energy: -76.996 flat angles P-C4'-P energy: -48.614 tors. eta vs tors. theta energy: -72.642 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: 1 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -887.279879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.279879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.279879 (E_RNA) where: Base-Base interactions energy: -608.319 where: short stacking energy: -266.246 Base-Backbone interact. energy: -0.615 local terms energy: -278.346315 where: bonds (distance) C4'-P energy: -59.643 bonds (distance) P-C4' energy: -55.413 flat angles C4'-P-C4' energy: -59.076 flat angles P-C4'-P energy: -36.944 tors. eta vs tors. theta energy: -67.271 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: 5 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -762.374348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.374348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.374348 (E_RNA) where: Base-Base interactions energy: -518.659 where: short stacking energy: -221.332 Base-Backbone interact. energy: -1.823 local terms energy: -241.891747 where: bonds (distance) C4'-P energy: -45.436 bonds (distance) P-C4' energy: -66.451 flat angles C4'-P-C4' energy: -48.124 flat angles P-C4'-P energy: -37.943 tors. eta vs tors. theta energy: -43.939 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: 316 Temperature: 1.250000 Total energy: -760.597002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.597002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.597002 (E_RNA) where: Base-Base interactions energy: -488.588 where: short stacking energy: -229.406 Base-Backbone interact. energy: 0.397 local terms energy: -272.405723 where: bonds (distance) C4'-P energy: -49.217 bonds (distance) P-C4' energy: -67.731 flat angles C4'-P-C4' energy: -59.516 flat angles P-C4'-P energy: -35.979 tors. eta vs tors. theta energy: -59.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -559.586282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.586282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.586282 (E_RNA) where: Base-Base interactions energy: -330.584 where: short stacking energy: -160.864 Base-Backbone interact. energy: 1.434 local terms energy: -230.436585 where: bonds (distance) C4'-P energy: -63.440 bonds (distance) P-C4' energy: -52.421 flat angles C4'-P-C4' energy: -54.440 flat angles P-C4'-P energy: -35.339 tors. eta vs tors. theta energy: -24.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -482.922027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.922027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.922027 (E_RNA) where: Base-Base interactions energy: -286.347 where: short stacking energy: -137.097 Base-Backbone interact. energy: -1.098 local terms energy: -195.476512 where: bonds (distance) C4'-P energy: -45.065 bonds (distance) P-C4' energy: -64.051 flat angles C4'-P-C4' energy: -50.874 flat angles P-C4'-P energy: -24.072 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: 1, replica: 10 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1162.293993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.293993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.293993 (E_RNA) where: Base-Base interactions energy: -814.031 where: short stacking energy: -335.029 Base-Backbone interact. energy: -0.451 local terms energy: -347.811805 where: bonds (distance) C4'-P energy: -58.845 bonds (distance) P-C4' energy: -63.300 flat angles C4'-P-C4' energy: -72.030 flat angles P-C4'-P energy: -54.072 tors. eta vs tors. theta energy: -99.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1133.562492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.562492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.562492 (E_RNA) where: Base-Base interactions energy: -770.028 where: short stacking energy: -357.959 Base-Backbone interact. energy: -1.491 local terms energy: -362.043619 where: bonds (distance) C4'-P energy: -63.707 bonds (distance) P-C4' energy: -69.573 flat angles C4'-P-C4' energy: -72.986 flat angles P-C4'-P energy: -45.855 tors. eta vs tors. theta energy: -109.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1114.491931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.491931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.491931 (E_RNA) where: Base-Base interactions energy: -770.413 where: short stacking energy: -310.552 Base-Backbone interact. energy: -1.103 local terms energy: -342.976090 where: bonds (distance) C4'-P energy: -60.465 bonds (distance) P-C4' energy: -67.867 flat angles C4'-P-C4' energy: -72.380 flat angles P-C4'-P energy: -49.467 tors. eta vs tors. theta energy: -92.797 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: 4, replica: 9 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1007.856582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.856582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.856582 (E_RNA) where: Base-Base interactions energy: -682.460 where: short stacking energy: -298.306 Base-Backbone interact. energy: -2.034 local terms energy: -323.362272 where: bonds (distance) C4'-P energy: -50.983 bonds (distance) P-C4' energy: -69.793 flat angles C4'-P-C4' energy: -69.947 flat angles P-C4'-P energy: -41.593 tors. eta vs tors. theta energy: -91.046 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: 6 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -914.213727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.213727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.213727 (E_RNA) where: Base-Base interactions energy: -609.534 where: short stacking energy: -273.701 Base-Backbone interact. energy: -1.549 local terms energy: -303.131232 where: bonds (distance) C4'-P energy: -54.437 bonds (distance) P-C4' energy: -60.301 flat angles C4'-P-C4' energy: -70.880 flat angles P-C4'-P energy: -46.982 tors. eta vs tors. theta energy: -70.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -851.907189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.907189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.907189 (E_RNA) where: Base-Base interactions energy: -572.430 where: short stacking energy: -248.268 Base-Backbone interact. energy: -2.337 local terms energy: -277.140592 where: bonds (distance) C4'-P energy: -65.231 bonds (distance) P-C4' energy: -47.516 flat angles C4'-P-C4' energy: -68.933 flat angles P-C4'-P energy: -41.286 tors. eta vs tors. theta energy: -54.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -768.879318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.879318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.879318 (E_RNA) where: Base-Base interactions energy: -505.410 where: short stacking energy: -221.414 Base-Backbone interact. energy: 0.683 local terms energy: -264.152508 where: bonds (distance) C4'-P energy: -49.968 bonds (distance) P-C4' energy: -63.216 flat angles C4'-P-C4' energy: -61.584 flat angles P-C4'-P energy: -41.325 tors. eta vs tors. theta energy: -48.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -711.391949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.391949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.391949 (E_RNA) where: Base-Base interactions energy: -464.753 where: short stacking energy: -196.697 Base-Backbone interact. energy: -1.441 local terms energy: -245.197696 where: bonds (distance) C4'-P energy: -60.553 bonds (distance) P-C4' energy: -59.387 flat angles C4'-P-C4' energy: -42.942 flat angles P-C4'-P energy: -41.084 tors. eta vs tors. theta energy: -41.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -547.731307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.731307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.731307 (E_RNA) where: Base-Base interactions energy: -336.520 where: short stacking energy: -154.307 Base-Backbone interact. energy: 2.274 local terms energy: -213.485359 where: bonds (distance) C4'-P energy: -40.843 bonds (distance) P-C4' energy: -60.555 flat angles C4'-P-C4' energy: -57.827 flat angles P-C4'-P energy: -35.510 tors. eta vs tors. theta energy: -18.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -462.224190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.224190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.224190 (E_RNA) where: Base-Base interactions energy: -289.592 where: short stacking energy: -125.380 Base-Backbone interact. energy: -0.786 local terms energy: -171.846606 where: bonds (distance) C4'-P energy: -60.647 bonds (distance) P-C4' energy: -41.271 flat angles C4'-P-C4' energy: -36.005 flat angles P-C4'-P energy: -13.569 tors. eta vs tors. theta energy: -20.356 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: 3 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1145.741535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.741535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.741535 (E_RNA) where: Base-Base interactions energy: -768.665 where: short stacking energy: -358.174 Base-Backbone interact. energy: -2.531 local terms energy: -374.545001 where: bonds (distance) C4'-P energy: -63.306 bonds (distance) P-C4' energy: -69.378 flat angles C4'-P-C4' energy: -75.247 flat angles P-C4'-P energy: -55.369 tors. eta vs tors. theta energy: -111.244 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: 10 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1138.164359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.164359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.164359 (E_RNA) where: Base-Base interactions energy: -789.809 where: short stacking energy: -336.575 Base-Backbone interact. energy: -1.092 local terms energy: -347.262942 where: bonds (distance) C4'-P energy: -60.717 bonds (distance) P-C4' energy: -67.722 flat angles C4'-P-C4' energy: -70.584 flat angles P-C4'-P energy: -49.830 tors. eta vs tors. theta energy: -98.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1122.898784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.898784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.898784 (E_RNA) where: Base-Base interactions energy: -777.438 where: short stacking energy: -333.964 Base-Backbone interact. energy: 0.049 local terms energy: -345.510405 where: bonds (distance) C4'-P energy: -61.502 bonds (distance) P-C4' energy: -50.657 flat angles C4'-P-C4' energy: -80.330 flat angles P-C4'-P energy: -52.056 tors. eta vs tors. theta energy: -100.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1020.002763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.002763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.002763 (E_RNA) where: Base-Base interactions energy: -693.171 where: short stacking energy: -309.669 Base-Backbone interact. energy: -1.037 local terms energy: -325.794031 where: bonds (distance) C4'-P energy: -61.663 bonds (distance) P-C4' energy: -66.080 flat angles C4'-P-C4' energy: -70.556 flat angles P-C4'-P energy: -45.447 tors. eta vs tors. theta energy: -82.049 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: 6 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -956.881003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.881003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.881003 (E_RNA) where: Base-Base interactions energy: -660.297 where: short stacking energy: -283.809 Base-Backbone interact. energy: -1.690 local terms energy: -294.893812 where: bonds (distance) C4'-P energy: -53.419 bonds (distance) P-C4' energy: -50.488 flat angles C4'-P-C4' energy: -63.097 flat angles P-C4'-P energy: -48.709 tors. eta vs tors. theta energy: -79.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -877.954814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.954814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.954814 (E_RNA) where: Base-Base interactions energy: -591.782 where: short stacking energy: -267.718 Base-Backbone interact. energy: -1.856 local terms energy: -284.316075 where: bonds (distance) C4'-P energy: -48.258 bonds (distance) P-C4' energy: -60.903 flat angles C4'-P-C4' energy: -60.665 flat angles P-C4'-P energy: -43.835 tors. eta vs tors. theta energy: -70.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -740.621328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.621328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.621328 (E_RNA) where: Base-Base interactions energy: -478.382 where: short stacking energy: -206.611 Base-Backbone interact. energy: -1.203 local terms energy: -261.037241 where: bonds (distance) C4'-P energy: -61.404 bonds (distance) P-C4' energy: -59.966 flat angles C4'-P-C4' energy: -58.849 flat angles P-C4'-P energy: -40.345 tors. eta vs tors. theta energy: -40.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -722.605124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.605124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.605124 (E_RNA) where: Base-Base interactions energy: -471.649 where: short stacking energy: -216.887 Base-Backbone interact. energy: -0.591 local terms energy: -250.365724 where: bonds (distance) C4'-P energy: -63.674 bonds (distance) P-C4' energy: -47.087 flat angles C4'-P-C4' energy: -49.027 flat angles P-C4'-P energy: -31.404 tors. eta vs tors. theta energy: -59.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -554.938090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.938090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.938090 (E_RNA) where: Base-Base interactions energy: -349.087 where: short stacking energy: -165.274 Base-Backbone interact. energy: 1.408 local terms energy: -207.258974 where: bonds (distance) C4'-P energy: -42.722 bonds (distance) P-C4' energy: -56.020 flat angles C4'-P-C4' energy: -50.286 flat angles P-C4'-P energy: -38.013 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: 10, replica: 2 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -480.367833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.367833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.367833 (E_RNA) where: Base-Base interactions energy: -283.931 where: short stacking energy: -133.487 Base-Backbone interact. energy: -1.579 local terms energy: -194.858675 where: bonds (distance) C4'-P energy: -51.155 bonds (distance) P-C4' energy: -54.218 flat angles C4'-P-C4' energy: -45.544 flat angles P-C4'-P energy: -39.215 tors. eta vs tors. theta energy: -4.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1145.657872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.657872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.657872 (E_RNA) where: Base-Base interactions energy: -783.800 where: short stacking energy: -351.208 Base-Backbone interact. energy: -1.605 local terms energy: -360.253052 where: bonds (distance) C4'-P energy: -64.551 bonds (distance) P-C4' energy: -62.852 flat angles C4'-P-C4' energy: -69.290 flat angles P-C4'-P energy: -55.817 tors. eta vs tors. theta energy: -107.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1162.055139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.055139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.055139 (E_RNA) where: Base-Base interactions energy: -810.122 where: short stacking energy: -317.775 Base-Backbone interact. energy: -1.858 local terms energy: -350.074591 where: bonds (distance) C4'-P energy: -66.680 bonds (distance) P-C4' energy: -64.299 flat angles C4'-P-C4' energy: -73.702 flat angles P-C4'-P energy: -51.622 tors. eta vs tors. theta energy: -93.771 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: 3, replica: 8 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1119.530706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.530706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.530706 (E_RNA) where: Base-Base interactions energy: -776.571 where: short stacking energy: -324.704 Base-Backbone interact. energy: 0.752 local terms energy: -343.711296 where: bonds (distance) C4'-P energy: -66.124 bonds (distance) P-C4' energy: -58.766 flat angles C4'-P-C4' energy: -66.358 flat angles P-C4'-P energy: -53.131 tors. eta vs tors. theta energy: -99.332 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: 9 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -989.843943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.843943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.843943 (E_RNA) where: Base-Base interactions energy: -695.510 where: short stacking energy: -296.869 Base-Backbone interact. energy: -0.131 local terms energy: -294.202853 where: bonds (distance) C4'-P energy: -56.735 bonds (distance) P-C4' energy: -66.515 flat angles C4'-P-C4' energy: -57.101 flat angles P-C4'-P energy: -34.335 tors. eta vs tors. theta energy: -79.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -948.275414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.275414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.275414 (E_RNA) where: Base-Base interactions energy: -658.056 where: short stacking energy: -276.270 Base-Backbone interact. energy: -0.517 local terms energy: -289.702367 where: bonds (distance) C4'-P energy: -37.411 bonds (distance) P-C4' energy: -66.783 flat angles C4'-P-C4' energy: -67.799 flat angles P-C4'-P energy: -40.447 tors. eta vs tors. theta energy: -77.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -906.567864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.567864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.567864 (E_RNA) where: Base-Base interactions energy: -611.267 where: short stacking energy: -260.452 Base-Backbone interact. energy: -0.061 local terms energy: -295.239708 where: bonds (distance) C4'-P energy: -60.687 bonds (distance) P-C4' energy: -54.535 flat angles C4'-P-C4' energy: -58.913 flat angles P-C4'-P energy: -42.973 tors. eta vs tors. theta energy: -78.132 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: 319 Temperature: 1.200000 Total energy: -720.185466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.185466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.185466 (E_RNA) where: Base-Base interactions energy: -485.928 where: short stacking energy: -214.296 Base-Backbone interact. energy: -0.864 local terms energy: -233.393523 where: bonds (distance) C4'-P energy: -49.075 bonds (distance) P-C4' energy: -46.770 flat angles C4'-P-C4' energy: -52.963 flat angles P-C4'-P energy: -29.989 tors. eta vs tors. theta energy: -54.596 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: 8, replica: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -730.398728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.398728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.398728 (E_RNA) where: Base-Base interactions energy: -489.532 where: short stacking energy: -187.420 Base-Backbone interact. energy: 1.144 local terms energy: -242.011327 where: bonds (distance) C4'-P energy: -53.688 bonds (distance) P-C4' energy: -56.918 flat angles C4'-P-C4' energy: -44.298 flat angles P-C4'-P energy: -40.383 tors. eta vs tors. theta energy: -46.725 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: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -588.932167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.932167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.932167 (E_RNA) where: Base-Base interactions energy: -350.324 where: short stacking energy: -175.646 Base-Backbone interact. energy: -1.342 local terms energy: -237.265510 where: bonds (distance) C4'-P energy: -55.951 bonds (distance) P-C4' energy: -65.491 flat angles C4'-P-C4' energy: -63.630 flat angles P-C4'-P energy: -24.177 tors. eta vs tors. theta energy: -28.017 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: 10, replica: 2 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -543.415706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.415706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.415706 (E_RNA) where: Base-Base interactions energy: -345.688 where: short stacking energy: -170.153 Base-Backbone interact. energy: -0.786 local terms energy: -196.941298 where: bonds (distance) C4'-P energy: -49.643 bonds (distance) P-C4' energy: -58.220 flat angles C4'-P-C4' energy: -48.501 flat angles P-C4'-P energy: -19.684 tors. eta vs tors. theta energy: -20.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1159.707532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.707532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.707532 (E_RNA) where: Base-Base interactions energy: -800.700 where: short stacking energy: -332.920 Base-Backbone interact. energy: -1.891 local terms energy: -357.117287 where: bonds (distance) C4'-P energy: -73.437 bonds (distance) P-C4' energy: -65.581 flat angles C4'-P-C4' energy: -73.734 flat angles P-C4'-P energy: -52.223 tors. eta vs tors. theta energy: -92.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1128.011761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.011761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.011761 (E_RNA) where: Base-Base interactions energy: -767.567 where: short stacking energy: -345.227 Base-Backbone interact. energy: -1.873 local terms energy: -358.571805 where: bonds (distance) C4'-P energy: -51.307 bonds (distance) P-C4' energy: -76.838 flat angles C4'-P-C4' energy: -69.065 flat angles P-C4'-P energy: -51.547 tors. eta vs tors. theta energy: -109.815 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: 8 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1130.342216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.342216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.342216 (E_RNA) where: Base-Base interactions energy: -792.698 where: short stacking energy: -315.429 Base-Backbone interact. energy: -0.514 local terms energy: -337.130211 where: bonds (distance) C4'-P energy: -51.578 bonds (distance) P-C4' energy: -65.560 flat angles C4'-P-C4' energy: -69.747 flat angles P-C4'-P energy: -54.982 tors. eta vs tors. theta energy: -95.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1020.383258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.383258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.383258 (E_RNA) where: Base-Base interactions energy: -701.695 where: short stacking energy: -320.701 Base-Backbone interact. energy: -1.092 local terms energy: -317.596447 where: bonds (distance) C4'-P energy: -46.176 bonds (distance) P-C4' energy: -63.752 flat angles C4'-P-C4' energy: -70.752 flat angles P-C4'-P energy: -50.499 tors. eta vs tors. theta energy: -86.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -990.447531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.447531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.447531 (E_RNA) where: Base-Base interactions energy: -669.185 where: short stacking energy: -290.375 Base-Backbone interact. energy: -1.663 local terms energy: -319.599568 where: bonds (distance) C4'-P energy: -50.942 bonds (distance) P-C4' energy: -63.450 flat angles C4'-P-C4' energy: -78.041 flat angles P-C4'-P energy: -43.663 tors. eta vs tors. theta energy: -83.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -881.827491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.827491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.827491 (E_RNA) where: Base-Base interactions energy: -574.301 where: short stacking energy: -247.976 Base-Backbone interact. energy: -1.199 local terms energy: -306.327170 where: bonds (distance) C4'-P energy: -60.573 bonds (distance) P-C4' energy: -63.688 flat angles C4'-P-C4' energy: -71.864 flat angles P-C4'-P energy: -42.201 tors. eta vs tors. theta energy: -68.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -808.265662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.265662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.265662 (E_RNA) where: Base-Base interactions energy: -528.157 where: short stacking energy: -229.527 Base-Backbone interact. energy: 0.510 local terms energy: -280.618671 where: bonds (distance) C4'-P energy: -49.278 bonds (distance) P-C4' energy: -68.264 flat angles C4'-P-C4' energy: -62.078 flat angles P-C4'-P energy: -42.955 tors. eta vs tors. theta energy: -58.044 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: 8, replica: 5 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -709.774102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.774102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.774102 (E_RNA) where: Base-Base interactions energy: -464.395 where: short stacking energy: -224.784 Base-Backbone interact. energy: -0.449 local terms energy: -244.929903 where: bonds (distance) C4'-P energy: -51.813 bonds (distance) P-C4' energy: -55.219 flat angles C4'-P-C4' energy: -58.348 flat angles P-C4'-P energy: -27.785 tors. eta vs tors. theta energy: -51.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -624.174032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.174032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.174032 (E_RNA) where: Base-Base interactions energy: -396.225 where: short stacking energy: -173.907 Base-Backbone interact. energy: -0.726 local terms energy: -227.223060 where: bonds (distance) C4'-P energy: -63.626 bonds (distance) P-C4' energy: -45.181 flat angles C4'-P-C4' energy: -53.033 flat angles P-C4'-P energy: -33.998 tors. eta vs tors. theta energy: -31.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -545.900539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.900539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.900539 (E_RNA) where: Base-Base interactions energy: -343.152 where: short stacking energy: -161.244 Base-Backbone interact. energy: 1.812 local terms energy: -204.560221 where: bonds (distance) C4'-P energy: -42.845 bonds (distance) P-C4' energy: -63.227 flat angles C4'-P-C4' energy: -44.656 flat angles P-C4'-P energy: -23.999 tors. eta vs tors. theta energy: -29.833 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: 1, replica: 10 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1148.835676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.835676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.835676 (E_RNA) where: Base-Base interactions energy: -803.817 where: short stacking energy: -344.532 Base-Backbone interact. energy: -1.273 local terms energy: -343.745617 where: bonds (distance) C4'-P energy: -59.752 bonds (distance) P-C4' energy: -58.797 flat angles C4'-P-C4' energy: -69.330 flat angles P-C4'-P energy: -49.704 tors. eta vs tors. theta energy: -106.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1155.280523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.280523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.280523 (E_RNA) where: Base-Base interactions energy: -800.193 where: short stacking energy: -327.565 Base-Backbone interact. energy: -1.905 local terms energy: -353.182594 where: bonds (distance) C4'-P energy: -69.315 bonds (distance) P-C4' energy: -59.934 flat angles C4'-P-C4' energy: -77.066 flat angles P-C4'-P energy: -47.246 tors. eta vs tors. theta energy: -99.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1108.075221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.075221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.075221 (E_RNA) where: Base-Base interactions energy: -767.083 where: short stacking energy: -354.640 Base-Backbone interact. energy: -2.349 local terms energy: -338.643772 where: bonds (distance) C4'-P energy: -50.720 bonds (distance) P-C4' energy: -63.200 flat angles C4'-P-C4' energy: -75.021 flat angles P-C4'-P energy: -47.156 tors. eta vs tors. theta energy: -102.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1004.699300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.699300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.699300 (E_RNA) where: Base-Base interactions energy: -673.629 where: short stacking energy: -297.677 Base-Backbone interact. energy: -2.507 local terms energy: -328.563090 where: bonds (distance) C4'-P energy: -65.405 bonds (distance) P-C4' energy: -64.974 flat angles C4'-P-C4' energy: -71.280 flat angles P-C4'-P energy: -46.424 tors. eta vs tors. theta energy: -80.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -965.874723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.874723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.874723 (E_RNA) where: Base-Base interactions energy: -684.274 where: short stacking energy: -284.570 Base-Backbone interact. energy: 0.053 local terms energy: -281.654309 where: bonds (distance) C4'-P energy: -51.002 bonds (distance) P-C4' energy: -52.153 flat angles C4'-P-C4' energy: -55.912 flat angles P-C4'-P energy: -38.765 tors. eta vs tors. theta energy: -83.823 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: 1 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -855.302437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.302437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.302437 (E_RNA) where: Base-Base interactions energy: -564.686 where: short stacking energy: -260.677 Base-Backbone interact. energy: -2.347 local terms energy: -288.270241 where: bonds (distance) C4'-P energy: -57.090 bonds (distance) P-C4' energy: -59.295 flat angles C4'-P-C4' energy: -62.238 flat angles P-C4'-P energy: -40.590 tors. eta vs tors. theta energy: -69.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -842.167278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.167278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.167278 (E_RNA) where: Base-Base interactions energy: -575.794 where: short stacking energy: -251.872 Base-Backbone interact. energy: -2.655 local terms energy: -263.718173 where: bonds (distance) C4'-P energy: -49.788 bonds (distance) P-C4' energy: -55.458 flat angles C4'-P-C4' energy: -61.432 flat angles P-C4'-P energy: -24.718 tors. eta vs tors. theta energy: -72.321 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: 5 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -692.281483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.281483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.281483 (E_RNA) where: Base-Base interactions energy: -435.270 where: short stacking energy: -194.794 Base-Backbone interact. energy: 1.108 local terms energy: -258.119080 where: bonds (distance) C4'-P energy: -44.047 bonds (distance) P-C4' energy: -64.644 flat angles C4'-P-C4' energy: -65.084 flat angles P-C4'-P energy: -38.671 tors. eta vs tors. theta energy: -45.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -587.278140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.278140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.278140 (E_RNA) where: Base-Base interactions energy: -377.042 where: short stacking energy: -162.827 Base-Backbone interact. energy: -1.462 local terms energy: -208.774577 where: bonds (distance) C4'-P energy: -43.398 bonds (distance) P-C4' energy: -46.378 flat angles C4'-P-C4' energy: -50.869 flat angles P-C4'-P energy: -39.926 tors. eta vs tors. theta energy: -28.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -487.635555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.635555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.635555 (E_RNA) where: Base-Base interactions energy: -291.061 where: short stacking energy: -120.322 Base-Backbone interact. energy: -1.531 local terms energy: -195.043429 where: bonds (distance) C4'-P energy: -42.198 bonds (distance) P-C4' energy: -56.432 flat angles C4'-P-C4' energy: -45.522 flat angles P-C4'-P energy: -37.751 tors. eta vs tors. theta energy: -13.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1164.357251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.357251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.357251 (E_RNA) where: Base-Base interactions energy: -808.118 where: short stacking energy: -327.738 Base-Backbone interact. energy: -2.267 local terms energy: -353.972152 where: bonds (distance) C4'-P energy: -68.044 bonds (distance) P-C4' energy: -65.778 flat angles C4'-P-C4' energy: -71.118 flat angles P-C4'-P energy: -54.564 tors. eta vs tors. theta energy: -94.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1150.765277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.765277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.765277 (E_RNA) where: Base-Base interactions energy: -796.652 where: short stacking energy: -325.163 Base-Backbone interact. energy: 1.079 local terms energy: -355.192089 where: bonds (distance) C4'-P energy: -60.838 bonds (distance) P-C4' energy: -57.154 flat angles C4'-P-C4' energy: -74.278 flat angles P-C4'-P energy: -57.474 tors. eta vs tors. theta energy: -105.448 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: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1083.801496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.801496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.801496 (E_RNA) where: Base-Base interactions energy: -728.918 where: short stacking energy: -347.031 Base-Backbone interact. energy: -2.157 local terms energy: -352.726612 where: bonds (distance) C4'-P energy: -52.421 bonds (distance) P-C4' energy: -66.182 flat angles C4'-P-C4' energy: -75.340 flat angles P-C4'-P energy: -48.259 tors. eta vs tors. theta energy: -110.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1015.033946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.033946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.033946 (E_RNA) where: Base-Base interactions energy: -695.596 where: short stacking energy: -291.761 Base-Backbone interact. energy: 0.644 local terms energy: -320.081666 where: bonds (distance) C4'-P energy: -57.490 bonds (distance) P-C4' energy: -57.884 flat angles C4'-P-C4' energy: -68.567 flat angles P-C4'-P energy: -43.176 tors. eta vs tors. theta energy: -92.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -967.672855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.672855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.672855 (E_RNA) where: Base-Base interactions energy: -660.803 where: short stacking energy: -265.095 Base-Backbone interact. energy: -1.702 local terms energy: -305.167891 where: bonds (distance) C4'-P energy: -62.286 bonds (distance) P-C4' energy: -58.084 flat angles C4'-P-C4' energy: -67.006 flat angles P-C4'-P energy: -33.836 tors. eta vs tors. theta energy: -83.957 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: 1 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -871.882313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.882313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.882313 (E_RNA) where: Base-Base interactions energy: -588.066 where: short stacking energy: -245.067 Base-Backbone interact. energy: 0.291 local terms energy: -284.107756 where: bonds (distance) C4'-P energy: -62.943 bonds (distance) P-C4' energy: -57.982 flat angles C4'-P-C4' energy: -61.737 flat angles P-C4'-P energy: -41.749 tors. eta vs tors. theta energy: -59.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -820.846775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.846775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.846775 (E_RNA) where: Base-Base interactions energy: -552.004 where: short stacking energy: -239.512 Base-Backbone interact. energy: -1.044 local terms energy: -267.799168 where: bonds (distance) C4'-P energy: -42.689 bonds (distance) P-C4' energy: -58.801 flat angles C4'-P-C4' energy: -62.698 flat angles P-C4'-P energy: -38.600 tors. eta vs tors. theta energy: -65.010 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: 5 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -746.469430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.469430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.469430 (E_RNA) where: Base-Base interactions energy: -489.136 where: short stacking energy: -218.519 Base-Backbone interact. energy: -0.878 local terms energy: -256.454834 where: bonds (distance) C4'-P energy: -63.379 bonds (distance) P-C4' energy: -61.058 flat angles C4'-P-C4' energy: -50.811 flat angles P-C4'-P energy: -36.134 tors. eta vs tors. theta energy: -45.073 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: 2 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -559.872874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.872874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.872874 (E_RNA) where: Base-Base interactions energy: -343.888 where: short stacking energy: -158.910 Base-Backbone interact. energy: -0.437 local terms energy: -215.548552 where: bonds (distance) C4'-P energy: -55.985 bonds (distance) P-C4' energy: -54.726 flat angles C4'-P-C4' energy: -54.832 flat angles P-C4'-P energy: -26.603 tors. eta vs tors. theta energy: -23.403 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: 7 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -519.795312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.795312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.795312 (E_RNA) where: Base-Base interactions energy: -318.018 where: short stacking energy: -159.385 Base-Backbone interact. energy: -2.546 local terms energy: -199.231726 where: bonds (distance) C4'-P energy: -52.767 bonds (distance) P-C4' energy: -49.857 flat angles C4'-P-C4' energy: -42.645 flat angles P-C4'-P energy: -37.928 tors. eta vs tors. theta energy: -16.035 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: 1, replica: 10 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1170.524355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.524355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.524355 (E_RNA) where: Base-Base interactions energy: -812.319 where: short stacking energy: -317.660 Base-Backbone interact. energy: -2.332 local terms energy: -355.873425 where: bonds (distance) C4'-P energy: -68.550 bonds (distance) P-C4' energy: -65.467 flat angles C4'-P-C4' energy: -75.777 flat angles P-C4'-P energy: -48.768 tors. eta vs tors. theta energy: -97.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1142.185146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.185146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.185146 (E_RNA) where: Base-Base interactions energy: -790.703 where: short stacking energy: -313.683 Base-Backbone interact. energy: -2.330 local terms energy: -349.152359 where: bonds (distance) C4'-P energy: -59.762 bonds (distance) P-C4' energy: -66.433 flat angles C4'-P-C4' energy: -69.703 flat angles P-C4'-P energy: -53.834 tors. eta vs tors. theta energy: -99.421 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: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1067.935066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.935066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.935066 (E_RNA) where: Base-Base interactions energy: -728.045 where: short stacking energy: -326.933 Base-Backbone interact. energy: 0.256 local terms energy: -340.146192 where: bonds (distance) C4'-P energy: -63.837 bonds (distance) P-C4' energy: -59.467 flat angles C4'-P-C4' energy: -70.848 flat angles P-C4'-P energy: -50.298 tors. eta vs tors. theta energy: -95.696 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: 323 Temperature: 1.050000 Total energy: -1015.942345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.942345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.942345 (E_RNA) where: Base-Base interactions energy: -671.499 where: short stacking energy: -300.069 Base-Backbone interact. energy: -0.485 local terms energy: -343.958592 where: bonds (distance) C4'-P energy: -71.880 bonds (distance) P-C4' energy: -59.960 flat angles C4'-P-C4' energy: -71.013 flat angles P-C4'-P energy: -49.591 tors. eta vs tors. theta energy: -91.514 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: 5, replica: 9 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -990.244684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.244684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.244684 (E_RNA) where: Base-Base interactions energy: -685.715 where: short stacking energy: -300.079 Base-Backbone interact. energy: -0.873 local terms energy: -303.656452 where: bonds (distance) C4'-P energy: -64.426 bonds (distance) P-C4' energy: -58.427 flat angles C4'-P-C4' energy: -65.048 flat angles P-C4'-P energy: -33.713 tors. eta vs tors. theta energy: -82.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -856.419397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.419397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.419397 (E_RNA) where: Base-Base interactions energy: -584.023 where: short stacking energy: -268.432 Base-Backbone interact. energy: -0.366 local terms energy: -272.030021 where: bonds (distance) C4'-P energy: -46.122 bonds (distance) P-C4' energy: -56.403 flat angles C4'-P-C4' energy: -60.390 flat angles P-C4'-P energy: -40.131 tors. eta vs tors. theta energy: -68.985 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: 323 Temperature: 1.200000 Total energy: -827.486610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.486610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.486610 (E_RNA) where: Base-Base interactions energy: -548.630 where: short stacking energy: -236.025 Base-Backbone interact. energy: -0.844 local terms energy: -278.012686 where: bonds (distance) C4'-P energy: -52.226 bonds (distance) P-C4' energy: -54.864 flat angles C4'-P-C4' energy: -68.021 flat angles P-C4'-P energy: -37.538 tors. eta vs tors. theta energy: -65.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -759.508135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.508135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.508135 (E_RNA) where: Base-Base interactions energy: -483.060 where: short stacking energy: -215.804 Base-Backbone interact. energy: -1.140 local terms energy: -275.307847 where: bonds (distance) C4'-P energy: -63.225 bonds (distance) P-C4' energy: -67.336 flat angles C4'-P-C4' energy: -49.928 flat angles P-C4'-P energy: -41.638 tors. eta vs tors. theta energy: -53.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -592.404012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.404012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.404012 (E_RNA) where: Base-Base interactions energy: -372.878 where: short stacking energy: -176.760 Base-Backbone interact. energy: 3.260 local terms energy: -222.786912 where: bonds (distance) C4'-P energy: -52.180 bonds (distance) P-C4' energy: -58.984 flat angles C4'-P-C4' energy: -51.007 flat angles P-C4'-P energy: -30.983 tors. eta vs tors. theta energy: -29.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -535.284031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.284031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.284031 (E_RNA) where: Base-Base interactions energy: -346.975 where: short stacking energy: -161.443 Base-Backbone interact. energy: -0.525 local terms energy: -187.783990 where: bonds (distance) C4'-P energy: -46.029 bonds (distance) P-C4' energy: -51.279 flat angles C4'-P-C4' energy: -40.098 flat angles P-C4'-P energy: -25.946 tors. eta vs tors. theta energy: -24.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1145.367871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.367871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.367871 (E_RNA) where: Base-Base interactions energy: -787.624 where: short stacking energy: -319.194 Base-Backbone interact. energy: -1.089 local terms energy: -356.654051 where: bonds (distance) C4'-P energy: -64.491 bonds (distance) P-C4' energy: -65.190 flat angles C4'-P-C4' energy: -72.336 flat angles P-C4'-P energy: -51.321 tors. eta vs tors. theta energy: -103.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1138.275733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.275733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.275733 (E_RNA) where: Base-Base interactions energy: -783.424 where: short stacking energy: -331.906 Base-Backbone interact. energy: -0.541 local terms energy: -354.310708 where: bonds (distance) C4'-P energy: -59.113 bonds (distance) P-C4' energy: -71.516 flat angles C4'-P-C4' energy: -75.668 flat angles P-C4'-P energy: -46.517 tors. eta vs tors. theta energy: -101.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1052.618070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.618070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.618070 (E_RNA) where: Base-Base interactions energy: -714.177 where: short stacking energy: -323.078 Base-Backbone interact. energy: 0.380 local terms energy: -338.821415 where: bonds (distance) C4'-P energy: -66.197 bonds (distance) P-C4' energy: -64.028 flat angles C4'-P-C4' energy: -80.524 flat angles P-C4'-P energy: -28.946 tors. eta vs tors. theta energy: -99.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1002.515591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.515591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.515591 (E_RNA) where: Base-Base interactions energy: -697.961 where: short stacking energy: -299.537 Base-Backbone interact. energy: -0.799 local terms energy: -303.755001 where: bonds (distance) C4'-P energy: -54.209 bonds (distance) P-C4' energy: -56.482 flat angles C4'-P-C4' energy: -63.285 flat angles P-C4'-P energy: -44.661 tors. eta vs tors. theta energy: -85.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -960.701968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.701968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.701968 (E_RNA) where: Base-Base interactions energy: -680.689 where: short stacking energy: -292.400 Base-Backbone interact. energy: -2.268 local terms energy: -277.745202 where: bonds (distance) C4'-P energy: -47.185 bonds (distance) P-C4' energy: -53.576 flat angles C4'-P-C4' energy: -65.507 flat angles P-C4'-P energy: -41.459 tors. eta vs tors. theta energy: -70.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -857.135194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.135194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.135194 (E_RNA) where: Base-Base interactions energy: -584.719 where: short stacking energy: -260.951 Base-Backbone interact. energy: -0.655 local terms energy: -271.760720 where: bonds (distance) C4'-P energy: -62.046 bonds (distance) P-C4' energy: -51.721 flat angles C4'-P-C4' energy: -62.341 flat angles P-C4'-P energy: -31.042 tors. eta vs tors. theta energy: -64.610 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: 1 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -843.449149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.449149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.449149 (E_RNA) where: Base-Base interactions energy: -566.853 where: short stacking energy: -236.127 Base-Backbone interact. energy: 1.807 local terms energy: -278.403115 where: bonds (distance) C4'-P energy: -55.505 bonds (distance) P-C4' energy: -57.873 flat angles C4'-P-C4' energy: -57.957 flat angles P-C4'-P energy: -44.079 tors. eta vs tors. theta energy: -62.989 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: 5 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -698.783620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.783620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.783620 (E_RNA) where: Base-Base interactions energy: -443.527 where: short stacking energy: -195.457 Base-Backbone interact. energy: -2.904 local terms energy: -252.352373 where: bonds (distance) C4'-P energy: -50.785 bonds (distance) P-C4' energy: -59.923 flat angles C4'-P-C4' energy: -52.421 flat angles P-C4'-P energy: -36.824 tors. eta vs tors. theta energy: -52.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -583.072567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.072567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.072567 (E_RNA) where: Base-Base interactions energy: -373.955 where: short stacking energy: -167.145 Base-Backbone interact. energy: -0.426 local terms energy: -208.692235 where: bonds (distance) C4'-P energy: -37.738 bonds (distance) P-C4' energy: -51.504 flat angles C4'-P-C4' energy: -49.330 flat angles P-C4'-P energy: -34.059 tors. eta vs tors. theta energy: -36.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -538.028758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.028758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.028758 (E_RNA) where: Base-Base interactions energy: -328.105 where: short stacking energy: -156.248 Base-Backbone interact. energy: -1.806 local terms energy: -208.118274 where: bonds (distance) C4'-P energy: -46.113 bonds (distance) P-C4' energy: -51.387 flat angles C4'-P-C4' energy: -55.606 flat angles P-C4'-P energy: -31.522 tors. eta vs tors. theta energy: -23.490 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: 1, replica: 10 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1158.486591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.486591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.486591 (E_RNA) where: Base-Base interactions energy: -813.291 where: short stacking energy: -316.932 Base-Backbone interact. energy: -1.395 local terms energy: -343.800317 where: bonds (distance) C4'-P energy: -60.662 bonds (distance) P-C4' energy: -72.585 flat angles C4'-P-C4' energy: -71.139 flat angles P-C4'-P energy: -45.200 tors. eta vs tors. theta energy: -94.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1160.134821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.134821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.134821 (E_RNA) where: Base-Base interactions energy: -809.267 where: short stacking energy: -345.018 Base-Backbone interact. energy: -4.239 local terms energy: -346.628801 where: bonds (distance) C4'-P energy: -67.013 bonds (distance) P-C4' energy: -59.949 flat angles C4'-P-C4' energy: -70.633 flat angles P-C4'-P energy: -46.470 tors. eta vs tors. theta energy: -102.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1078.556605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.556605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.556605 (E_RNA) where: Base-Base interactions energy: -736.235 where: short stacking energy: -334.109 Base-Backbone interact. energy: -1.477 local terms energy: -340.843830 where: bonds (distance) C4'-P energy: -51.987 bonds (distance) P-C4' energy: -61.225 flat angles C4'-P-C4' energy: -76.069 flat angles P-C4'-P energy: -45.342 tors. eta vs tors. theta energy: -106.220 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: 6 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -986.178799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.178799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.178799 (E_RNA) where: Base-Base interactions energy: -666.622 where: short stacking energy: -284.116 Base-Backbone interact. energy: 0.610 local terms energy: -320.166884 where: bonds (distance) C4'-P energy: -62.305 bonds (distance) P-C4' energy: -65.795 flat angles C4'-P-C4' energy: -62.067 flat angles P-C4'-P energy: -42.789 tors. eta vs tors. theta energy: -87.210 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: 9 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -952.033769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.033769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.033769 (E_RNA) where: Base-Base interactions energy: -653.693 where: short stacking energy: -283.945 Base-Backbone interact. energy: 2.738 local terms energy: -301.079266 where: bonds (distance) C4'-P energy: -66.801 bonds (distance) P-C4' energy: -57.748 flat angles C4'-P-C4' energy: -68.338 flat angles P-C4'-P energy: -31.657 tors. eta vs tors. theta energy: -76.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -848.503094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.503094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.503094 (E_RNA) where: Base-Base interactions energy: -562.331 where: short stacking energy: -249.344 Base-Backbone interact. energy: -0.369 local terms energy: -285.802523 where: bonds (distance) C4'-P energy: -49.581 bonds (distance) P-C4' energy: -72.049 flat angles C4'-P-C4' energy: -62.286 flat angles P-C4'-P energy: -32.626 tors. eta vs tors. theta energy: -69.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -844.029775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.029775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.029775 (E_RNA) where: Base-Base interactions energy: -584.243 where: short stacking energy: -244.879 Base-Backbone interact. energy: -0.534 local terms energy: -259.253103 where: bonds (distance) C4'-P energy: -41.275 bonds (distance) P-C4' energy: -57.413 flat angles C4'-P-C4' energy: -54.368 flat angles P-C4'-P energy: -42.552 tors. eta vs tors. theta energy: -63.645 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: 5 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -735.972572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.972572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.972572 (E_RNA) where: Base-Base interactions energy: -506.205 where: short stacking energy: -230.903 Base-Backbone interact. energy: -2.988 local terms energy: -226.779318 where: bonds (distance) C4'-P energy: -52.555 bonds (distance) P-C4' energy: -41.496 flat angles C4'-P-C4' energy: -47.188 flat angles P-C4'-P energy: -28.507 tors. eta vs tors. theta energy: -57.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -609.943980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.943980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.943980 (E_RNA) where: Base-Base interactions energy: -378.212 where: short stacking energy: -179.324 Base-Backbone interact. energy: -0.979 local terms energy: -230.752786 where: bonds (distance) C4'-P energy: -47.277 bonds (distance) P-C4' energy: -58.884 flat angles C4'-P-C4' energy: -59.560 flat angles P-C4'-P energy: -38.446 tors. eta vs tors. theta energy: -26.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -512.815454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.815454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.815454 (E_RNA) where: Base-Base interactions energy: -329.829 where: short stacking energy: -160.004 Base-Backbone interact. energy: 0.016 local terms energy: -183.002773 where: bonds (distance) C4'-P energy: -52.303 bonds (distance) P-C4' energy: -48.716 flat angles C4'-P-C4' energy: -43.544 flat angles P-C4'-P energy: -23.019 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: 1, replica: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1183.559922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.559922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.559922 (E_RNA) where: Base-Base interactions energy: -842.095 where: short stacking energy: -327.363 Base-Backbone interact. energy: -0.877 local terms energy: -340.588043 where: bonds (distance) C4'-P energy: -60.350 bonds (distance) P-C4' energy: -63.950 flat angles C4'-P-C4' energy: -73.010 flat angles P-C4'-P energy: -47.718 tors. eta vs tors. theta energy: -95.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1123.417331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.417331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.417331 (E_RNA) where: Base-Base interactions energy: -783.425 where: short stacking energy: -307.949 Base-Backbone interact. energy: -0.020 local terms energy: -339.972766 where: bonds (distance) C4'-P energy: -62.234 bonds (distance) P-C4' energy: -63.524 flat angles C4'-P-C4' energy: -77.273 flat angles P-C4'-P energy: -45.883 tors. eta vs tors. theta energy: -91.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1033.020934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.020934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.020934 (E_RNA) where: Base-Base interactions energy: -717.977 where: short stacking energy: -303.358 Base-Backbone interact. energy: -0.958 local terms energy: -314.085757 where: bonds (distance) C4'-P energy: -53.101 bonds (distance) P-C4' energy: -56.652 flat angles C4'-P-C4' energy: -69.271 flat angles P-C4'-P energy: -43.374 tors. eta vs tors. theta energy: -91.687 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: 326 Temperature: 1.050000 Total energy: -1034.349454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.349454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.349454 (E_RNA) where: Base-Base interactions energy: -708.763 where: short stacking energy: -319.623 Base-Backbone interact. energy: -1.441 local terms energy: -324.145225 where: bonds (distance) C4'-P energy: -56.545 bonds (distance) P-C4' energy: -63.873 flat angles C4'-P-C4' energy: -64.819 flat angles P-C4'-P energy: -38.298 tors. eta vs tors. theta energy: -100.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -985.109270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.109270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.109270 (E_RNA) where: Base-Base interactions energy: -668.429 where: short stacking energy: -291.754 Base-Backbone interact. energy: 0.478 local terms energy: -317.158013 where: bonds (distance) C4'-P energy: -57.081 bonds (distance) P-C4' energy: -65.885 flat angles C4'-P-C4' energy: -72.809 flat angles P-C4'-P energy: -43.879 tors. eta vs tors. theta energy: -77.504 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: 326 Temperature: 1.150000 Total energy: -854.533612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.533612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.533612 (E_RNA) where: Base-Base interactions energy: -576.205 where: short stacking energy: -269.917 Base-Backbone interact. energy: -0.475 local terms energy: -277.853467 where: bonds (distance) C4'-P energy: -57.997 bonds (distance) P-C4' energy: -53.701 flat angles C4'-P-C4' energy: -59.181 flat angles P-C4'-P energy: -38.095 tors. eta vs tors. theta energy: -68.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -855.335115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.335115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.335115 (E_RNA) where: Base-Base interactions energy: -573.965 where: short stacking energy: -259.851 Base-Backbone interact. energy: -1.993 local terms energy: -279.377037 where: bonds (distance) C4'-P energy: -57.306 bonds (distance) P-C4' energy: -50.953 flat angles C4'-P-C4' energy: -62.362 flat angles P-C4'-P energy: -48.003 tors. eta vs tors. theta energy: -60.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -761.926050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.926050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.926050 (E_RNA) where: Base-Base interactions energy: -506.668 where: short stacking energy: -213.450 Base-Backbone interact. energy: -1.437 local terms energy: -253.820800 where: bonds (distance) C4'-P energy: -57.805 bonds (distance) P-C4' energy: -50.492 flat angles C4'-P-C4' energy: -55.785 flat angles P-C4'-P energy: -37.138 tors. eta vs tors. theta energy: -52.600 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: 9, replica: 2 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -581.582111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.582111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.582111 (E_RNA) where: Base-Base interactions energy: -393.956 where: short stacking energy: -172.117 Base-Backbone interact. energy: -0.679 local terms energy: -186.946961 where: bonds (distance) C4'-P energy: -34.107 bonds (distance) P-C4' energy: -42.233 flat angles C4'-P-C4' energy: -37.074 flat angles P-C4'-P energy: -41.608 tors. eta vs tors. theta energy: -31.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -550.046528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.046528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.046528 (E_RNA) where: Base-Base interactions energy: -337.068 where: short stacking energy: -152.035 Base-Backbone interact. energy: 1.061 local terms energy: -214.039625 where: bonds (distance) C4'-P energy: -50.129 bonds (distance) P-C4' energy: -51.850 flat angles C4'-P-C4' energy: -58.402 flat angles P-C4'-P energy: -30.982 tors. eta vs tors. theta energy: -22.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1192.930936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.930936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.930936 (E_RNA) where: Base-Base interactions energy: -827.480 where: short stacking energy: -341.778 Base-Backbone interact. energy: -3.991 local terms energy: -361.459149 where: bonds (distance) C4'-P energy: -62.290 bonds (distance) P-C4' energy: -75.338 flat angles C4'-P-C4' energy: -73.727 flat angles P-C4'-P energy: -53.866 tors. eta vs tors. theta energy: -96.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1140.556683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.556683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.556683 (E_RNA) where: Base-Base interactions energy: -773.258 where: short stacking energy: -322.904 Base-Backbone interact. energy: -1.342 local terms energy: -365.957240 where: bonds (distance) C4'-P energy: -67.914 bonds (distance) P-C4' energy: -65.291 flat angles C4'-P-C4' energy: -69.670 flat angles P-C4'-P energy: -59.433 tors. eta vs tors. theta energy: -103.649 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: 6 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1004.934335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.934335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.934335 (E_RNA) where: Base-Base interactions energy: -683.779 where: short stacking energy: -303.747 Base-Backbone interact. energy: -0.839 local terms energy: -320.316472 where: bonds (distance) C4'-P energy: -59.806 bonds (distance) P-C4' energy: -61.360 flat angles C4'-P-C4' energy: -70.727 flat angles P-C4'-P energy: -40.398 tors. eta vs tors. theta energy: -88.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1042.694697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.694697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.694697 (E_RNA) where: Base-Base interactions energy: -716.736 where: short stacking energy: -313.161 Base-Backbone interact. energy: -0.845 local terms energy: -325.114001 where: bonds (distance) C4'-P energy: -52.448 bonds (distance) P-C4' energy: -56.561 flat angles C4'-P-C4' energy: -74.332 flat angles P-C4'-P energy: -46.023 tors. eta vs tors. theta energy: -95.750 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: 9 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -973.311941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.311941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.311941 (E_RNA) where: Base-Base interactions energy: -685.039 where: short stacking energy: -294.775 Base-Backbone interact. energy: 3.498 local terms energy: -291.770539 where: bonds (distance) C4'-P energy: -52.328 bonds (distance) P-C4' energy: -63.882 flat angles C4'-P-C4' energy: -71.817 flat angles P-C4'-P energy: -36.753 tors. eta vs tors. theta energy: -66.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -896.692800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.692800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.692800 (E_RNA) where: Base-Base interactions energy: -603.438 where: short stacking energy: -253.814 Base-Backbone interact. energy: -0.566 local terms energy: -292.689073 where: bonds (distance) C4'-P energy: -59.211 bonds (distance) P-C4' energy: -58.455 flat angles C4'-P-C4' energy: -62.246 flat angles P-C4'-P energy: -37.910 tors. eta vs tors. theta energy: -74.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -836.582490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.582490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.582490 (E_RNA) where: Base-Base interactions energy: -573.816 where: short stacking energy: -252.320 Base-Backbone interact. energy: -1.490 local terms energy: -261.277441 where: bonds (distance) C4'-P energy: -48.518 bonds (distance) P-C4' energy: -56.788 flat angles C4'-P-C4' energy: -55.051 flat angles P-C4'-P energy: -26.436 tors. eta vs tors. theta energy: -74.484 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: 5 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -736.674844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.674844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.674844 (E_RNA) where: Base-Base interactions energy: -474.267 where: short stacking energy: -220.960 Base-Backbone interact. energy: -0.112 local terms energy: -262.295838 where: bonds (distance) C4'-P energy: -57.403 bonds (distance) P-C4' energy: -61.060 flat angles C4'-P-C4' energy: -53.385 flat angles P-C4'-P energy: -36.674 tors. eta vs tors. theta energy: -53.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -655.694105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.694105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.694105 (E_RNA) where: Base-Base interactions energy: -436.449 where: short stacking energy: -190.277 Base-Backbone interact. energy: -2.511 local terms energy: -216.733840 where: bonds (distance) C4'-P energy: -45.061 bonds (distance) P-C4' energy: -49.400 flat angles C4'-P-C4' energy: -38.423 flat angles P-C4'-P energy: -40.367 tors. eta vs tors. theta energy: -43.483 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: 10, replica: 7 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -567.035348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.035348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.035348 (E_RNA) where: Base-Base interactions energy: -358.962 where: short stacking energy: -165.451 Base-Backbone interact. energy: -1.030 local terms energy: -207.043969 where: bonds (distance) C4'-P energy: -50.763 bonds (distance) P-C4' energy: -56.610 flat angles C4'-P-C4' energy: -47.725 flat angles P-C4'-P energy: -24.425 tors. eta vs tors. theta energy: -27.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1182.729585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.729585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.729585 (E_RNA) where: Base-Base interactions energy: -811.462 where: short stacking energy: -338.228 Base-Backbone interact. energy: -1.705 local terms energy: -369.562244 where: bonds (distance) C4'-P energy: -69.686 bonds (distance) P-C4' energy: -64.999 flat angles C4'-P-C4' energy: -73.853 flat angles P-C4'-P energy: -59.277 tors. eta vs tors. theta energy: -101.748 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: 10 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1147.010651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.010651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.010651 (E_RNA) where: Base-Base interactions energy: -814.475 where: short stacking energy: -335.596 Base-Backbone interact. energy: -2.057 local terms energy: -330.479322 where: bonds (distance) C4'-P energy: -53.058 bonds (distance) P-C4' energy: -58.182 flat angles C4'-P-C4' energy: -70.488 flat angles P-C4'-P energy: -48.390 tors. eta vs tors. theta energy: -100.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1076.935977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.935977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.935977 (E_RNA) where: Base-Base interactions energy: -720.906 where: short stacking energy: -327.800 Base-Backbone interact. energy: -1.738 local terms energy: -354.292127 where: bonds (distance) C4'-P energy: -66.937 bonds (distance) P-C4' energy: -65.410 flat angles C4'-P-C4' energy: -69.392 flat angles P-C4'-P energy: -48.276 tors. eta vs tors. theta energy: -104.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -972.064972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.064972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.064972 (E_RNA) where: Base-Base interactions energy: -670.383 where: short stacking energy: -278.388 Base-Backbone interact. energy: -0.058 local terms energy: -301.623578 where: bonds (distance) C4'-P energy: -62.076 bonds (distance) P-C4' energy: -54.427 flat angles C4'-P-C4' energy: -56.386 flat angles P-C4'-P energy: -47.495 tors. eta vs tors. theta energy: -81.239 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: 1 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -916.014768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.014768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.014768 (E_RNA) where: Base-Base interactions energy: -627.807 where: short stacking energy: -248.553 Base-Backbone interact. energy: -0.609 local terms energy: -287.599398 where: bonds (distance) C4'-P energy: -58.699 bonds (distance) P-C4' energy: -63.655 flat angles C4'-P-C4' energy: -57.278 flat angles P-C4'-P energy: -37.501 tors. eta vs tors. theta energy: -70.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -900.881125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.881125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.881125 (E_RNA) where: Base-Base interactions energy: -618.320 where: short stacking energy: -252.120 Base-Backbone interact. energy: -2.190 local terms energy: -280.370463 where: bonds (distance) C4'-P energy: -64.245 bonds (distance) P-C4' energy: -64.471 flat angles C4'-P-C4' energy: -48.531 flat angles P-C4'-P energy: -35.506 tors. eta vs tors. theta energy: -67.618 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: 4 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -860.988767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.988767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.988767 (E_RNA) where: Base-Base interactions energy: -582.592 where: short stacking energy: -242.603 Base-Backbone interact. energy: -1.086 local terms energy: -277.310601 where: bonds (distance) C4'-P energy: -62.211 bonds (distance) P-C4' energy: -51.422 flat angles C4'-P-C4' energy: -59.320 flat angles P-C4'-P energy: -37.999 tors. eta vs tors. theta energy: -66.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -734.177166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.177166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.177166 (E_RNA) where: Base-Base interactions energy: -486.599 where: short stacking energy: -208.824 Base-Backbone interact. energy: -0.229 local terms energy: -247.348724 where: bonds (distance) C4'-P energy: -55.293 bonds (distance) P-C4' energy: -62.461 flat angles C4'-P-C4' energy: -48.704 flat angles P-C4'-P energy: -28.834 tors. eta vs tors. theta energy: -52.056 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: 2 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -619.878739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.878739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.878739 (E_RNA) where: Base-Base interactions energy: -408.665 where: short stacking energy: -174.970 Base-Backbone interact. energy: 1.420 local terms energy: -212.634315 where: bonds (distance) C4'-P energy: -50.942 bonds (distance) P-C4' energy: -46.792 flat angles C4'-P-C4' energy: -47.206 flat angles P-C4'-P energy: -36.923 tors. eta vs tors. theta energy: -30.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -551.356324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.356324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.356324 (E_RNA) where: Base-Base interactions energy: -330.724 where: short stacking energy: -145.448 Base-Backbone interact. energy: -2.121 local terms energy: -218.511414 where: bonds (distance) C4'-P energy: -57.231 bonds (distance) P-C4' energy: -61.381 flat angles C4'-P-C4' energy: -47.147 flat angles P-C4'-P energy: -38.658 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: 1, replica: 8 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1170.884940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.884940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.884940 (E_RNA) where: Base-Base interactions energy: -812.798 where: short stacking energy: -343.209 Base-Backbone interact. energy: -1.551 local terms energy: -356.536216 where: bonds (distance) C4'-P energy: -66.352 bonds (distance) P-C4' energy: -62.495 flat angles C4'-P-C4' energy: -80.269 flat angles P-C4'-P energy: -53.270 tors. eta vs tors. theta energy: -94.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1140.021994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.021994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.021994 (E_RNA) where: Base-Base interactions energy: -790.259 where: short stacking energy: -326.337 Base-Backbone interact. energy: -1.989 local terms energy: -347.774661 where: bonds (distance) C4'-P energy: -64.354 bonds (distance) P-C4' energy: -64.664 flat angles C4'-P-C4' energy: -74.967 flat angles P-C4'-P energy: -45.775 tors. eta vs tors. theta energy: -98.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1090.650659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.650659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.650659 (E_RNA) where: Base-Base interactions energy: -740.574 where: short stacking energy: -330.366 Base-Backbone interact. energy: 0.005 local terms energy: -350.081888 where: bonds (distance) C4'-P energy: -61.439 bonds (distance) P-C4' energy: -66.221 flat angles C4'-P-C4' energy: -70.533 flat angles P-C4'-P energy: -51.160 tors. eta vs tors. theta energy: -100.729 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: 329 Temperature: 1.050000 Total energy: -970.589612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.589612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.589612 (E_RNA) where: Base-Base interactions energy: -672.321 where: short stacking energy: -294.197 Base-Backbone interact. energy: 0.276 local terms energy: -298.543981 where: bonds (distance) C4'-P energy: -52.817 bonds (distance) P-C4' energy: -61.273 flat angles C4'-P-C4' energy: -60.718 flat angles P-C4'-P energy: -38.540 tors. eta vs tors. theta energy: -85.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1004.433832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.433832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.433832 (E_RNA) where: Base-Base interactions energy: -686.954 where: short stacking energy: -290.380 Base-Backbone interact. energy: 0.073 local terms energy: -317.552553 where: bonds (distance) C4'-P energy: -64.476 bonds (distance) P-C4' energy: -58.496 flat angles C4'-P-C4' energy: -69.677 flat angles P-C4'-P energy: -40.949 tors. eta vs tors. theta energy: -83.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -944.603054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.603054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.603054 (E_RNA) where: Base-Base interactions energy: -636.562 where: short stacking energy: -257.351 Base-Backbone interact. energy: -3.189 local terms energy: -304.852082 where: bonds (distance) C4'-P energy: -58.825 bonds (distance) P-C4' energy: -68.375 flat angles C4'-P-C4' energy: -59.700 flat angles P-C4'-P energy: -41.311 tors. eta vs tors. theta energy: -76.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -796.025847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.025847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.025847 (E_RNA) where: Base-Base interactions energy: -520.864 where: short stacking energy: -220.867 Base-Backbone interact. energy: 0.196 local terms energy: -275.357926 where: bonds (distance) C4'-P energy: -60.200 bonds (distance) P-C4' energy: -58.324 flat angles C4'-P-C4' energy: -60.646 flat angles P-C4'-P energy: -41.412 tors. eta vs tors. theta energy: -54.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -687.117379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.117379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.117379 (E_RNA) where: Base-Base interactions energy: -448.008 where: short stacking energy: -196.390 Base-Backbone interact. energy: -0.507 local terms energy: -238.602682 where: bonds (distance) C4'-P energy: -59.075 bonds (distance) P-C4' energy: -65.542 flat angles C4'-P-C4' energy: -50.791 flat angles P-C4'-P energy: -26.435 tors. eta vs tors. theta energy: -36.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -541.568550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.568550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.568550 (E_RNA) where: Base-Base interactions energy: -304.306 where: short stacking energy: -156.415 Base-Backbone interact. energy: 0.543 local terms energy: -237.805683 where: bonds (distance) C4'-P energy: -52.504 bonds (distance) P-C4' energy: -60.094 flat angles C4'-P-C4' energy: -60.639 flat angles P-C4'-P energy: -34.969 tors. eta vs tors. theta energy: -29.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -479.671634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.671634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.671634 (E_RNA) where: Base-Base interactions energy: -287.945 where: short stacking energy: -133.400 Base-Backbone interact. energy: -0.499 local terms energy: -191.228276 where: bonds (distance) C4'-P energy: -48.135 bonds (distance) P-C4' energy: -54.285 flat angles C4'-P-C4' energy: -49.392 flat angles P-C4'-P energy: -25.998 tors. eta vs tors. theta energy: -13.418 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: 8 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1195.789755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.789755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.789755 (E_RNA) where: Base-Base interactions energy: -833.884 where: short stacking energy: -334.051 Base-Backbone interact. energy: -0.601 local terms energy: -361.304288 where: bonds (distance) C4'-P energy: -60.488 bonds (distance) P-C4' energy: -68.279 flat angles C4'-P-C4' energy: -76.557 flat angles P-C4'-P energy: -54.932 tors. eta vs tors. theta energy: -101.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1131.819657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.819657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.819657 (E_RNA) where: Base-Base interactions energy: -775.871 where: short stacking energy: -318.485 Base-Backbone interact. energy: -2.909 local terms energy: -353.039975 where: bonds (distance) C4'-P energy: -52.595 bonds (distance) P-C4' energy: -70.316 flat angles C4'-P-C4' energy: -76.808 flat angles P-C4'-P energy: -49.389 tors. eta vs tors. theta energy: -103.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1074.578108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.578108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.578108 (E_RNA) where: Base-Base interactions energy: -736.016 where: short stacking energy: -335.592 Base-Backbone interact. energy: -0.910 local terms energy: -337.652354 where: bonds (distance) C4'-P energy: -63.599 bonds (distance) P-C4' energy: -65.569 flat angles C4'-P-C4' energy: -67.407 flat angles P-C4'-P energy: -44.297 tors. eta vs tors. theta energy: -96.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -955.160156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.160156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.160156 (E_RNA) where: Base-Base interactions energy: -647.403 where: short stacking energy: -255.664 Base-Backbone interact. energy: -0.108 local terms energy: -307.649265 where: bonds (distance) C4'-P energy: -59.524 bonds (distance) P-C4' energy: -61.409 flat angles C4'-P-C4' energy: -64.086 flat angles P-C4'-P energy: -44.852 tors. eta vs tors. theta energy: -77.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -958.706636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.706636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.706636 (E_RNA) where: Base-Base interactions energy: -665.373 where: short stacking energy: -288.762 Base-Backbone interact. energy: -1.246 local terms energy: -292.087341 where: bonds (distance) C4'-P energy: -50.887 bonds (distance) P-C4' energy: -60.739 flat angles C4'-P-C4' energy: -61.054 flat angles P-C4'-P energy: -42.340 tors. eta vs tors. theta energy: -77.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -914.649287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.649287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.649287 (E_RNA) where: Base-Base interactions energy: -642.525 where: short stacking energy: -256.920 Base-Backbone interact. energy: -1.167 local terms energy: -270.956929 where: bonds (distance) C4'-P energy: -55.819 bonds (distance) P-C4' energy: -48.527 flat angles C4'-P-C4' energy: -54.818 flat angles P-C4'-P energy: -38.962 tors. eta vs tors. theta energy: -72.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -781.047245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.047245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.047245 (E_RNA) where: Base-Base interactions energy: -512.533 where: short stacking energy: -214.756 Base-Backbone interact. energy: -1.766 local terms energy: -266.747939 where: bonds (distance) C4'-P energy: -64.637 bonds (distance) P-C4' energy: -59.131 flat angles C4'-P-C4' energy: -63.386 flat angles P-C4'-P energy: -22.384 tors. eta vs tors. theta energy: -57.209 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: 5 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -698.197211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.197211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.197211 (E_RNA) where: Base-Base interactions energy: -467.532 where: short stacking energy: -200.260 Base-Backbone interact. energy: -1.525 local terms energy: -229.140149 where: bonds (distance) C4'-P energy: -51.210 bonds (distance) P-C4' energy: -57.411 flat angles C4'-P-C4' energy: -54.342 flat angles P-C4'-P energy: -27.790 tors. eta vs tors. theta energy: -38.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -573.307382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.307382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.307382 (E_RNA) where: Base-Base interactions energy: -335.975 where: short stacking energy: -177.893 Base-Backbone interact. energy: -1.992 local terms energy: -235.340518 where: bonds (distance) C4'-P energy: -57.917 bonds (distance) P-C4' energy: -61.931 flat angles C4'-P-C4' energy: -43.322 flat angles P-C4'-P energy: -32.869 tors. eta vs tors. theta energy: -39.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -463.761682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.761682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.761682 (E_RNA) where: Base-Base interactions energy: -268.890 where: short stacking energy: -122.548 Base-Backbone interact. energy: -3.269 local terms energy: -191.603121 where: bonds (distance) C4'-P energy: -57.425 bonds (distance) P-C4' energy: -62.276 flat angles C4'-P-C4' energy: -38.260 flat angles P-C4'-P energy: -23.521 tors. eta vs tors. theta energy: -10.120 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: 8 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1178.716366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.716366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.716366 (E_RNA) where: Base-Base interactions energy: -816.983 where: short stacking energy: -349.773 Base-Backbone interact. energy: -1.160 local terms energy: -360.573070 where: bonds (distance) C4'-P energy: -69.104 bonds (distance) P-C4' energy: -66.422 flat angles C4'-P-C4' energy: -73.165 flat angles P-C4'-P energy: -52.964 tors. eta vs tors. theta energy: -98.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1146.434389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.434389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.434389 (E_RNA) where: Base-Base interactions energy: -779.011 where: short stacking energy: -319.377 Base-Backbone interact. energy: -0.342 local terms energy: -367.081730 where: bonds (distance) C4'-P energy: -67.466 bonds (distance) P-C4' energy: -70.485 flat angles C4'-P-C4' energy: -80.313 flat angles P-C4'-P energy: -55.767 tors. eta vs tors. theta energy: -93.050 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: 331 Temperature: 1.000000 Total energy: -1083.305561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.305561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.305561 (E_RNA) where: Base-Base interactions energy: -759.276 where: short stacking energy: -359.007 Base-Backbone interact. energy: -1.848 local terms energy: -322.182155 where: bonds (distance) C4'-P energy: -55.846 bonds (distance) P-C4' energy: -52.821 flat angles C4'-P-C4' energy: -72.648 flat angles P-C4'-P energy: -40.205 tors. eta vs tors. theta energy: -100.662 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: 331 Temperature: 1.050000 Total energy: -1015.707606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.707606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.707606 (E_RNA) where: Base-Base interactions energy: -674.547 where: short stacking energy: -298.982 Base-Backbone interact. energy: -0.274 local terms energy: -340.885790 where: bonds (distance) C4'-P energy: -64.539 bonds (distance) P-C4' energy: -60.797 flat angles C4'-P-C4' energy: -74.765 flat angles P-C4'-P energy: -48.334 tors. eta vs tors. theta energy: -92.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -933.751697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.751697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.751697 (E_RNA) where: Base-Base interactions energy: -647.494 where: short stacking energy: -266.888 Base-Backbone interact. energy: 2.216 local terms energy: -288.473660 where: bonds (distance) C4'-P energy: -58.222 bonds (distance) P-C4' energy: -55.069 flat angles C4'-P-C4' energy: -71.177 flat angles P-C4'-P energy: -32.395 tors. eta vs tors. theta energy: -71.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -945.854356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.854356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.854356 (E_RNA) where: Base-Base interactions energy: -660.883 where: short stacking energy: -304.254 Base-Backbone interact. energy: 1.339 local terms energy: -286.310459 where: bonds (distance) C4'-P energy: -50.412 bonds (distance) P-C4' energy: -50.611 flat angles C4'-P-C4' energy: -71.780 flat angles P-C4'-P energy: -25.989 tors. eta vs tors. theta energy: -87.519 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: 4 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -824.830181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.830181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.830181 (E_RNA) where: Base-Base interactions energy: -540.203 where: short stacking energy: -226.290 Base-Backbone interact. energy: -1.183 local terms energy: -283.444822 where: bonds (distance) C4'-P energy: -68.449 bonds (distance) P-C4' energy: -63.391 flat angles C4'-P-C4' energy: -57.286 flat angles P-C4'-P energy: -42.504 tors. eta vs tors. theta energy: -51.814 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: 5 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -705.112851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.112851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.112851 (E_RNA) where: Base-Base interactions energy: -459.976 where: short stacking energy: -195.780 Base-Backbone interact. energy: 1.155 local terms energy: -246.292571 where: bonds (distance) C4'-P energy: -52.636 bonds (distance) P-C4' energy: -51.878 flat angles C4'-P-C4' energy: -65.061 flat angles P-C4'-P energy: -30.502 tors. eta vs tors. theta energy: -46.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -514.079571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.079571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.079571 (E_RNA) where: Base-Base interactions energy: -303.899 where: short stacking energy: -136.788 Base-Backbone interact. energy: -0.237 local terms energy: -209.943661 where: bonds (distance) C4'-P energy: -62.383 bonds (distance) P-C4' energy: -52.508 flat angles C4'-P-C4' energy: -50.901 flat angles P-C4'-P energy: -32.361 tors. eta vs tors. theta energy: -11.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -463.886105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.886105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.886105 (E_RNA) where: Base-Base interactions energy: -277.399 where: short stacking energy: -138.751 Base-Backbone interact. energy: -0.483 local terms energy: -186.003510 where: bonds (distance) C4'-P energy: -45.736 bonds (distance) P-C4' energy: -47.246 flat angles C4'-P-C4' energy: -50.912 flat angles P-C4'-P energy: -25.372 tors. eta vs tors. theta energy: -16.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1179.834199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.834199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.834199 (E_RNA) where: Base-Base interactions energy: -829.093 where: short stacking energy: -342.400 Base-Backbone interact. energy: -1.305 local terms energy: -349.437156 where: bonds (distance) C4'-P energy: -58.293 bonds (distance) P-C4' energy: -65.514 flat angles C4'-P-C4' energy: -72.423 flat angles P-C4'-P energy: -56.516 tors. eta vs tors. theta energy: -96.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1136.564085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.564085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.564085 (E_RNA) where: Base-Base interactions energy: -796.109 where: short stacking energy: -352.371 Base-Backbone interact. energy: -1.480 local terms energy: -338.974781 where: bonds (distance) C4'-P energy: -63.623 bonds (distance) P-C4' energy: -61.516 flat angles C4'-P-C4' energy: -65.485 flat angles P-C4'-P energy: -48.843 tors. eta vs tors. theta energy: -99.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1089.341110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.341110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.341110 (E_RNA) where: Base-Base interactions energy: -746.658 where: short stacking energy: -346.472 Base-Backbone interact. energy: -1.229 local terms energy: -341.453585 where: bonds (distance) C4'-P energy: -60.451 bonds (distance) P-C4' energy: -57.334 flat angles C4'-P-C4' energy: -70.764 flat angles P-C4'-P energy: -49.526 tors. eta vs tors. theta energy: -103.378 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: 1 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1028.437737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.437737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.437737 (E_RNA) where: Base-Base interactions energy: -724.699 where: short stacking energy: -305.952 Base-Backbone interact. energy: -0.876 local terms energy: -302.862560 where: bonds (distance) C4'-P energy: -50.793 bonds (distance) P-C4' energy: -51.205 flat angles C4'-P-C4' energy: -72.852 flat angles P-C4'-P energy: -44.178 tors. eta vs tors. theta energy: -83.835 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: 9 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -981.764432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.764432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.764432 (E_RNA) where: Base-Base interactions energy: -694.465 where: short stacking energy: -298.379 Base-Backbone interact. energy: 0.151 local terms energy: -287.450751 where: bonds (distance) C4'-P energy: -51.182 bonds (distance) P-C4' energy: -59.953 flat angles C4'-P-C4' energy: -56.220 flat angles P-C4'-P energy: -38.587 tors. eta vs tors. theta energy: -81.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -858.607335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.607335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.607335 (E_RNA) where: Base-Base interactions energy: -569.767 where: short stacking energy: -257.703 Base-Backbone interact. energy: -1.781 local terms energy: -287.060022 where: bonds (distance) C4'-P energy: -56.434 bonds (distance) P-C4' energy: -56.116 flat angles C4'-P-C4' energy: -65.174 flat angles P-C4'-P energy: -37.523 tors. eta vs tors. theta energy: -71.813 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: 4 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -824.192065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.192065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.192065 (E_RNA) where: Base-Base interactions energy: -552.542 where: short stacking energy: -227.395 Base-Backbone interact. energy: -1.278 local terms energy: -270.372399 where: bonds (distance) C4'-P energy: -41.322 bonds (distance) P-C4' energy: -76.996 flat angles C4'-P-C4' energy: -62.749 flat angles P-C4'-P energy: -35.528 tors. eta vs tors. theta energy: -53.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -702.744335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.744335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.744335 (E_RNA) where: Base-Base interactions energy: -466.396 where: short stacking energy: -200.960 Base-Backbone interact. energy: -0.521 local terms energy: -235.827344 where: bonds (distance) C4'-P energy: -45.970 bonds (distance) P-C4' energy: -61.229 flat angles C4'-P-C4' energy: -58.992 flat angles P-C4'-P energy: -25.860 tors. eta vs tors. theta energy: -43.776 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: 2 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -573.209049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.209049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.209049 (E_RNA) where: Base-Base interactions energy: -376.799 where: short stacking energy: -166.666 Base-Backbone interact. energy: 3.564 local terms energy: -199.974735 where: bonds (distance) C4'-P energy: -47.289 bonds (distance) P-C4' energy: -55.246 flat angles C4'-P-C4' energy: -51.584 flat angles P-C4'-P energy: -28.408 tors. eta vs tors. theta energy: -17.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -429.460029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.460029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.460029 (E_RNA) where: Base-Base interactions energy: -219.834 where: short stacking energy: -119.188 Base-Backbone interact. energy: -1.093 local terms energy: -208.532470 where: bonds (distance) C4'-P energy: -56.201 bonds (distance) P-C4' energy: -67.289 flat angles C4'-P-C4' energy: -53.972 flat angles P-C4'-P energy: -26.237 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: 1, replica: 8 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1180.110690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.110690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.110690 (E_RNA) where: Base-Base interactions energy: -824.770 where: short stacking energy: -336.089 Base-Backbone interact. energy: 1.230 local terms energy: -356.570817 where: bonds (distance) C4'-P energy: -68.166 bonds (distance) P-C4' energy: -74.315 flat angles C4'-P-C4' energy: -72.470 flat angles P-C4'-P energy: -45.457 tors. eta vs tors. theta energy: -96.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1108.996971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.996971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.996971 (E_RNA) where: Base-Base interactions energy: -744.649 where: short stacking energy: -332.751 Base-Backbone interact. energy: 0.299 local terms energy: -364.647071 where: bonds (distance) C4'-P energy: -66.101 bonds (distance) P-C4' energy: -64.447 flat angles C4'-P-C4' energy: -81.181 flat angles P-C4'-P energy: -47.621 tors. eta vs tors. theta energy: -105.297 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: 333 Temperature: 1.000000 Total energy: -1112.047011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.047011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.047011 (E_RNA) where: Base-Base interactions energy: -776.241 where: short stacking energy: -338.186 Base-Backbone interact. energy: -1.060 local terms energy: -334.745418 where: bonds (distance) C4'-P energy: -52.974 bonds (distance) P-C4' energy: -60.591 flat angles C4'-P-C4' energy: -69.873 flat angles P-C4'-P energy: -52.317 tors. eta vs tors. theta energy: -98.991 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: 4, replica: 1 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1021.319406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.319406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.319406 (E_RNA) where: Base-Base interactions energy: -722.422 where: short stacking energy: -306.750 Base-Backbone interact. energy: 0.033 local terms energy: -298.930400 where: bonds (distance) C4'-P energy: -53.250 bonds (distance) P-C4' energy: -54.287 flat angles C4'-P-C4' energy: -70.813 flat angles P-C4'-P energy: -33.817 tors. eta vs tors. theta energy: -86.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -932.335374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.335374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.335374 (E_RNA) where: Base-Base interactions energy: -651.941 where: short stacking energy: -273.620 Base-Backbone interact. energy: -1.189 local terms energy: -279.205622 where: bonds (distance) C4'-P energy: -55.442 bonds (distance) P-C4' energy: -61.828 flat angles C4'-P-C4' energy: -61.172 flat angles P-C4'-P energy: -32.294 tors. eta vs tors. theta energy: -68.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -900.547632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.547632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.547632 (E_RNA) where: Base-Base interactions energy: -625.950 where: short stacking energy: -273.816 Base-Backbone interact. energy: -2.879 local terms energy: -271.718810 where: bonds (distance) C4'-P energy: -46.932 bonds (distance) P-C4' energy: -52.452 flat angles C4'-P-C4' energy: -59.383 flat angles P-C4'-P energy: -38.262 tors. eta vs tors. theta energy: -74.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -797.358801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.358801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.358801 (E_RNA) where: Base-Base interactions energy: -530.408 where: short stacking energy: -225.841 Base-Backbone interact. energy: 0.205 local terms energy: -267.155811 where: bonds (distance) C4'-P energy: -48.833 bonds (distance) P-C4' energy: -70.010 flat angles C4'-P-C4' energy: -53.888 flat angles P-C4'-P energy: -30.802 tors. eta vs tors. theta energy: -63.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -744.663382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.663382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.663382 (E_RNA) where: Base-Base interactions energy: -464.035 where: short stacking energy: -230.459 Base-Backbone interact. energy: -2.287 local terms energy: -278.341020 where: bonds (distance) C4'-P energy: -63.664 bonds (distance) P-C4' energy: -50.261 flat angles C4'-P-C4' energy: -58.816 flat angles P-C4'-P energy: -32.406 tors. eta vs tors. theta energy: -73.195 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: 2 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -622.845378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.845378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.845378 (E_RNA) where: Base-Base interactions energy: -400.487 where: short stacking energy: -179.682 Base-Backbone interact. energy: -2.561 local terms energy: -219.796909 where: bonds (distance) C4'-P energy: -52.294 bonds (distance) P-C4' energy: -48.943 flat angles C4'-P-C4' energy: -55.054 flat angles P-C4'-P energy: -35.006 tors. eta vs tors. theta energy: -28.500 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: 10, replica: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -393.452159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.452159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.452159 (E_RNA) where: Base-Base interactions energy: -199.742 where: short stacking energy: -126.945 Base-Backbone interact. energy: 2.313 local terms energy: -196.022899 where: bonds (distance) C4'-P energy: -46.080 bonds (distance) P-C4' energy: -57.983 flat angles C4'-P-C4' energy: -56.308 flat angles P-C4'-P energy: -20.963 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: 1, replica: 8 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1166.581069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.581069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.581069 (E_RNA) where: Base-Base interactions energy: -800.098 where: short stacking energy: -331.869 Base-Backbone interact. energy: -1.276 local terms energy: -365.207018 where: bonds (distance) C4'-P energy: -60.186 bonds (distance) P-C4' energy: -69.476 flat angles C4'-P-C4' energy: -77.390 flat angles P-C4'-P energy: -56.936 tors. eta vs tors. theta energy: -101.219 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: 3 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1103.761864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.761864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.761864 (E_RNA) where: Base-Base interactions energy: -748.829 where: short stacking energy: -338.661 Base-Backbone interact. energy: -2.245 local terms energy: -352.687929 where: bonds (distance) C4'-P energy: -66.371 bonds (distance) P-C4' energy: -69.676 flat angles C4'-P-C4' energy: -75.551 flat angles P-C4'-P energy: -40.760 tors. eta vs tors. theta energy: -100.330 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: 334 Temperature: 1.000000 Total energy: -1109.362064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.362064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.362064 (E_RNA) where: Base-Base interactions energy: -753.243 where: short stacking energy: -325.888 Base-Backbone interact. energy: -1.069 local terms energy: -355.050074 where: bonds (distance) C4'-P energy: -68.599 bonds (distance) P-C4' energy: -60.247 flat angles C4'-P-C4' energy: -78.871 flat angles P-C4'-P energy: -48.440 tors. eta vs tors. theta energy: -98.894 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: 1 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1013.226400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.226400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.226400 (E_RNA) where: Base-Base interactions energy: -705.870 where: short stacking energy: -294.094 Base-Backbone interact. energy: -1.656 local terms energy: -305.700131 where: bonds (distance) C4'-P energy: -61.125 bonds (distance) P-C4' energy: -58.662 flat angles C4'-P-C4' energy: -61.790 flat angles P-C4'-P energy: -37.233 tors. eta vs tors. theta energy: -86.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -939.447913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.447913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.447913 (E_RNA) where: Base-Base interactions energy: -642.688 where: short stacking energy: -287.382 Base-Backbone interact. energy: 0.149 local terms energy: -296.908929 where: bonds (distance) C4'-P energy: -50.315 bonds (distance) P-C4' energy: -66.600 flat angles C4'-P-C4' energy: -70.626 flat angles P-C4'-P energy: -36.804 tors. eta vs tors. theta energy: -72.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -906.992195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.992195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.992195 (E_RNA) where: Base-Base interactions energy: -630.540 where: short stacking energy: -272.613 Base-Backbone interact. energy: 0.242 local terms energy: -276.693963 where: bonds (distance) C4'-P energy: -51.419 bonds (distance) P-C4' energy: -63.684 flat angles C4'-P-C4' energy: -51.954 flat angles P-C4'-P energy: -37.115 tors. eta vs tors. theta energy: -72.523 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: 5 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -767.209615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.209615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.209615 (E_RNA) where: Base-Base interactions energy: -507.752 where: short stacking energy: -202.046 Base-Backbone interact. energy: -0.844 local terms energy: -258.613468 where: bonds (distance) C4'-P energy: -64.218 bonds (distance) P-C4' energy: -59.441 flat angles C4'-P-C4' energy: -52.827 flat angles P-C4'-P energy: -36.673 tors. eta vs tors. theta energy: -45.455 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: 8, replica: 4 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -781.434404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.434404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.434404 (E_RNA) where: Base-Base interactions energy: -522.417 where: short stacking energy: -238.121 Base-Backbone interact. energy: -0.714 local terms energy: -258.303613 where: bonds (distance) C4'-P energy: -58.310 bonds (distance) P-C4' energy: -57.755 flat angles C4'-P-C4' energy: -56.604 flat angles P-C4'-P energy: -26.620 tors. eta vs tors. theta energy: -59.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -608.074432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.074432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.074432 (E_RNA) where: Base-Base interactions energy: -372.187 where: short stacking energy: -172.574 Base-Backbone interact. energy: -2.748 local terms energy: -233.139441 where: bonds (distance) C4'-P energy: -43.149 bonds (distance) P-C4' energy: -64.736 flat angles C4'-P-C4' energy: -62.185 flat angles P-C4'-P energy: -23.962 tors. eta vs tors. theta energy: -39.106 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: 10, replica: 7 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -387.413679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.413679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.413679 (E_RNA) where: Base-Base interactions energy: -219.566 where: short stacking energy: -127.408 Base-Backbone interact. energy: -0.161 local terms energy: -167.686530 where: bonds (distance) C4'-P energy: -48.186 bonds (distance) P-C4' energy: -45.578 flat angles C4'-P-C4' energy: -40.587 flat angles P-C4'-P energy: -33.104 tors. eta vs tors. theta energy: -0.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1173.278476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.278476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.278476 (E_RNA) where: Base-Base interactions energy: -824.495 where: short stacking energy: -327.752 Base-Backbone interact. energy: 1.536 local terms energy: -350.319263 where: bonds (distance) C4'-P energy: -62.949 bonds (distance) P-C4' energy: -67.381 flat angles C4'-P-C4' energy: -71.641 flat angles P-C4'-P energy: -52.055 tors. eta vs tors. theta energy: -96.294 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: 3 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1115.688298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.688298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.688298 (E_RNA) where: Base-Base interactions energy: -755.228 where: short stacking energy: -353.400 Base-Backbone interact. energy: -0.698 local terms energy: -359.762717 where: bonds (distance) C4'-P energy: -60.007 bonds (distance) P-C4' energy: -69.176 flat angles C4'-P-C4' energy: -74.785 flat angles P-C4'-P energy: -49.240 tors. eta vs tors. theta energy: -106.555 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: 10 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1119.401236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.401236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.401236 (E_RNA) where: Base-Base interactions energy: -765.492 where: short stacking energy: -330.180 Base-Backbone interact. energy: 0.416 local terms energy: -354.324593 where: bonds (distance) C4'-P energy: -67.308 bonds (distance) P-C4' energy: -66.551 flat angles C4'-P-C4' energy: -72.841 flat angles P-C4'-P energy: -48.934 tors. eta vs tors. theta energy: -98.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1000.111895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.111895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.111895 (E_RNA) where: Base-Base interactions energy: -680.446 where: short stacking energy: -304.460 Base-Backbone interact. energy: 0.182 local terms energy: -319.848011 where: bonds (distance) C4'-P energy: -61.453 bonds (distance) P-C4' energy: -56.157 flat angles C4'-P-C4' energy: -70.219 flat angles P-C4'-P energy: -42.586 tors. eta vs tors. theta energy: -89.433 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: 6 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -944.311007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.311007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.311007 (E_RNA) where: Base-Base interactions energy: -641.035 where: short stacking energy: -269.410 Base-Backbone interact. energy: -0.334 local terms energy: -302.942188 where: bonds (distance) C4'-P energy: -55.800 bonds (distance) P-C4' energy: -59.176 flat angles C4'-P-C4' energy: -66.188 flat angles P-C4'-P energy: -47.022 tors. eta vs tors. theta energy: -74.757 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: 6, replica: 9 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -916.463295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.463295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.463295 (E_RNA) where: Base-Base interactions energy: -637.375 where: short stacking energy: -264.135 Base-Backbone interact. energy: -2.386 local terms energy: -276.701842 where: bonds (distance) C4'-P energy: -53.317 bonds (distance) P-C4' energy: -61.574 flat angles C4'-P-C4' energy: -64.142 flat angles P-C4'-P energy: -30.773 tors. eta vs tors. theta energy: -66.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -812.433304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.433304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.433304 (E_RNA) where: Base-Base interactions energy: -552.019 where: short stacking energy: -245.668 Base-Backbone interact. energy: -2.060 local terms energy: -258.354299 where: bonds (distance) C4'-P energy: -60.085 bonds (distance) P-C4' energy: -46.869 flat angles C4'-P-C4' energy: -58.401 flat angles P-C4'-P energy: -28.280 tors. eta vs tors. theta energy: -64.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -786.676173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.676173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.676173 (E_RNA) where: Base-Base interactions energy: -549.759 where: short stacking energy: -230.364 Base-Backbone interact. energy: 0.064 local terms energy: -236.981457 where: bonds (distance) C4'-P energy: -41.477 bonds (distance) P-C4' energy: -52.125 flat angles C4'-P-C4' energy: -52.564 flat angles P-C4'-P energy: -40.685 tors. eta vs tors. theta energy: -50.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -658.271053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.271053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.271053 (E_RNA) where: Base-Base interactions energy: -434.316 where: short stacking energy: -208.978 Base-Backbone interact. energy: -0.005 local terms energy: -223.950163 where: bonds (distance) C4'-P energy: -33.304 bonds (distance) P-C4' energy: -59.459 flat angles C4'-P-C4' energy: -60.191 flat angles P-C4'-P energy: -24.788 tors. eta vs tors. theta energy: -46.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -396.136810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.136810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.136810 (E_RNA) where: Base-Base interactions energy: -208.600 where: short stacking energy: -110.882 Base-Backbone interact. energy: -1.579 local terms energy: -185.957465 where: bonds (distance) C4'-P energy: -47.978 bonds (distance) P-C4' energy: -49.030 flat angles C4'-P-C4' energy: -53.498 flat angles P-C4'-P energy: -36.580 tors. eta vs tors. theta energy: 1.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1172.388033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.388033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.388033 (E_RNA) where: Base-Base interactions energy: -826.661 where: short stacking energy: -348.589 Base-Backbone interact. energy: 0.773 local terms energy: -346.500383 where: bonds (distance) C4'-P energy: -57.541 bonds (distance) P-C4' energy: -72.888 flat angles C4'-P-C4' energy: -71.789 flat angles P-C4'-P energy: -41.925 tors. eta vs tors. theta energy: -102.358 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: 2, replica: 3 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1092.987917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.987917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.987917 (E_RNA) where: Base-Base interactions energy: -761.873 where: short stacking energy: -340.146 Base-Backbone interact. energy: -0.858 local terms energy: -330.257264 where: bonds (distance) C4'-P energy: -53.712 bonds (distance) P-C4' energy: -59.787 flat angles C4'-P-C4' energy: -72.028 flat angles P-C4'-P energy: -48.011 tors. eta vs tors. theta energy: -96.721 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: 10 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1109.970206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.970206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.970206 (E_RNA) where: Base-Base interactions energy: -771.432 where: short stacking energy: -332.006 Base-Backbone interact. energy: -1.277 local terms energy: -337.260939 where: bonds (distance) C4'-P energy: -60.366 bonds (distance) P-C4' energy: -63.664 flat angles C4'-P-C4' energy: -69.436 flat angles P-C4'-P energy: -44.690 tors. eta vs tors. theta energy: -99.106 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: 1 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1000.084013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.084013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.084013 (E_RNA) where: Base-Base interactions energy: -668.544 where: short stacking energy: -266.672 Base-Backbone interact. energy: -1.066 local terms energy: -330.473446 where: bonds (distance) C4'-P energy: -74.083 bonds (distance) P-C4' energy: -70.175 flat angles C4'-P-C4' energy: -63.990 flat angles P-C4'-P energy: -45.031 tors. eta vs tors. theta energy: -77.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -936.788680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.788680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.788680 (E_RNA) where: Base-Base interactions energy: -639.168 where: short stacking energy: -259.225 Base-Backbone interact. energy: -1.220 local terms energy: -296.400653 where: bonds (distance) C4'-P energy: -61.589 bonds (distance) P-C4' energy: -50.659 flat angles C4'-P-C4' energy: -59.313 flat angles P-C4'-P energy: -41.335 tors. eta vs tors. theta energy: -83.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -922.970352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.970352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.970352 (E_RNA) where: Base-Base interactions energy: -642.806 where: short stacking energy: -261.055 Base-Backbone interact. energy: -1.362 local terms energy: -278.802275 where: bonds (distance) C4'-P energy: -51.041 bonds (distance) P-C4' energy: -71.784 flat angles C4'-P-C4' energy: -59.588 flat angles P-C4'-P energy: -34.688 tors. eta vs tors. theta energy: -61.701 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: 4 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -843.141045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.141045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.141045 (E_RNA) where: Base-Base interactions energy: -572.372 where: short stacking energy: -238.650 Base-Backbone interact. energy: 1.288 local terms energy: -272.056636 where: bonds (distance) C4'-P energy: -52.250 bonds (distance) P-C4' energy: -54.114 flat angles C4'-P-C4' energy: -57.606 flat angles P-C4'-P energy: -42.690 tors. eta vs tors. theta energy: -65.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -759.663422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.663422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.663422 (E_RNA) where: Base-Base interactions energy: -505.271 where: short stacking energy: -221.198 Base-Backbone interact. energy: -0.450 local terms energy: -253.943020 where: bonds (distance) C4'-P energy: -53.401 bonds (distance) P-C4' energy: -47.954 flat angles C4'-P-C4' energy: -59.908 flat angles P-C4'-P energy: -39.807 tors. eta vs tors. theta energy: -52.873 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: 2 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -650.967215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.967215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.967215 (E_RNA) where: Base-Base interactions energy: -427.769 where: short stacking energy: -200.307 Base-Backbone interact. energy: 6.840 local terms energy: -230.037702 where: bonds (distance) C4'-P energy: -55.176 bonds (distance) P-C4' energy: -48.133 flat angles C4'-P-C4' energy: -50.786 flat angles P-C4'-P energy: -41.859 tors. eta vs tors. theta energy: -34.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -398.809294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.809294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.809294 (E_RNA) where: Base-Base interactions energy: -202.679 where: short stacking energy: -124.613 Base-Backbone interact. energy: 0.127 local terms energy: -196.256813 where: bonds (distance) C4'-P energy: -43.609 bonds (distance) P-C4' energy: -54.140 flat angles C4'-P-C4' energy: -53.977 flat angles P-C4'-P energy: -39.128 tors. eta vs tors. theta energy: -5.403 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: 8 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1194.712106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.712106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.712106 (E_RNA) where: Base-Base interactions energy: -849.383 where: short stacking energy: -337.068 Base-Backbone interact. energy: -2.639 local terms energy: -342.690024 where: bonds (distance) C4'-P energy: -58.815 bonds (distance) P-C4' energy: -57.344 flat angles C4'-P-C4' energy: -73.566 flat angles P-C4'-P energy: -56.052 tors. eta vs tors. theta energy: -96.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1114.324139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.324139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.324139 (E_RNA) where: Base-Base interactions energy: -754.748 where: short stacking energy: -349.243 Base-Backbone interact. energy: -1.284 local terms energy: -358.292349 where: bonds (distance) C4'-P energy: -67.386 bonds (distance) P-C4' energy: -64.418 flat angles C4'-P-C4' energy: -71.850 flat angles P-C4'-P energy: -46.112 tors. eta vs tors. theta energy: -108.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1116.035127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.035127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.035127 (E_RNA) where: Base-Base interactions energy: -777.754 where: short stacking energy: -334.201 Base-Backbone interact. energy: -1.524 local terms energy: -336.756413 where: bonds (distance) C4'-P energy: -60.119 bonds (distance) P-C4' energy: -64.526 flat angles C4'-P-C4' energy: -73.992 flat angles P-C4'-P energy: -42.886 tors. eta vs tors. theta energy: -95.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1013.951882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.951882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.951882 (E_RNA) where: Base-Base interactions energy: -706.774 where: short stacking energy: -287.571 Base-Backbone interact. energy: 0.305 local terms energy: -307.482487 where: bonds (distance) C4'-P energy: -58.147 bonds (distance) P-C4' energy: -52.469 flat angles C4'-P-C4' energy: -75.285 flat angles P-C4'-P energy: -44.452 tors. eta vs tors. theta energy: -77.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -950.089649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.089649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.089649 (E_RNA) where: Base-Base interactions energy: -647.915 where: short stacking energy: -266.510 Base-Backbone interact. energy: 0.933 local terms energy: -303.107054 where: bonds (distance) C4'-P energy: -66.239 bonds (distance) P-C4' energy: -55.341 flat angles C4'-P-C4' energy: -62.809 flat angles P-C4'-P energy: -48.584 tors. eta vs tors. theta energy: -70.135 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: 9 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -916.337844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.337844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.337844 (E_RNA) where: Base-Base interactions energy: -635.085 where: short stacking energy: -250.017 Base-Backbone interact. energy: -1.096 local terms energy: -280.156617 where: bonds (distance) C4'-P energy: -48.890 bonds (distance) P-C4' energy: -55.659 flat angles C4'-P-C4' energy: -64.199 flat angles P-C4'-P energy: -48.456 tors. eta vs tors. theta energy: -62.953 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: 337 Temperature: 1.200000 Total energy: -826.817374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.817374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.817374 (E_RNA) where: Base-Base interactions energy: -555.215 where: short stacking energy: -226.162 Base-Backbone interact. energy: -0.943 local terms energy: -270.658838 where: bonds (distance) C4'-P energy: -52.179 bonds (distance) P-C4' energy: -59.310 flat angles C4'-P-C4' energy: -58.730 flat angles P-C4'-P energy: -41.690 tors. eta vs tors. theta energy: -58.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -701.544526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.544526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.544526 (E_RNA) where: Base-Base interactions energy: -447.378 where: short stacking energy: -202.303 Base-Backbone interact. energy: -2.228 local terms energy: -251.939258 where: bonds (distance) C4'-P energy: -57.034 bonds (distance) P-C4' energy: -62.759 flat angles C4'-P-C4' energy: -45.350 flat angles P-C4'-P energy: -37.639 tors. eta vs tors. theta energy: -49.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -652.934661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.934661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.934661 (E_RNA) where: Base-Base interactions energy: -413.474 where: short stacking energy: -171.960 Base-Backbone interact. energy: -0.533 local terms energy: -238.927272 where: bonds (distance) C4'-P energy: -58.850 bonds (distance) P-C4' energy: -54.674 flat angles C4'-P-C4' energy: -50.145 flat angles P-C4'-P energy: -40.353 tors. eta vs tors. theta energy: -34.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -386.130326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.130326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.130326 (E_RNA) where: Base-Base interactions energy: -204.416 where: short stacking energy: -140.119 Base-Backbone interact. energy: -1.379 local terms energy: -180.335932 where: bonds (distance) C4'-P energy: -31.827 bonds (distance) P-C4' energy: -52.711 flat angles C4'-P-C4' energy: -56.748 flat angles P-C4'-P energy: -28.487 tors. eta vs tors. theta energy: -10.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1188.548974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.548974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.548974 (E_RNA) where: Base-Base interactions energy: -846.127 where: short stacking energy: -331.553 Base-Backbone interact. energy: -0.129 local terms energy: -342.292113 where: bonds (distance) C4'-P energy: -64.255 bonds (distance) P-C4' energy: -65.149 flat angles C4'-P-C4' energy: -71.865 flat angles P-C4'-P energy: -44.732 tors. eta vs tors. theta energy: -96.290 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: 338 Temperature: 0.950000 Total energy: -1124.556627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.556627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.556627 (E_RNA) where: Base-Base interactions energy: -764.575 where: short stacking energy: -340.233 Base-Backbone interact. energy: -1.555 local terms energy: -358.427321 where: bonds (distance) C4'-P energy: -64.091 bonds (distance) P-C4' energy: -67.651 flat angles C4'-P-C4' energy: -70.785 flat angles P-C4'-P energy: -49.636 tors. eta vs tors. theta energy: -106.265 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: 10 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1118.107880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.107880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.107880 (E_RNA) where: Base-Base interactions energy: -783.237 where: short stacking energy: -316.095 Base-Backbone interact. energy: -0.269 local terms energy: -334.602078 where: bonds (distance) C4'-P energy: -46.229 bonds (distance) P-C4' energy: -70.817 flat angles C4'-P-C4' energy: -72.894 flat angles P-C4'-P energy: -51.602 tors. eta vs tors. theta energy: -93.061 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: 1 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1017.181049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.181049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.181049 (E_RNA) where: Base-Base interactions energy: -702.607 where: short stacking energy: -297.793 Base-Backbone interact. energy: -1.609 local terms energy: -312.965710 where: bonds (distance) C4'-P energy: -63.215 bonds (distance) P-C4' energy: -53.846 flat angles C4'-P-C4' energy: -71.979 flat angles P-C4'-P energy: -49.833 tors. eta vs tors. theta energy: -74.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -966.766063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.766063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.766063 (E_RNA) where: Base-Base interactions energy: -676.642 where: short stacking energy: -270.711 Base-Backbone interact. energy: 3.809 local terms energy: -293.933197 where: bonds (distance) C4'-P energy: -60.362 bonds (distance) P-C4' energy: -51.553 flat angles C4'-P-C4' energy: -66.051 flat angles P-C4'-P energy: -43.186 tors. eta vs tors. theta energy: -72.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -932.068512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.068512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.068512 (E_RNA) where: Base-Base interactions energy: -651.427 where: short stacking energy: -271.675 Base-Backbone interact. energy: -0.788 local terms energy: -279.854017 where: bonds (distance) C4'-P energy: -66.704 bonds (distance) P-C4' energy: -55.644 flat angles C4'-P-C4' energy: -60.715 flat angles P-C4'-P energy: -35.456 tors. eta vs tors. theta energy: -61.335 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: 4 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -864.203678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.203678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.203678 (E_RNA) where: Base-Base interactions energy: -582.471 where: short stacking energy: -260.539 Base-Backbone interact. energy: -0.486 local terms energy: -281.247005 where: bonds (distance) C4'-P energy: -52.950 bonds (distance) P-C4' energy: -49.107 flat angles C4'-P-C4' energy: -68.249 flat angles P-C4'-P energy: -34.655 tors. eta vs tors. theta energy: -76.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -729.090822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.090822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.090822 (E_RNA) where: Base-Base interactions energy: -484.784 where: short stacking energy: -219.650 Base-Backbone interact. energy: 1.628 local terms energy: -245.934543 where: bonds (distance) C4'-P energy: -49.675 bonds (distance) P-C4' energy: -59.706 flat angles C4'-P-C4' energy: -46.810 flat angles P-C4'-P energy: -34.976 tors. eta vs tors. theta energy: -54.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -588.230323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.230323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.230323 (E_RNA) where: Base-Base interactions energy: -373.168 where: short stacking energy: -163.761 Base-Backbone interact. energy: -2.144 local terms energy: -212.918736 where: bonds (distance) C4'-P energy: -54.434 bonds (distance) P-C4' energy: -42.915 flat angles C4'-P-C4' energy: -54.947 flat angles P-C4'-P energy: -37.351 tors. eta vs tors. theta energy: -23.272 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: 7 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -343.837058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.837058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.837058 (E_RNA) where: Base-Base interactions energy: -156.722 where: short stacking energy: -101.222 Base-Backbone interact. energy: -0.836 local terms energy: -186.279432 where: bonds (distance) C4'-P energy: -52.680 bonds (distance) P-C4' energy: -46.129 flat angles C4'-P-C4' energy: -62.732 flat angles P-C4'-P energy: -26.478 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: 1, replica: 8 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1180.091479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.091479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.091479 (E_RNA) where: Base-Base interactions energy: -820.833 where: short stacking energy: -331.425 Base-Backbone interact. energy: -0.584 local terms energy: -358.675189 where: bonds (distance) C4'-P energy: -65.446 bonds (distance) P-C4' energy: -68.973 flat angles C4'-P-C4' energy: -71.525 flat angles P-C4'-P energy: -57.940 tors. eta vs tors. theta energy: -94.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1125.770832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.770832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.770832 (E_RNA) where: Base-Base interactions energy: -772.739 where: short stacking energy: -323.719 Base-Backbone interact. energy: -3.280 local terms energy: -349.751563 where: bonds (distance) C4'-P energy: -69.953 bonds (distance) P-C4' energy: -68.663 flat angles C4'-P-C4' energy: -71.285 flat angles P-C4'-P energy: -42.288 tors. eta vs tors. theta energy: -97.563 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: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1116.925173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.925173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.925173 (E_RNA) where: Base-Base interactions energy: -762.185 where: short stacking energy: -363.086 Base-Backbone interact. energy: -0.546 local terms energy: -354.194527 where: bonds (distance) C4'-P energy: -57.285 bonds (distance) P-C4' energy: -68.423 flat angles C4'-P-C4' energy: -69.352 flat angles P-C4'-P energy: -54.858 tors. eta vs tors. theta energy: -104.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1030.498951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.498951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.498951 (E_RNA) where: Base-Base interactions energy: -709.946 where: short stacking energy: -308.389 Base-Backbone interact. energy: -0.356 local terms energy: -320.197318 where: bonds (distance) C4'-P energy: -61.816 bonds (distance) P-C4' energy: -75.436 flat angles C4'-P-C4' energy: -63.463 flat angles P-C4'-P energy: -38.416 tors. eta vs tors. theta energy: -81.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -975.702966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.702966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.702966 (E_RNA) where: Base-Base interactions energy: -671.390 where: short stacking energy: -299.074 Base-Backbone interact. energy: -2.024 local terms energy: -302.288325 where: bonds (distance) C4'-P energy: -49.523 bonds (distance) P-C4' energy: -67.850 flat angles C4'-P-C4' energy: -65.697 flat angles P-C4'-P energy: -37.295 tors. eta vs tors. theta energy: -81.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -936.177824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.177824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.177824 (E_RNA) where: Base-Base interactions energy: -633.229 where: short stacking energy: -278.879 Base-Backbone interact. energy: -0.680 local terms energy: -302.268848 where: bonds (distance) C4'-P energy: -52.318 bonds (distance) P-C4' energy: -62.892 flat angles C4'-P-C4' energy: -65.193 flat angles P-C4'-P energy: -52.202 tors. eta vs tors. theta energy: -69.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -889.605450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.605450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.605450 (E_RNA) where: Base-Base interactions energy: -607.090 where: short stacking energy: -263.211 Base-Backbone interact. energy: 1.065 local terms energy: -283.580795 where: bonds (distance) C4'-P energy: -66.615 bonds (distance) P-C4' energy: -47.754 flat angles C4'-P-C4' energy: -55.002 flat angles P-C4'-P energy: -46.992 tors. eta vs tors. theta energy: -67.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -762.644683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.644683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.644683 (E_RNA) where: Base-Base interactions energy: -530.321 where: short stacking energy: -224.484 Base-Backbone interact. energy: 2.987 local terms energy: -235.311207 where: bonds (distance) C4'-P energy: -52.441 bonds (distance) P-C4' energy: -56.432 flat angles C4'-P-C4' energy: -53.046 flat angles P-C4'-P energy: -25.219 tors. eta vs tors. theta energy: -48.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -486.581623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.581623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.581623 (E_RNA) where: Base-Base interactions energy: -284.439 where: short stacking energy: -128.476 Base-Backbone interact. energy: 0.352 local terms energy: -202.494666 where: bonds (distance) C4'-P energy: -51.782 bonds (distance) P-C4' energy: -57.556 flat angles C4'-P-C4' energy: -44.697 flat angles P-C4'-P energy: -32.011 tors. eta vs tors. theta energy: -16.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -334.792308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.792308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.792308 (E_RNA) where: Base-Base interactions energy: -161.193 where: short stacking energy: -106.357 Base-Backbone interact. energy: 0.386 local terms energy: -173.984590 where: bonds (distance) C4'-P energy: -52.490 bonds (distance) P-C4' energy: -54.489 flat angles C4'-P-C4' energy: -35.179 flat angles P-C4'-P energy: -26.650 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: 1, replica: 8 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1179.822621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.822621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.822621 (E_RNA) where: Base-Base interactions energy: -824.523 where: short stacking energy: -345.611 Base-Backbone interact. energy: -5.803 local terms energy: -349.496672 where: bonds (distance) C4'-P energy: -68.760 bonds (distance) P-C4' energy: -64.259 flat angles C4'-P-C4' energy: -72.647 flat angles P-C4'-P energy: -49.954 tors. eta vs tors. theta energy: -93.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1134.614509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.614509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.614509 (E_RNA) where: Base-Base interactions energy: -786.182 where: short stacking energy: -329.315 Base-Backbone interact. energy: -2.424 local terms energy: -346.009125 where: bonds (distance) C4'-P energy: -61.828 bonds (distance) P-C4' energy: -65.907 flat angles C4'-P-C4' energy: -75.571 flat angles P-C4'-P energy: -50.109 tors. eta vs tors. theta energy: -92.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1067.023053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.023053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.023053 (E_RNA) where: Base-Base interactions energy: -741.260 where: short stacking energy: -328.589 Base-Backbone interact. energy: 0.990 local terms energy: -326.752277 where: bonds (distance) C4'-P energy: -59.041 bonds (distance) P-C4' energy: -60.963 flat angles C4'-P-C4' energy: -65.592 flat angles P-C4'-P energy: -44.305 tors. eta vs tors. theta energy: -96.851 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: 1 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1033.006018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.006018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.006018 (E_RNA) where: Base-Base interactions energy: -733.732 where: short stacking energy: -309.772 Base-Backbone interact. energy: 1.237 local terms energy: -300.511058 where: bonds (distance) C4'-P energy: -58.952 bonds (distance) P-C4' energy: -47.678 flat angles C4'-P-C4' energy: -75.833 flat angles P-C4'-P energy: -42.833 tors. eta vs tors. theta energy: -75.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -962.211552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.211552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.211552 (E_RNA) where: Base-Base interactions energy: -638.533 where: short stacking energy: -281.118 Base-Backbone interact. energy: -0.001 local terms energy: -323.677443 where: bonds (distance) C4'-P energy: -67.922 bonds (distance) P-C4' energy: -63.483 flat angles C4'-P-C4' energy: -69.421 flat angles P-C4'-P energy: -43.192 tors. eta vs tors. theta energy: -79.659 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: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -909.226226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.226226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.226226 (E_RNA) where: Base-Base interactions energy: -622.640 where: short stacking energy: -283.595 Base-Backbone interact. energy: 0.590 local terms energy: -287.176855 where: bonds (distance) C4'-P energy: -51.400 bonds (distance) P-C4' energy: -65.064 flat angles C4'-P-C4' energy: -58.982 flat angles P-C4'-P energy: -32.218 tors. eta vs tors. theta energy: -79.514 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: 4 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -908.139076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.139076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.139076 (E_RNA) where: Base-Base interactions energy: -613.437 where: short stacking energy: -264.954 Base-Backbone interact. energy: -0.483 local terms energy: -294.219070 where: bonds (distance) C4'-P energy: -63.814 bonds (distance) P-C4' energy: -64.308 flat angles C4'-P-C4' energy: -64.332 flat angles P-C4'-P energy: -38.983 tors. eta vs tors. theta energy: -62.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -757.524590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.524590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.524590 (E_RNA) where: Base-Base interactions energy: -496.344 where: short stacking energy: -212.528 Base-Backbone interact. energy: -1.679 local terms energy: -259.500977 where: bonds (distance) C4'-P energy: -60.133 bonds (distance) P-C4' energy: -55.039 flat angles C4'-P-C4' energy: -63.642 flat angles P-C4'-P energy: -31.009 tors. eta vs tors. theta energy: -49.677 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: 2 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -524.990152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.990152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.990152 (E_RNA) where: Base-Base interactions energy: -301.334 where: short stacking energy: -169.561 Base-Backbone interact. energy: 0.343 local terms energy: -223.998325 where: bonds (distance) C4'-P energy: -46.761 bonds (distance) P-C4' energy: -55.789 flat angles C4'-P-C4' energy: -44.880 flat angles P-C4'-P energy: -40.750 tors. eta vs tors. theta energy: -35.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -401.397691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.397691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.397691 (E_RNA) where: Base-Base interactions energy: -225.400 where: short stacking energy: -121.087 Base-Backbone interact. energy: -1.975 local terms energy: -174.022138 where: bonds (distance) C4'-P energy: -55.030 bonds (distance) P-C4' energy: -53.859 flat angles C4'-P-C4' energy: -42.681 flat angles P-C4'-P energy: -18.316 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: 1, replica: 8 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1195.889413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.889413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.889413 (E_RNA) where: Base-Base interactions energy: -836.721 where: short stacking energy: -340.614 Base-Backbone interact. energy: -2.009 local terms energy: -357.159640 where: bonds (distance) C4'-P energy: -65.458 bonds (distance) P-C4' energy: -66.492 flat angles C4'-P-C4' energy: -72.631 flat angles P-C4'-P energy: -53.258 tors. eta vs tors. theta energy: -99.321 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: 341 Temperature: 0.950000 Total energy: -1127.022936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.022936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.022936 (E_RNA) where: Base-Base interactions energy: -773.364 where: short stacking energy: -320.494 Base-Backbone interact. energy: -1.012 local terms energy: -352.646967 where: bonds (distance) C4'-P energy: -64.354 bonds (distance) P-C4' energy: -72.432 flat angles C4'-P-C4' energy: -71.925 flat angles P-C4'-P energy: -46.728 tors. eta vs tors. theta energy: -97.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1080.039592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.039592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.039592 (E_RNA) where: Base-Base interactions energy: -738.862 where: short stacking energy: -338.419 Base-Backbone interact. energy: -1.119 local terms energy: -340.058293 where: bonds (distance) C4'-P energy: -53.628 bonds (distance) P-C4' energy: -60.516 flat angles C4'-P-C4' energy: -69.927 flat angles P-C4'-P energy: -54.755 tors. eta vs tors. theta energy: -101.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1013.844093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.844093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.844093 (E_RNA) where: Base-Base interactions energy: -702.539 where: short stacking energy: -288.768 Base-Backbone interact. energy: -1.420 local terms energy: -309.884320 where: bonds (distance) C4'-P energy: -58.120 bonds (distance) P-C4' energy: -63.098 flat angles C4'-P-C4' energy: -71.303 flat angles P-C4'-P energy: -40.147 tors. eta vs tors. theta energy: -77.217 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: 9 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -939.812063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.812063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.812063 (E_RNA) where: Base-Base interactions energy: -646.836 where: short stacking energy: -274.748 Base-Backbone interact. energy: 3.576 local terms energy: -296.551591 where: bonds (distance) C4'-P energy: -53.364 bonds (distance) P-C4' energy: -57.549 flat angles C4'-P-C4' energy: -65.529 flat angles P-C4'-P energy: -41.079 tors. eta vs tors. theta energy: -79.032 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: 6, replica: 4 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -906.257924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.257924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.257924 (E_RNA) where: Base-Base interactions energy: -625.996 where: short stacking energy: -269.284 Base-Backbone interact. energy: 2.808 local terms energy: -283.070538 where: bonds (distance) C4'-P energy: -57.868 bonds (distance) P-C4' energy: -56.052 flat angles C4'-P-C4' energy: -64.870 flat angles P-C4'-P energy: -30.288 tors. eta vs tors. theta energy: -73.992 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: 341 Temperature: 1.200000 Total energy: -869.624684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.624684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.624684 (E_RNA) where: Base-Base interactions energy: -593.461 where: short stacking energy: -251.348 Base-Backbone interact. energy: -1.226 local terms energy: -274.938239 where: bonds (distance) C4'-P energy: -43.058 bonds (distance) P-C4' energy: -58.198 flat angles C4'-P-C4' energy: -67.032 flat angles P-C4'-P energy: -37.945 tors. eta vs tors. theta energy: -68.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -750.186592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.186592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.186592 (E_RNA) where: Base-Base interactions energy: -473.849 where: short stacking energy: -231.460 Base-Backbone interact. energy: 0.636 local terms energy: -276.973631 where: bonds (distance) C4'-P energy: -65.447 bonds (distance) P-C4' energy: -60.546 flat angles C4'-P-C4' energy: -46.723 flat angles P-C4'-P energy: -43.337 tors. eta vs tors. theta energy: -60.920 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: 2 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -488.000735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.000735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.000735 (E_RNA) where: Base-Base interactions energy: -282.631 where: short stacking energy: -148.071 Base-Backbone interact. energy: -1.604 local terms energy: -203.765649 where: bonds (distance) C4'-P energy: -54.547 bonds (distance) P-C4' energy: -50.052 flat angles C4'-P-C4' energy: -45.719 flat angles P-C4'-P energy: -30.923 tors. eta vs tors. theta energy: -22.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -411.494076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.494076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.494076 (E_RNA) where: Base-Base interactions energy: -236.811 where: short stacking energy: -128.876 Base-Backbone interact. energy: -2.231 local terms energy: -172.451976 where: bonds (distance) C4'-P energy: -41.406 bonds (distance) P-C4' energy: -43.580 flat angles C4'-P-C4' energy: -44.123 flat angles P-C4'-P energy: -25.276 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: 1, replica: 8 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1179.187364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.187364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.187364 (E_RNA) where: Base-Base interactions energy: -819.514 where: short stacking energy: -350.938 Base-Backbone interact. energy: -0.906 local terms energy: -358.767444 where: bonds (distance) C4'-P energy: -71.945 bonds (distance) P-C4' energy: -64.891 flat angles C4'-P-C4' energy: -75.274 flat angles P-C4'-P energy: -41.675 tors. eta vs tors. theta energy: -104.982 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: 2, replica: 10 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1113.200242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.200242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.200242 (E_RNA) where: Base-Base interactions energy: -777.994 where: short stacking energy: -329.247 Base-Backbone interact. energy: -0.633 local terms energy: -334.573404 where: bonds (distance) C4'-P energy: -57.101 bonds (distance) P-C4' energy: -62.560 flat angles C4'-P-C4' energy: -69.987 flat angles P-C4'-P energy: -41.094 tors. eta vs tors. theta energy: -103.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1066.450730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.450730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.450730 (E_RNA) where: Base-Base interactions energy: -734.615 where: short stacking energy: -333.035 Base-Backbone interact. energy: 0.425 local terms energy: -332.261200 where: bonds (distance) C4'-P energy: -56.889 bonds (distance) P-C4' energy: -62.164 flat angles C4'-P-C4' energy: -70.533 flat angles P-C4'-P energy: -44.190 tors. eta vs tors. theta energy: -98.484 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: 1 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1039.640585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.640585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.640585 (E_RNA) where: Base-Base interactions energy: -716.282 where: short stacking energy: -275.593 Base-Backbone interact. energy: -0.677 local terms energy: -322.682093 where: bonds (distance) C4'-P energy: -60.089 bonds (distance) P-C4' energy: -64.400 flat angles C4'-P-C4' energy: -73.444 flat angles P-C4'-P energy: -43.862 tors. eta vs tors. theta energy: -80.887 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: 9 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -927.296999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.296999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.296999 (E_RNA) where: Base-Base interactions energy: -620.935 where: short stacking energy: -286.642 Base-Backbone interact. energy: -1.151 local terms energy: -305.211631 where: bonds (distance) C4'-P energy: -62.011 bonds (distance) P-C4' energy: -48.935 flat angles C4'-P-C4' energy: -63.351 flat angles P-C4'-P energy: -43.584 tors. eta vs tors. theta energy: -87.331 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: 4 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -935.727983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.727983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.727983 (E_RNA) where: Base-Base interactions energy: -617.946 where: short stacking energy: -270.658 Base-Backbone interact. energy: -0.467 local terms energy: -317.315182 where: bonds (distance) C4'-P energy: -68.726 bonds (distance) P-C4' energy: -60.777 flat angles C4'-P-C4' energy: -59.463 flat angles P-C4'-P energy: -47.578 tors. eta vs tors. theta energy: -80.771 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: 6 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -825.760046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.760046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.760046 (E_RNA) where: Base-Base interactions energy: -577.186 where: short stacking energy: -228.498 Base-Backbone interact. energy: -1.900 local terms energy: -246.674547 where: bonds (distance) C4'-P energy: -42.223 bonds (distance) P-C4' energy: -60.102 flat angles C4'-P-C4' energy: -68.776 flat angles P-C4'-P energy: -27.544 tors. eta vs tors. theta energy: -48.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -723.574335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.574335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.574335 (E_RNA) where: Base-Base interactions energy: -484.281 where: short stacking energy: -215.994 Base-Backbone interact. energy: 0.690 local terms energy: -239.983416 where: bonds (distance) C4'-P energy: -47.263 bonds (distance) P-C4' energy: -55.061 flat angles C4'-P-C4' energy: -54.087 flat angles P-C4'-P energy: -36.727 tors. eta vs tors. theta energy: -46.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -549.151826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.151826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.151826 (E_RNA) where: Base-Base interactions energy: -310.349 where: short stacking energy: -153.159 Base-Backbone interact. energy: -1.064 local terms energy: -237.738871 where: bonds (distance) C4'-P energy: -57.253 bonds (distance) P-C4' energy: -53.330 flat angles C4'-P-C4' energy: -40.498 flat angles P-C4'-P energy: -46.737 tors. eta vs tors. theta energy: -39.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -381.998015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.998015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.998015 (E_RNA) where: Base-Base interactions energy: -184.610 where: short stacking energy: -109.846 Base-Backbone interact. energy: -0.964 local terms energy: -196.424068 where: bonds (distance) C4'-P energy: -50.694 bonds (distance) P-C4' energy: -45.132 flat angles C4'-P-C4' energy: -56.212 flat angles P-C4'-P energy: -44.337 tors. eta vs tors. theta energy: -0.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1172.837435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.837435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.837435 (E_RNA) where: Base-Base interactions energy: -818.653 where: short stacking energy: -350.805 Base-Backbone interact. energy: -1.325 local terms energy: -352.859203 where: bonds (distance) C4'-P energy: -65.801 bonds (distance) P-C4' energy: -67.147 flat angles C4'-P-C4' energy: -75.312 flat angles P-C4'-P energy: -47.273 tors. eta vs tors. theta energy: -97.325 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: 10 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1123.955552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.955552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.955552 (E_RNA) where: Base-Base interactions energy: -781.376 where: short stacking energy: -317.616 Base-Backbone interact. energy: -0.368 local terms energy: -342.211693 where: bonds (distance) C4'-P energy: -58.855 bonds (distance) P-C4' energy: -68.431 flat angles C4'-P-C4' energy: -76.473 flat angles P-C4'-P energy: -41.187 tors. eta vs tors. theta energy: -97.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1082.762531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.762531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.762531 (E_RNA) where: Base-Base interactions energy: -726.294 where: short stacking energy: -335.760 Base-Backbone interact. energy: -2.018 local terms energy: -354.450418 where: bonds (distance) C4'-P energy: -62.330 bonds (distance) P-C4' energy: -66.788 flat angles C4'-P-C4' energy: -71.263 flat angles P-C4'-P energy: -48.162 tors. eta vs tors. theta energy: -105.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1034.337106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.337106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.337106 (E_RNA) where: Base-Base interactions energy: -708.742 where: short stacking energy: -306.156 Base-Backbone interact. energy: -1.490 local terms energy: -324.105162 where: bonds (distance) C4'-P energy: -64.085 bonds (distance) P-C4' energy: -52.080 flat angles C4'-P-C4' energy: -69.217 flat angles P-C4'-P energy: -55.464 tors. eta vs tors. theta energy: -83.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -911.695421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.695421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.695421 (E_RNA) where: Base-Base interactions energy: -615.284 where: short stacking energy: -263.300 Base-Backbone interact. energy: -2.183 local terms energy: -294.228766 where: bonds (distance) C4'-P energy: -63.167 bonds (distance) P-C4' energy: -46.749 flat angles C4'-P-C4' energy: -72.446 flat angles P-C4'-P energy: -42.986 tors. eta vs tors. theta energy: -68.880 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: 6, replica: 4 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -922.172075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.172075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.172075 (E_RNA) where: Base-Base interactions energy: -637.707 where: short stacking energy: -283.316 Base-Backbone interact. energy: -0.115 local terms energy: -284.350755 where: bonds (distance) C4'-P energy: -50.454 bonds (distance) P-C4' energy: -48.788 flat angles C4'-P-C4' energy: -66.081 flat angles P-C4'-P energy: -47.959 tors. eta vs tors. theta energy: -71.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -819.256425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.256425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.256425 (E_RNA) where: Base-Base interactions energy: -563.781 where: short stacking energy: -238.430 Base-Backbone interact. energy: -0.856 local terms energy: -254.619059 where: bonds (distance) C4'-P energy: -52.808 bonds (distance) P-C4' energy: -56.839 flat angles C4'-P-C4' energy: -48.794 flat angles P-C4'-P energy: -42.748 tors. eta vs tors. theta energy: -53.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -761.017144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.017144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.017144 (E_RNA) where: Base-Base interactions energy: -508.641 where: short stacking energy: -212.585 Base-Backbone interact. energy: 0.510 local terms energy: -252.886191 where: bonds (distance) C4'-P energy: -57.019 bonds (distance) P-C4' energy: -56.264 flat angles C4'-P-C4' energy: -63.141 flat angles P-C4'-P energy: -33.089 tors. eta vs tors. theta energy: -43.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -589.888894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.888894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.888894 (E_RNA) where: Base-Base interactions energy: -341.680 where: short stacking energy: -168.483 Base-Backbone interact. energy: 6.689 local terms energy: -254.898124 where: bonds (distance) C4'-P energy: -58.891 bonds (distance) P-C4' energy: -69.635 flat angles C4'-P-C4' energy: -54.293 flat angles P-C4'-P energy: -35.615 tors. eta vs tors. theta energy: -36.464 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: 10, replica: 7 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -374.291812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.291812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.291812 (E_RNA) where: Base-Base interactions energy: -189.070 where: short stacking energy: -122.882 Base-Backbone interact. energy: 1.341 local terms energy: -186.562820 where: bonds (distance) C4'-P energy: -57.383 bonds (distance) P-C4' energy: -51.363 flat angles C4'-P-C4' energy: -53.091 flat angles P-C4'-P energy: -21.799 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: 1, replica: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1128.785855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.785855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.785855 (E_RNA) where: Base-Base interactions energy: -775.645 where: short stacking energy: -326.567 Base-Backbone interact. energy: 0.089 local terms energy: -353.230016 where: bonds (distance) C4'-P energy: -67.406 bonds (distance) P-C4' energy: -67.243 flat angles C4'-P-C4' energy: -74.804 flat angles P-C4'-P energy: -48.283 tors. eta vs tors. theta energy: -95.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1159.622509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.622509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.622509 (E_RNA) where: Base-Base interactions energy: -816.477 where: short stacking energy: -335.564 Base-Backbone interact. energy: -1.665 local terms energy: -341.480060 where: bonds (distance) C4'-P energy: -68.927 bonds (distance) P-C4' energy: -60.293 flat angles C4'-P-C4' energy: -75.669 flat angles P-C4'-P energy: -45.368 tors. eta vs tors. theta energy: -91.223 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: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1059.334665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.334665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.334665 (E_RNA) where: Base-Base interactions energy: -725.745 where: short stacking energy: -295.189 Base-Backbone interact. energy: 0.512 local terms energy: -334.101574 where: bonds (distance) C4'-P energy: -67.151 bonds (distance) P-C4' energy: -62.618 flat angles C4'-P-C4' energy: -68.117 flat angles P-C4'-P energy: -46.493 tors. eta vs tors. theta energy: -89.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1025.220263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.220263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.220263 (E_RNA) where: Base-Base interactions energy: -694.630 where: short stacking energy: -311.325 Base-Backbone interact. energy: 1.411 local terms energy: -332.001575 where: bonds (distance) C4'-P energy: -55.646 bonds (distance) P-C4' energy: -72.812 flat angles C4'-P-C4' energy: -61.862 flat angles P-C4'-P energy: -48.189 tors. eta vs tors. theta energy: -93.493 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: 5, replica: 4 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -954.318605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.318605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.318605 (E_RNA) where: Base-Base interactions energy: -643.429 where: short stacking energy: -262.279 Base-Backbone interact. energy: -0.885 local terms energy: -310.004436 where: bonds (distance) C4'-P energy: -57.093 bonds (distance) P-C4' energy: -65.499 flat angles C4'-P-C4' energy: -70.590 flat angles P-C4'-P energy: -47.160 tors. eta vs tors. theta energy: -69.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -954.590930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.590930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.590930 (E_RNA) where: Base-Base interactions energy: -647.804 where: short stacking energy: -260.543 Base-Backbone interact. energy: -2.856 local terms energy: -303.931568 where: bonds (distance) C4'-P energy: -48.415 bonds (distance) P-C4' energy: -61.534 flat angles C4'-P-C4' energy: -66.292 flat angles P-C4'-P energy: -47.816 tors. eta vs tors. theta energy: -79.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -786.307318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.307318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.307318 (E_RNA) where: Base-Base interactions energy: -512.305 where: short stacking energy: -212.594 Base-Backbone interact. energy: -1.379 local terms energy: -272.624099 where: bonds (distance) C4'-P energy: -56.693 bonds (distance) P-C4' energy: -66.028 flat angles C4'-P-C4' energy: -63.750 flat angles P-C4'-P energy: -40.620 tors. eta vs tors. theta energy: -45.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -702.956052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.956052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.956052 (E_RNA) where: Base-Base interactions energy: -466.178 where: short stacking energy: -193.732 Base-Backbone interact. energy: 1.497 local terms energy: -238.276017 where: bonds (distance) C4'-P energy: -58.716 bonds (distance) P-C4' energy: -54.969 flat angles C4'-P-C4' energy: -54.615 flat angles P-C4'-P energy: -29.651 tors. eta vs tors. theta energy: -40.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -620.637636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.637636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.637636 (E_RNA) where: Base-Base interactions energy: -397.703 where: short stacking energy: -188.977 Base-Backbone interact. energy: 2.148 local terms energy: -225.082585 where: bonds (distance) C4'-P energy: -49.542 bonds (distance) P-C4' energy: -58.304 flat angles C4'-P-C4' energy: -54.116 flat angles P-C4'-P energy: -28.754 tors. eta vs tors. theta energy: -34.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -370.314957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.314957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.314957 (E_RNA) where: Base-Base interactions energy: -180.078 where: short stacking energy: -108.936 Base-Backbone interact. energy: -0.974 local terms energy: -189.263810 where: bonds (distance) C4'-P energy: -47.136 bonds (distance) P-C4' energy: -56.097 flat angles C4'-P-C4' energy: -46.570 flat angles P-C4'-P energy: -30.979 tors. eta vs tors. theta energy: -8.481 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: 10 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1120.783993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.783993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.783993 (E_RNA) where: Base-Base interactions energy: -773.578 where: short stacking energy: -331.851 Base-Backbone interact. energy: -0.596 local terms energy: -346.609903 where: bonds (distance) C4'-P energy: -66.563 bonds (distance) P-C4' energy: -66.825 flat angles C4'-P-C4' energy: -73.217 flat angles P-C4'-P energy: -41.660 tors. eta vs tors. theta energy: -98.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1149.070148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.070148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.070148 (E_RNA) where: Base-Base interactions energy: -796.514 where: short stacking energy: -344.486 Base-Backbone interact. energy: 0.679 local terms energy: -353.234996 where: bonds (distance) C4'-P energy: -59.716 bonds (distance) P-C4' energy: -66.063 flat angles C4'-P-C4' energy: -71.410 flat angles P-C4'-P energy: -53.082 tors. eta vs tors. theta energy: -102.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1066.335893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.335893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.335893 (E_RNA) where: Base-Base interactions energy: -751.175 where: short stacking energy: -321.542 Base-Backbone interact. energy: 0.313 local terms energy: -315.474399 where: bonds (distance) C4'-P energy: -57.212 bonds (distance) P-C4' energy: -65.184 flat angles C4'-P-C4' energy: -60.403 flat angles P-C4'-P energy: -46.925 tors. eta vs tors. theta energy: -85.750 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: 4 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1005.990919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.990919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.990919 (E_RNA) where: Base-Base interactions energy: -679.209 where: short stacking energy: -284.643 Base-Backbone interact. energy: -1.445 local terms energy: -325.336907 where: bonds (distance) C4'-P energy: -51.564 bonds (distance) P-C4' energy: -66.560 flat angles C4'-P-C4' energy: -68.720 flat angles P-C4'-P energy: -55.246 tors. eta vs tors. theta energy: -83.247 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: 3 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1007.310982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.310982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.310982 (E_RNA) where: Base-Base interactions energy: -691.972 where: short stacking energy: -293.234 Base-Backbone interact. energy: -2.237 local terms energy: -313.101838 where: bonds (distance) C4'-P energy: -60.506 bonds (distance) P-C4' energy: -53.017 flat angles C4'-P-C4' energy: -68.691 flat angles P-C4'-P energy: -44.791 tors. eta vs tors. theta energy: -86.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -908.546359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.546359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.546359 (E_RNA) where: Base-Base interactions energy: -621.523 where: short stacking energy: -257.395 Base-Backbone interact. energy: 0.207 local terms energy: -287.229898 where: bonds (distance) C4'-P energy: -58.098 bonds (distance) P-C4' energy: -51.383 flat angles C4'-P-C4' energy: -66.119 flat angles P-C4'-P energy: -36.714 tors. eta vs tors. theta energy: -74.916 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: 7, replica: 6 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -749.540010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.540010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.540010 (E_RNA) where: Base-Base interactions energy: -491.391 where: short stacking energy: -214.877 Base-Backbone interact. energy: -1.006 local terms energy: -257.142976 where: bonds (distance) C4'-P energy: -56.797 bonds (distance) P-C4' energy: -61.656 flat angles C4'-P-C4' energy: -60.738 flat angles P-C4'-P energy: -35.215 tors. eta vs tors. theta energy: -42.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -730.053537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.053537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.053537 (E_RNA) where: Base-Base interactions energy: -475.166 where: short stacking energy: -209.288 Base-Backbone interact. energy: -0.431 local terms energy: -254.455853 where: bonds (distance) C4'-P energy: -57.390 bonds (distance) P-C4' energy: -60.864 flat angles C4'-P-C4' energy: -56.760 flat angles P-C4'-P energy: -25.298 tors. eta vs tors. theta energy: -54.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -629.814160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.814160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.814160 (E_RNA) where: Base-Base interactions energy: -424.066 where: short stacking energy: -202.573 Base-Backbone interact. energy: 0.040 local terms energy: -205.788015 where: bonds (distance) C4'-P energy: -62.502 bonds (distance) P-C4' energy: -43.398 flat angles C4'-P-C4' energy: -33.500 flat angles P-C4'-P energy: -27.831 tors. eta vs tors. theta energy: -38.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -402.114485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.114485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.114485 (E_RNA) where: Base-Base interactions energy: -216.306 where: short stacking energy: -142.745 Base-Backbone interact. energy: 0.371 local terms energy: -186.178793 where: bonds (distance) C4'-P energy: -50.964 bonds (distance) P-C4' energy: -54.261 flat angles C4'-P-C4' energy: -32.458 flat angles P-C4'-P energy: -35.899 tors. eta vs tors. theta energy: -12.595 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: 1, replica: 8 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1184.407311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.407311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.407311 (E_RNA) where: Base-Base interactions energy: -822.476 where: short stacking energy: -347.924 Base-Backbone interact. energy: -1.272 local terms energy: -360.658879 where: bonds (distance) C4'-P energy: -59.973 bonds (distance) P-C4' energy: -75.433 flat angles C4'-P-C4' energy: -71.311 flat angles P-C4'-P energy: -51.042 tors. eta vs tors. theta energy: -102.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1103.164779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.164779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.164779 (E_RNA) where: Base-Base interactions energy: -746.538 where: short stacking energy: -312.186 Base-Backbone interact. energy: -1.001 local terms energy: -355.625423 where: bonds (distance) C4'-P energy: -53.559 bonds (distance) P-C4' energy: -70.513 flat angles C4'-P-C4' energy: -79.991 flat angles P-C4'-P energy: -56.105 tors. eta vs tors. theta energy: -95.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1067.186431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.186431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.186431 (E_RNA) where: Base-Base interactions energy: -735.167 where: short stacking energy: -292.994 Base-Backbone interact. energy: -1.389 local terms energy: -330.630434 where: bonds (distance) C4'-P energy: -57.289 bonds (distance) P-C4' energy: -68.948 flat angles C4'-P-C4' energy: -70.513 flat angles P-C4'-P energy: -54.671 tors. eta vs tors. theta energy: -79.209 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: 4 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1006.136624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.136624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.136624 (E_RNA) where: Base-Base interactions energy: -698.629 where: short stacking energy: -308.654 Base-Backbone interact. energy: -1.042 local terms energy: -306.465074 where: bonds (distance) C4'-P energy: -44.830 bonds (distance) P-C4' energy: -61.027 flat angles C4'-P-C4' energy: -68.230 flat angles P-C4'-P energy: -46.958 tors. eta vs tors. theta energy: -85.420 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: 3 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1015.426759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.426759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.426759 (E_RNA) where: Base-Base interactions energy: -699.067 where: short stacking energy: -297.351 Base-Backbone interact. energy: 2.663 local terms energy: -319.022652 where: bonds (distance) C4'-P energy: -56.633 bonds (distance) P-C4' energy: -58.316 flat angles C4'-P-C4' energy: -73.093 flat angles P-C4'-P energy: -44.964 tors. eta vs tors. theta energy: -86.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -905.926513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.926513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.926513 (E_RNA) where: Base-Base interactions energy: -617.692 where: short stacking energy: -265.317 Base-Backbone interact. energy: -1.064 local terms energy: -287.171265 where: bonds (distance) C4'-P energy: -67.538 bonds (distance) P-C4' energy: -49.271 flat angles C4'-P-C4' energy: -58.397 flat angles P-C4'-P energy: -40.587 tors. eta vs tors. theta energy: -71.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -793.396620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.396620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.396620 (E_RNA) where: Base-Base interactions energy: -529.121 where: short stacking energy: -230.689 Base-Backbone interact. energy: -1.149 local terms energy: -263.126913 where: bonds (distance) C4'-P energy: -46.595 bonds (distance) P-C4' energy: -49.065 flat angles C4'-P-C4' energy: -62.620 flat angles P-C4'-P energy: -48.002 tors. eta vs tors. theta energy: -56.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -716.182467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.182467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.182467 (E_RNA) where: Base-Base interactions energy: -459.834 where: short stacking energy: -212.792 Base-Backbone interact. energy: 0.160 local terms energy: -256.508324 where: bonds (distance) C4'-P energy: -49.398 bonds (distance) P-C4' energy: -55.974 flat angles C4'-P-C4' energy: -65.348 flat angles P-C4'-P energy: -40.587 tors. eta vs tors. theta energy: -45.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -605.560892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.560892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.560892 (E_RNA) where: Base-Base interactions energy: -402.921 where: short stacking energy: -198.491 Base-Backbone interact. energy: -1.112 local terms energy: -201.527856 where: bonds (distance) C4'-P energy: -44.630 bonds (distance) P-C4' energy: -54.494 flat angles C4'-P-C4' energy: -46.063 flat angles P-C4'-P energy: -14.517 tors. eta vs tors. theta energy: -41.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -357.151426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.151426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.151426 (E_RNA) where: Base-Base interactions energy: -182.472 where: short stacking energy: -100.644 Base-Backbone interact. energy: -2.890 local terms energy: -171.789678 where: bonds (distance) C4'-P energy: -47.254 bonds (distance) P-C4' energy: -64.745 flat angles C4'-P-C4' energy: -40.571 flat angles P-C4'-P energy: -23.089 tors. eta vs tors. theta energy: 3.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1185.420014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.420014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.420014 (E_RNA) where: Base-Base interactions energy: -828.978 where: short stacking energy: -348.234 Base-Backbone interact. energy: -0.894 local terms energy: -355.548460 where: bonds (distance) C4'-P energy: -70.650 bonds (distance) P-C4' energy: -59.990 flat angles C4'-P-C4' energy: -79.020 flat angles P-C4'-P energy: -52.369 tors. eta vs tors. theta energy: -93.520 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: 10 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1122.892561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.892561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.892561 (E_RNA) where: Base-Base interactions energy: -778.745 where: short stacking energy: -330.356 Base-Backbone interact. energy: -0.823 local terms energy: -343.324528 where: bonds (distance) C4'-P energy: -68.741 bonds (distance) P-C4' energy: -65.338 flat angles C4'-P-C4' energy: -68.225 flat angles P-C4'-P energy: -47.413 tors. eta vs tors. theta energy: -93.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1106.817330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.817330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.817330 (E_RNA) where: Base-Base interactions energy: -789.725 where: short stacking energy: -323.986 Base-Backbone interact. energy: -1.694 local terms energy: -315.398074 where: bonds (distance) C4'-P energy: -55.809 bonds (distance) P-C4' energy: -56.225 flat angles C4'-P-C4' energy: -69.271 flat angles P-C4'-P energy: -36.322 tors. eta vs tors. theta energy: -97.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1030.850656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.850656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.850656 (E_RNA) where: Base-Base interactions energy: -692.927 where: short stacking energy: -325.709 Base-Backbone interact. energy: -1.467 local terms energy: -336.456792 where: bonds (distance) C4'-P energy: -57.980 bonds (distance) P-C4' energy: -72.201 flat angles C4'-P-C4' energy: -62.809 flat angles P-C4'-P energy: -48.170 tors. eta vs tors. theta energy: -95.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -952.044134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.044134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.044134 (E_RNA) where: Base-Base interactions energy: -653.807 where: short stacking energy: -263.940 Base-Backbone interact. energy: -2.592 local terms energy: -295.645168 where: bonds (distance) C4'-P energy: -56.903 bonds (distance) P-C4' energy: -61.122 flat angles C4'-P-C4' energy: -71.054 flat angles P-C4'-P energy: -36.427 tors. eta vs tors. theta energy: -70.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -906.143230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.143230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.143230 (E_RNA) where: Base-Base interactions energy: -608.499 where: short stacking energy: -253.741 Base-Backbone interact. energy: 2.730 local terms energy: -300.374145 where: bonds (distance) C4'-P energy: -56.850 bonds (distance) P-C4' energy: -65.734 flat angles C4'-P-C4' energy: -63.350 flat angles P-C4'-P energy: -48.928 tors. eta vs tors. theta energy: -65.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -774.166639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.166639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.166639 (E_RNA) where: Base-Base interactions energy: -527.996 where: short stacking energy: -219.753 Base-Backbone interact. energy: -1.291 local terms energy: -244.879880 where: bonds (distance) C4'-P energy: -52.686 bonds (distance) P-C4' energy: -56.902 flat angles C4'-P-C4' energy: -44.295 flat angles P-C4'-P energy: -41.350 tors. eta vs tors. theta energy: -49.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -722.313876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.313876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.313876 (E_RNA) where: Base-Base interactions energy: -473.690 where: short stacking energy: -206.154 Base-Backbone interact. energy: -1.698 local terms energy: -246.925636 where: bonds (distance) C4'-P energy: -40.335 bonds (distance) P-C4' energy: -57.342 flat angles C4'-P-C4' energy: -56.687 flat angles P-C4'-P energy: -43.474 tors. eta vs tors. theta energy: -49.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -593.455132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.455132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.455132 (E_RNA) where: Base-Base interactions energy: -372.629 where: short stacking energy: -194.465 Base-Backbone interact. energy: -1.760 local terms energy: -219.066688 where: bonds (distance) C4'-P energy: -47.113 bonds (distance) P-C4' energy: -49.550 flat angles C4'-P-C4' energy: -54.274 flat angles P-C4'-P energy: -28.317 tors. eta vs tors. theta energy: -39.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -405.601909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.601909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.601909 (E_RNA) where: Base-Base interactions energy: -201.407 where: short stacking energy: -131.474 Base-Backbone interact. energy: 1.381 local terms energy: -205.575973 where: bonds (distance) C4'-P energy: -53.783 bonds (distance) P-C4' energy: -61.831 flat angles C4'-P-C4' energy: -50.155 flat angles P-C4'-P energy: -24.989 tors. eta vs tors. theta energy: -14.818 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: 8 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1176.267686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.267686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.267686 (E_RNA) where: Base-Base interactions energy: -835.003 where: short stacking energy: -342.739 Base-Backbone interact. energy: -2.089 local terms energy: -339.175121 where: bonds (distance) C4'-P energy: -60.083 bonds (distance) P-C4' energy: -62.793 flat angles C4'-P-C4' energy: -70.970 flat angles P-C4'-P energy: -50.909 tors. eta vs tors. theta energy: -94.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1103.956691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.956691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.956691 (E_RNA) where: Base-Base interactions energy: -761.261 where: short stacking energy: -301.033 Base-Backbone interact. energy: 0.388 local terms energy: -343.083856 where: bonds (distance) C4'-P energy: -62.217 bonds (distance) P-C4' energy: -67.998 flat angles C4'-P-C4' energy: -69.592 flat angles P-C4'-P energy: -53.956 tors. eta vs tors. theta energy: -89.321 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: 1 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1088.214347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.214347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.214347 (E_RNA) where: Base-Base interactions energy: -759.349 where: short stacking energy: -320.760 Base-Backbone interact. energy: -2.174 local terms energy: -326.691630 where: bonds (distance) C4'-P energy: -61.893 bonds (distance) P-C4' energy: -59.738 flat angles C4'-P-C4' energy: -57.795 flat angles P-C4'-P energy: -51.626 tors. eta vs tors. theta energy: -95.639 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: 4, replica: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1048.922354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.922354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.922354 (E_RNA) where: Base-Base interactions energy: -714.171 where: short stacking energy: -323.808 Base-Backbone interact. energy: -0.665 local terms energy: -334.086335 where: bonds (distance) C4'-P energy: -62.531 bonds (distance) P-C4' energy: -57.853 flat angles C4'-P-C4' energy: -76.983 flat angles P-C4'-P energy: -39.346 tors. eta vs tors. theta energy: -97.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -956.236689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.236689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.236689 (E_RNA) where: Base-Base interactions energy: -637.923 where: short stacking energy: -270.081 Base-Backbone interact. energy: 1.796 local terms energy: -320.109492 where: bonds (distance) C4'-P energy: -59.271 bonds (distance) P-C4' energy: -69.157 flat angles C4'-P-C4' energy: -64.019 flat angles P-C4'-P energy: -49.851 tors. eta vs tors. theta energy: -77.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -944.704794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.704794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.704794 (E_RNA) where: Base-Base interactions energy: -645.634 where: short stacking energy: -248.488 Base-Backbone interact. energy: -2.479 local terms energy: -296.591806 where: bonds (distance) C4'-P energy: -62.022 bonds (distance) P-C4' energy: -55.279 flat angles C4'-P-C4' energy: -69.295 flat angles P-C4'-P energy: -38.582 tors. eta vs tors. theta energy: -71.414 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: 6 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -808.559995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.559995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.559995 (E_RNA) where: Base-Base interactions energy: -552.637 where: short stacking energy: -222.774 Base-Backbone interact. energy: -1.208 local terms energy: -254.714948 where: bonds (distance) C4'-P energy: -49.882 bonds (distance) P-C4' energy: -50.688 flat angles C4'-P-C4' energy: -63.611 flat angles P-C4'-P energy: -30.023 tors. eta vs tors. theta energy: -60.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -714.529875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.529875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.529875 (E_RNA) where: Base-Base interactions energy: -473.945 where: short stacking energy: -202.833 Base-Backbone interact. energy: 1.910 local terms energy: -242.495346 where: bonds (distance) C4'-P energy: -51.425 bonds (distance) P-C4' energy: -59.980 flat angles C4'-P-C4' energy: -49.949 flat angles P-C4'-P energy: -34.374 tors. eta vs tors. theta energy: -46.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -552.981479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.981479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.981479 (E_RNA) where: Base-Base interactions energy: -326.904 where: short stacking energy: -157.381 Base-Backbone interact. energy: 1.007 local terms energy: -227.083802 where: bonds (distance) C4'-P energy: -61.607 bonds (distance) P-C4' energy: -52.140 flat angles C4'-P-C4' energy: -46.690 flat angles P-C4'-P energy: -42.442 tors. eta vs tors. theta energy: -24.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -381.014928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.014928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.014928 (E_RNA) where: Base-Base interactions energy: -215.708 where: short stacking energy: -118.427 Base-Backbone interact. energy: -2.204 local terms energy: -163.102857 where: bonds (distance) C4'-P energy: -45.236 bonds (distance) P-C4' energy: -48.995 flat angles C4'-P-C4' energy: -40.827 flat angles P-C4'-P energy: -37.234 tors. eta vs tors. theta energy: 9.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1172.570106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.570106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.570106 (E_RNA) where: Base-Base interactions energy: -816.767 where: short stacking energy: -344.512 Base-Backbone interact. energy: 1.242 local terms energy: -357.045163 where: bonds (distance) C4'-P energy: -72.151 bonds (distance) P-C4' energy: -63.658 flat angles C4'-P-C4' energy: -75.032 flat angles P-C4'-P energy: -48.313 tors. eta vs tors. theta energy: -97.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1121.003428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.003428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.003428 (E_RNA) where: Base-Base interactions energy: -771.151 where: short stacking energy: -335.374 Base-Backbone interact. energy: -2.695 local terms energy: -347.157286 where: bonds (distance) C4'-P energy: -64.186 bonds (distance) P-C4' energy: -66.025 flat angles C4'-P-C4' energy: -71.893 flat angles P-C4'-P energy: -49.192 tors. eta vs tors. theta energy: -95.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1099.970178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.970178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.970178 (E_RNA) where: Base-Base interactions energy: -767.736 where: short stacking energy: -304.513 Base-Backbone interact. energy: -0.636 local terms energy: -331.598436 where: bonds (distance) C4'-P energy: -56.522 bonds (distance) P-C4' energy: -66.035 flat angles C4'-P-C4' energy: -75.959 flat angles P-C4'-P energy: -46.421 tors. eta vs tors. theta energy: -86.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -991.247122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.247122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.247122 (E_RNA) where: Base-Base interactions energy: -671.800 where: short stacking energy: -306.596 Base-Backbone interact. energy: 1.629 local terms energy: -321.075669 where: bonds (distance) C4'-P energy: -56.993 bonds (distance) P-C4' energy: -65.702 flat angles C4'-P-C4' energy: -71.807 flat angles P-C4'-P energy: -40.947 tors. eta vs tors. theta energy: -85.628 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: 9 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -963.431336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.431336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.431336 (E_RNA) where: Base-Base interactions energy: -668.241 where: short stacking energy: -289.305 Base-Backbone interact. energy: -0.272 local terms energy: -294.918646 where: bonds (distance) C4'-P energy: -51.801 bonds (distance) P-C4' energy: -50.481 flat angles C4'-P-C4' energy: -73.956 flat angles P-C4'-P energy: -44.139 tors. eta vs tors. theta energy: -74.542 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: 4 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -910.838830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.838830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.838830 (E_RNA) where: Base-Base interactions energy: -616.309 where: short stacking energy: -265.345 Base-Backbone interact. energy: -2.285 local terms energy: -292.245043 where: bonds (distance) C4'-P energy: -51.480 bonds (distance) P-C4' energy: -63.349 flat angles C4'-P-C4' energy: -68.748 flat angles P-C4'-P energy: -42.996 tors. eta vs tors. theta energy: -65.672 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: 6 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -809.684748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.684748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.684748 (E_RNA) where: Base-Base interactions energy: -540.101 where: short stacking energy: -232.230 Base-Backbone interact. energy: 2.661 local terms energy: -272.244975 where: bonds (distance) C4'-P energy: -49.342 bonds (distance) P-C4' energy: -53.842 flat angles C4'-P-C4' energy: -68.518 flat angles P-C4'-P energy: -42.215 tors. eta vs tors. theta energy: -58.328 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: 8, replica: 5 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -674.982902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.982902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.982902 (E_RNA) where: Base-Base interactions energy: -445.623 where: short stacking energy: -187.767 Base-Backbone interact. energy: 2.659 local terms energy: -232.018898 where: bonds (distance) C4'-P energy: -40.366 bonds (distance) P-C4' energy: -49.856 flat angles C4'-P-C4' energy: -60.102 flat angles P-C4'-P energy: -36.813 tors. eta vs tors. theta energy: -44.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -583.319688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.319688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.319688 (E_RNA) where: Base-Base interactions energy: -360.299 where: short stacking energy: -174.826 Base-Backbone interact. energy: 0.582 local terms energy: -223.602653 where: bonds (distance) C4'-P energy: -58.593 bonds (distance) P-C4' energy: -51.437 flat angles C4'-P-C4' energy: -49.070 flat angles P-C4'-P energy: -34.085 tors. eta vs tors. theta energy: -30.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -358.479690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.479690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.479690 (E_RNA) where: Base-Base interactions energy: -171.915 where: short stacking energy: -106.838 Base-Backbone interact. energy: -1.107 local terms energy: -185.457947 where: bonds (distance) C4'-P energy: -49.734 bonds (distance) P-C4' energy: -54.726 flat angles C4'-P-C4' energy: -45.801 flat angles P-C4'-P energy: -29.198 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: 1, replica: 8 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1182.981811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.981811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.981811 (E_RNA) where: Base-Base interactions energy: -807.869 where: short stacking energy: -334.822 Base-Backbone interact. energy: -1.952 local terms energy: -373.161080 where: bonds (distance) C4'-P energy: -71.986 bonds (distance) P-C4' energy: -67.181 flat angles C4'-P-C4' energy: -81.516 flat angles P-C4'-P energy: -54.202 tors. eta vs tors. theta energy: -98.277 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: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1122.173135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.173135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.173135 (E_RNA) where: Base-Base interactions energy: -769.341 where: short stacking energy: -334.492 Base-Backbone interact. energy: -1.015 local terms energy: -351.817780 where: bonds (distance) C4'-P energy: -68.277 bonds (distance) P-C4' energy: -61.820 flat angles C4'-P-C4' energy: -77.332 flat angles P-C4'-P energy: -53.207 tors. eta vs tors. theta energy: -91.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1084.373259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.373259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.373259 (E_RNA) where: Base-Base interactions energy: -759.510 where: short stacking energy: -300.888 Base-Backbone interact. energy: -2.125 local terms energy: -322.738978 where: bonds (distance) C4'-P energy: -55.568 bonds (distance) P-C4' energy: -59.768 flat angles C4'-P-C4' energy: -70.440 flat angles P-C4'-P energy: -46.056 tors. eta vs tors. theta energy: -90.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1018.179126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.179126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.179126 (E_RNA) where: Base-Base interactions energy: -705.820 where: short stacking energy: -299.109 Base-Backbone interact. energy: 3.541 local terms energy: -315.899884 where: bonds (distance) C4'-P energy: -59.457 bonds (distance) P-C4' energy: -60.649 flat angles C4'-P-C4' energy: -62.220 flat angles P-C4'-P energy: -48.032 tors. eta vs tors. theta energy: -85.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -966.682659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.682659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.682659 (E_RNA) where: Base-Base interactions energy: -669.201 where: short stacking energy: -271.985 Base-Backbone interact. energy: 1.877 local terms energy: -299.358287 where: bonds (distance) C4'-P energy: -52.012 bonds (distance) P-C4' energy: -61.992 flat angles C4'-P-C4' energy: -58.636 flat angles P-C4'-P energy: -52.090 tors. eta vs tors. theta energy: -74.628 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: 6, replica: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -899.810593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.810593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.810593 (E_RNA) where: Base-Base interactions energy: -614.683 where: short stacking energy: -252.438 Base-Backbone interact. energy: -0.319 local terms energy: -284.808476 where: bonds (distance) C4'-P energy: -48.037 bonds (distance) P-C4' energy: -61.108 flat angles C4'-P-C4' energy: -67.671 flat angles P-C4'-P energy: -42.237 tors. eta vs tors. theta energy: -65.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -787.853494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.853494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.853494 (E_RNA) where: Base-Base interactions energy: -527.079 where: short stacking energy: -222.250 Base-Backbone interact. energy: 4.374 local terms energy: -265.148965 where: bonds (distance) C4'-P energy: -61.536 bonds (distance) P-C4' energy: -52.400 flat angles C4'-P-C4' energy: -56.318 flat angles P-C4'-P energy: -37.735 tors. eta vs tors. theta energy: -57.160 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: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -676.334569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.334569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.334569 (E_RNA) where: Base-Base interactions energy: -430.414 where: short stacking energy: -187.398 Base-Backbone interact. energy: 1.924 local terms energy: -247.844603 where: bonds (distance) C4'-P energy: -57.665 bonds (distance) P-C4' energy: -52.132 flat angles C4'-P-C4' energy: -56.063 flat angles P-C4'-P energy: -40.291 tors. eta vs tors. theta energy: -41.693 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: 2 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -619.740016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.740016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.740016 (E_RNA) where: Base-Base interactions energy: -389.974 where: short stacking energy: -187.753 Base-Backbone interact. energy: -0.168 local terms energy: -229.598428 where: bonds (distance) C4'-P energy: -49.335 bonds (distance) P-C4' energy: -53.995 flat angles C4'-P-C4' energy: -56.288 flat angles P-C4'-P energy: -27.338 tors. eta vs tors. theta energy: -42.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -355.782763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.782763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.782763 (E_RNA) where: Base-Base interactions energy: -175.843 where: short stacking energy: -101.179 Base-Backbone interact. energy: 1.461 local terms energy: -181.400047 where: bonds (distance) C4'-P energy: -47.206 bonds (distance) P-C4' energy: -48.183 flat angles C4'-P-C4' energy: -52.827 flat angles P-C4'-P energy: -35.561 tors. eta vs tors. theta energy: 2.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1187.206366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.206366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.206366 (E_RNA) where: Base-Base interactions energy: -829.014 where: short stacking energy: -341.283 Base-Backbone interact. energy: -1.348 local terms energy: -356.844288 where: bonds (distance) C4'-P energy: -66.614 bonds (distance) P-C4' energy: -62.878 flat angles C4'-P-C4' energy: -77.211 flat angles P-C4'-P energy: -47.379 tors. eta vs tors. theta energy: -102.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1116.565258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.565258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.565258 (E_RNA) where: Base-Base interactions energy: -766.451 where: short stacking energy: -322.618 Base-Backbone interact. energy: -0.542 local terms energy: -349.572136 where: bonds (distance) C4'-P energy: -69.202 bonds (distance) P-C4' energy: -67.119 flat angles C4'-P-C4' energy: -71.095 flat angles P-C4'-P energy: -44.723 tors. eta vs tors. theta energy: -97.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1092.021043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.021043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.021043 (E_RNA) where: Base-Base interactions energy: -761.076 where: short stacking energy: -316.392 Base-Backbone interact. energy: 1.610 local terms energy: -332.555273 where: bonds (distance) C4'-P energy: -62.320 bonds (distance) P-C4' energy: -63.206 flat angles C4'-P-C4' energy: -65.894 flat angles P-C4'-P energy: -51.048 tors. eta vs tors. theta energy: -90.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1022.853820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.853820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.853820 (E_RNA) where: Base-Base interactions energy: -706.021 where: short stacking energy: -313.689 Base-Backbone interact. energy: -1.252 local terms energy: -315.580966 where: bonds (distance) C4'-P energy: -55.007 bonds (distance) P-C4' energy: -57.770 flat angles C4'-P-C4' energy: -65.890 flat angles P-C4'-P energy: -47.222 tors. eta vs tors. theta energy: -89.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -951.220406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.220406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.220406 (E_RNA) where: Base-Base interactions energy: -658.171 where: short stacking energy: -267.261 Base-Backbone interact. energy: -1.396 local terms energy: -291.653864 where: bonds (distance) C4'-P energy: -55.855 bonds (distance) P-C4' energy: -55.893 flat angles C4'-P-C4' energy: -63.741 flat angles P-C4'-P energy: -41.781 tors. eta vs tors. theta energy: -74.384 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: 4 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -913.380506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.380506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.380506 (E_RNA) where: Base-Base interactions energy: -618.337 where: short stacking energy: -275.176 Base-Backbone interact. energy: -0.683 local terms energy: -294.360531 where: bonds (distance) C4'-P energy: -56.259 bonds (distance) P-C4' energy: -58.001 flat angles C4'-P-C4' energy: -69.126 flat angles P-C4'-P energy: -44.483 tors. eta vs tors. theta energy: -66.492 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: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -809.783987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.783987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.783987 (E_RNA) where: Base-Base interactions energy: -519.208 where: short stacking energy: -233.219 Base-Backbone interact. energy: -2.491 local terms energy: -288.084889 where: bonds (distance) C4'-P energy: -62.264 bonds (distance) P-C4' energy: -60.902 flat angles C4'-P-C4' energy: -64.843 flat angles P-C4'-P energy: -44.768 tors. eta vs tors. theta energy: -55.309 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: 5 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -661.880584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.880584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.880584 (E_RNA) where: Base-Base interactions energy: -413.039 where: short stacking energy: -219.506 Base-Backbone interact. energy: -0.941 local terms energy: -247.900133 where: bonds (distance) C4'-P energy: -55.099 bonds (distance) P-C4' energy: -60.441 flat angles C4'-P-C4' energy: -53.155 flat angles P-C4'-P energy: -26.748 tors. eta vs tors. theta energy: -52.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -607.790318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.790318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.790318 (E_RNA) where: Base-Base interactions energy: -384.661 where: short stacking energy: -190.619 Base-Backbone interact. energy: 3.095 local terms energy: -226.223876 where: bonds (distance) C4'-P energy: -54.672 bonds (distance) P-C4' energy: -55.100 flat angles C4'-P-C4' energy: -54.913 flat angles P-C4'-P energy: -27.375 tors. eta vs tors. theta energy: -34.164 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: 7 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -373.061076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.061076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.061076 (E_RNA) where: Base-Base interactions energy: -178.876 where: short stacking energy: -111.395 Base-Backbone interact. energy: 0.138 local terms energy: -194.322136 where: bonds (distance) C4'-P energy: -43.384 bonds (distance) P-C4' energy: -64.992 flat angles C4'-P-C4' energy: -50.856 flat angles P-C4'-P energy: -29.598 tors. eta vs tors. theta energy: -5.491 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: 1, replica: 8 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1182.682005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.682005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.682005 (E_RNA) where: Base-Base interactions energy: -839.858 where: short stacking energy: -351.919 Base-Backbone interact. energy: -2.874 local terms energy: -339.949961 where: bonds (distance) C4'-P energy: -57.458 bonds (distance) P-C4' energy: -64.194 flat angles C4'-P-C4' energy: -70.241 flat angles P-C4'-P energy: -47.035 tors. eta vs tors. theta energy: -101.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1115.356658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.356658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.356658 (E_RNA) where: Base-Base interactions energy: -769.777 where: short stacking energy: -334.616 Base-Backbone interact. energy: -2.331 local terms energy: -343.248727 where: bonds (distance) C4'-P energy: -66.758 bonds (distance) P-C4' energy: -58.499 flat angles C4'-P-C4' energy: -74.506 flat angles P-C4'-P energy: -48.138 tors. eta vs tors. theta energy: -95.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1097.241399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.241399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.241399 (E_RNA) where: Base-Base interactions energy: -748.617 where: short stacking energy: -319.800 Base-Backbone interact. energy: -1.756 local terms energy: -346.868793 where: bonds (distance) C4'-P energy: -54.434 bonds (distance) P-C4' energy: -70.249 flat angles C4'-P-C4' energy: -73.803 flat angles P-C4'-P energy: -51.123 tors. eta vs tors. theta energy: -97.260 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: 4, replica: 3 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1023.478126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.478126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.478126 (E_RNA) where: Base-Base interactions energy: -698.432 where: short stacking energy: -315.988 Base-Backbone interact. energy: -2.440 local terms energy: -322.606082 where: bonds (distance) C4'-P energy: -58.826 bonds (distance) P-C4' energy: -59.241 flat angles C4'-P-C4' energy: -71.326 flat angles P-C4'-P energy: -45.804 tors. eta vs tors. theta energy: -87.409 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: 9 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -969.248487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.248487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.248487 (E_RNA) where: Base-Base interactions energy: -672.359 where: short stacking energy: -289.103 Base-Backbone interact. energy: 1.221 local terms energy: -298.110786 where: bonds (distance) C4'-P energy: -54.593 bonds (distance) P-C4' energy: -49.306 flat angles C4'-P-C4' energy: -71.702 flat angles P-C4'-P energy: -43.783 tors. eta vs tors. theta energy: -78.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -953.399376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.399376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.399376 (E_RNA) where: Base-Base interactions energy: -650.358 where: short stacking energy: -294.097 Base-Backbone interact. energy: -0.698 local terms energy: -302.343434 where: bonds (distance) C4'-P energy: -54.099 bonds (distance) P-C4' energy: -54.950 flat angles C4'-P-C4' energy: -66.058 flat angles P-C4'-P energy: -46.254 tors. eta vs tors. theta energy: -80.982 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: 6 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -806.432338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.432338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.432338 (E_RNA) where: Base-Base interactions energy: -539.728 where: short stacking energy: -232.928 Base-Backbone interact. energy: 2.398 local terms energy: -269.102209 where: bonds (distance) C4'-P energy: -59.219 bonds (distance) P-C4' energy: -64.910 flat angles C4'-P-C4' energy: -51.126 flat angles P-C4'-P energy: -38.920 tors. eta vs tors. theta energy: -54.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -687.975000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.975000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.975000 (E_RNA) where: Base-Base interactions energy: -441.790 where: short stacking energy: -188.695 Base-Backbone interact. energy: 0.699 local terms energy: -246.883933 where: bonds (distance) C4'-P energy: -53.980 bonds (distance) P-C4' energy: -61.811 flat angles C4'-P-C4' energy: -55.524 flat angles P-C4'-P energy: -37.955 tors. eta vs tors. theta energy: -37.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -596.660909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.660909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.660909 (E_RNA) where: Base-Base interactions energy: -361.662 where: short stacking energy: -164.511 Base-Backbone interact. energy: 0.664 local terms energy: -235.662817 where: bonds (distance) C4'-P energy: -51.434 bonds (distance) P-C4' energy: -65.796 flat angles C4'-P-C4' energy: -48.186 flat angles P-C4'-P energy: -40.115 tors. eta vs tors. theta energy: -30.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -376.957350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.957350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.957350 (E_RNA) where: Base-Base interactions energy: -193.737 where: short stacking energy: -104.215 Base-Backbone interact. energy: -2.740 local terms energy: -180.480488 where: bonds (distance) C4'-P energy: -55.813 bonds (distance) P-C4' energy: -54.842 flat angles C4'-P-C4' energy: -47.116 flat angles P-C4'-P energy: -25.930 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: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1174.968396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.968396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.968396 (E_RNA) where: Base-Base interactions energy: -820.000 where: short stacking energy: -336.448 Base-Backbone interact. energy: -0.221 local terms energy: -354.747460 where: bonds (distance) C4'-P energy: -71.910 bonds (distance) P-C4' energy: -66.695 flat angles C4'-P-C4' energy: -79.329 flat angles P-C4'-P energy: -38.352 tors. eta vs tors. theta energy: -98.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1123.236050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.236050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.236050 (E_RNA) where: Base-Base interactions energy: -772.086 where: short stacking energy: -333.896 Base-Backbone interact. energy: -0.332 local terms energy: -350.818015 where: bonds (distance) C4'-P energy: -61.526 bonds (distance) P-C4' energy: -71.957 flat angles C4'-P-C4' energy: -71.655 flat angles P-C4'-P energy: -54.587 tors. eta vs tors. theta energy: -91.093 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: 1 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1079.801824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.801824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.801824 (E_RNA) where: Base-Base interactions energy: -753.520 where: short stacking energy: -320.207 Base-Backbone interact. energy: -0.585 local terms energy: -325.696365 where: bonds (distance) C4'-P energy: -56.619 bonds (distance) P-C4' energy: -71.891 flat angles C4'-P-C4' energy: -61.465 flat angles P-C4'-P energy: -46.446 tors. eta vs tors. theta energy: -89.276 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: 9 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -986.155169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.155169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.155169 (E_RNA) where: Base-Base interactions energy: -677.007 where: short stacking energy: -294.921 Base-Backbone interact. energy: 0.878 local terms energy: -310.026380 where: bonds (distance) C4'-P energy: -62.787 bonds (distance) P-C4' energy: -62.507 flat angles C4'-P-C4' energy: -63.513 flat angles P-C4'-P energy: -36.728 tors. eta vs tors. theta energy: -84.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1008.092140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.092140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.092140 (E_RNA) where: Base-Base interactions energy: -682.282 where: short stacking energy: -316.757 Base-Backbone interact. energy: 2.637 local terms energy: -328.447145 where: bonds (distance) C4'-P energy: -53.044 bonds (distance) P-C4' energy: -63.294 flat angles C4'-P-C4' energy: -76.399 flat angles P-C4'-P energy: -46.207 tors. eta vs tors. theta energy: -89.504 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: 353 Temperature: 1.150000 Total energy: -936.252238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.252238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.252238 (E_RNA) where: Base-Base interactions energy: -641.121 where: short stacking energy: -259.118 Base-Backbone interact. energy: -1.739 local terms energy: -293.392795 where: bonds (distance) C4'-P energy: -51.001 bonds (distance) P-C4' energy: -58.001 flat angles C4'-P-C4' energy: -58.027 flat angles P-C4'-P energy: -46.673 tors. eta vs tors. theta energy: -79.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -825.406424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.406424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.406424 (E_RNA) where: Base-Base interactions energy: -591.071 where: short stacking energy: -218.198 Base-Backbone interact. energy: -0.254 local terms energy: -234.080453 where: bonds (distance) C4'-P energy: -52.408 bonds (distance) P-C4' energy: -48.605 flat angles C4'-P-C4' energy: -53.206 flat angles P-C4'-P energy: -30.432 tors. eta vs tors. theta energy: -49.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -686.799102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.799102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.799102 (E_RNA) where: Base-Base interactions energy: -441.500 where: short stacking energy: -198.940 Base-Backbone interact. energy: -1.627 local terms energy: -243.671666 where: bonds (distance) C4'-P energy: -54.761 bonds (distance) P-C4' energy: -56.754 flat angles C4'-P-C4' energy: -59.789 flat angles P-C4'-P energy: -24.988 tors. eta vs tors. theta energy: -47.379 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: 2 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -626.066657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.066657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.066657 (E_RNA) where: Base-Base interactions energy: -406.908 where: short stacking energy: -216.348 Base-Backbone interact. energy: -0.238 local terms energy: -218.920645 where: bonds (distance) C4'-P energy: -39.111 bonds (distance) P-C4' energy: -48.623 flat angles C4'-P-C4' energy: -56.658 flat angles P-C4'-P energy: -27.362 tors. eta vs tors. theta energy: -47.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -371.945089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.945089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.945089 (E_RNA) where: Base-Base interactions energy: -186.989 where: short stacking energy: -103.094 Base-Backbone interact. energy: 1.272 local terms energy: -186.228826 where: bonds (distance) C4'-P energy: -46.212 bonds (distance) P-C4' energy: -58.964 flat angles C4'-P-C4' energy: -52.681 flat angles P-C4'-P energy: -25.919 tors. eta vs tors. theta energy: -2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1194.685365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.685365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.685365 (E_RNA) where: Base-Base interactions energy: -825.547 where: short stacking energy: -347.410 Base-Backbone interact. energy: -1.753 local terms energy: -367.385390 where: bonds (distance) C4'-P energy: -70.970 bonds (distance) P-C4' energy: -69.641 flat angles C4'-P-C4' energy: -74.880 flat angles P-C4'-P energy: -52.523 tors. eta vs tors. theta energy: -99.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1118.513737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.513737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.513737 (E_RNA) where: Base-Base interactions energy: -783.191 where: short stacking energy: -337.530 Base-Backbone interact. energy: -1.205 local terms energy: -334.117578 where: bonds (distance) C4'-P energy: -62.131 bonds (distance) P-C4' energy: -59.978 flat angles C4'-P-C4' energy: -69.732 flat angles P-C4'-P energy: -41.722 tors. eta vs tors. theta energy: -100.554 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: 1 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1079.559417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.559417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.559417 (E_RNA) where: Base-Base interactions energy: -753.082 where: short stacking energy: -314.897 Base-Backbone interact. energy: 1.706 local terms energy: -328.182686 where: bonds (distance) C4'-P energy: -49.880 bonds (distance) P-C4' energy: -59.001 flat angles C4'-P-C4' energy: -72.720 flat angles P-C4'-P energy: -48.291 tors. eta vs tors. theta energy: -98.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1010.408252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.408252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.408252 (E_RNA) where: Base-Base interactions energy: -694.959 where: short stacking energy: -300.960 Base-Backbone interact. energy: -0.624 local terms energy: -314.825040 where: bonds (distance) C4'-P energy: -62.039 bonds (distance) P-C4' energy: -59.373 flat angles C4'-P-C4' energy: -69.235 flat angles P-C4'-P energy: -41.782 tors. eta vs tors. theta energy: -82.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -943.193924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.193924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.193924 (E_RNA) where: Base-Base interactions energy: -643.481 where: short stacking energy: -270.047 Base-Backbone interact. energy: -2.740 local terms energy: -296.972563 where: bonds (distance) C4'-P energy: -50.409 bonds (distance) P-C4' energy: -66.949 flat angles C4'-P-C4' energy: -64.715 flat angles P-C4'-P energy: -40.365 tors. eta vs tors. theta energy: -74.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -889.821726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.821726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.821726 (E_RNA) where: Base-Base interactions energy: -595.588 where: short stacking energy: -242.406 Base-Backbone interact. energy: -1.153 local terms energy: -293.081232 where: bonds (distance) C4'-P energy: -52.672 bonds (distance) P-C4' energy: -60.595 flat angles C4'-P-C4' energy: -59.801 flat angles P-C4'-P energy: -45.210 tors. eta vs tors. theta energy: -74.802 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: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -816.540792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.540792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.540792 (E_RNA) where: Base-Base interactions energy: -554.707 where: short stacking energy: -230.921 Base-Backbone interact. energy: 1.270 local terms energy: -263.104142 where: bonds (distance) C4'-P energy: -51.498 bonds (distance) P-C4' energy: -55.765 flat angles C4'-P-C4' energy: -53.093 flat angles P-C4'-P energy: -42.193 tors. eta vs tors. theta energy: -60.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -663.626957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.626957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.626957 (E_RNA) where: Base-Base interactions energy: -420.156 where: short stacking energy: -186.802 Base-Backbone interact. energy: -2.531 local terms energy: -240.939331 where: bonds (distance) C4'-P energy: -58.758 bonds (distance) P-C4' energy: -55.640 flat angles C4'-P-C4' energy: -58.414 flat angles P-C4'-P energy: -25.203 tors. eta vs tors. theta energy: -42.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -585.679543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.679543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.679543 (E_RNA) where: Base-Base interactions energy: -367.392 where: short stacking energy: -187.503 Base-Backbone interact. energy: 1.611 local terms energy: -219.898829 where: bonds (distance) C4'-P energy: -58.356 bonds (distance) P-C4' energy: -58.231 flat angles C4'-P-C4' energy: -44.816 flat angles P-C4'-P energy: -25.371 tors. eta vs tors. theta energy: -33.126 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: 7 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -390.616886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.616886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.616886 (E_RNA) where: Base-Base interactions energy: -197.653 where: short stacking energy: -117.085 Base-Backbone interact. energy: -1.924 local terms energy: -191.040168 where: bonds (distance) C4'-P energy: -52.765 bonds (distance) P-C4' energy: -55.529 flat angles C4'-P-C4' energy: -48.408 flat angles P-C4'-P energy: -34.177 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: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1166.107137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.107137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.107137 (E_RNA) where: Base-Base interactions energy: -821.673 where: short stacking energy: -341.562 Base-Backbone interact. energy: -1.530 local terms energy: -342.903674 where: bonds (distance) C4'-P energy: -53.725 bonds (distance) P-C4' energy: -76.141 flat angles C4'-P-C4' energy: -70.949 flat angles P-C4'-P energy: -47.930 tors. eta vs tors. theta energy: -94.158 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: 10 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1130.431348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.431348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.431348 (E_RNA) where: Base-Base interactions energy: -787.476 where: short stacking energy: -334.533 Base-Backbone interact. energy: -0.660 local terms energy: -342.294702 where: bonds (distance) C4'-P energy: -56.661 bonds (distance) P-C4' energy: -72.119 flat angles C4'-P-C4' energy: -77.094 flat angles P-C4'-P energy: -43.363 tors. eta vs tors. theta energy: -93.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1097.511498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.511498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.511498 (E_RNA) where: Base-Base interactions energy: -750.903 where: short stacking energy: -324.880 Base-Backbone interact. energy: -1.451 local terms energy: -345.157849 where: bonds (distance) C4'-P energy: -68.128 bonds (distance) P-C4' energy: -57.702 flat angles C4'-P-C4' energy: -74.895 flat angles P-C4'-P energy: -52.741 tors. eta vs tors. theta energy: -91.692 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: 9 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1013.861623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.861623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.861623 (E_RNA) where: Base-Base interactions energy: -684.868 where: short stacking energy: -299.861 Base-Backbone interact. energy: -0.365 local terms energy: -328.629018 where: bonds (distance) C4'-P energy: -62.452 bonds (distance) P-C4' energy: -58.189 flat angles C4'-P-C4' energy: -69.194 flat angles P-C4'-P energy: -54.169 tors. eta vs tors. theta energy: -84.624 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: 4 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -920.073035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.073035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.073035 (E_RNA) where: Base-Base interactions energy: -618.319 where: short stacking energy: -268.480 Base-Backbone interact. energy: 2.357 local terms energy: -304.111234 where: bonds (distance) C4'-P energy: -52.397 bonds (distance) P-C4' energy: -61.137 flat angles C4'-P-C4' energy: -64.313 flat angles P-C4'-P energy: -47.062 tors. eta vs tors. theta energy: -79.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -890.479900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.479900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.479900 (E_RNA) where: Base-Base interactions energy: -589.266 where: short stacking energy: -270.874 Base-Backbone interact. energy: -2.113 local terms energy: -299.101105 where: bonds (distance) C4'-P energy: -58.716 bonds (distance) P-C4' energy: -57.368 flat angles C4'-P-C4' energy: -60.048 flat angles P-C4'-P energy: -43.094 tors. eta vs tors. theta energy: -79.875 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: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -840.931330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.931330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.931330 (E_RNA) where: Base-Base interactions energy: -592.980 where: short stacking energy: -233.986 Base-Backbone interact. energy: 1.372 local terms energy: -249.323724 where: bonds (distance) C4'-P energy: -50.966 bonds (distance) P-C4' energy: -44.537 flat angles C4'-P-C4' energy: -63.604 flat angles P-C4'-P energy: -32.045 tors. eta vs tors. theta energy: -58.172 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: 5 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -670.069660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.069660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.069660 (E_RNA) where: Base-Base interactions energy: -429.678 where: short stacking energy: -177.288 Base-Backbone interact. energy: 2.231 local terms energy: -242.623123 where: bonds (distance) C4'-P energy: -55.978 bonds (distance) P-C4' energy: -59.207 flat angles C4'-P-C4' energy: -51.563 flat angles P-C4'-P energy: -41.925 tors. eta vs tors. theta energy: -33.951 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: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -560.223402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.223402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.223402 (E_RNA) where: Base-Base interactions energy: -350.754 where: short stacking energy: -164.454 Base-Backbone interact. energy: -0.643 local terms energy: -208.825646 where: bonds (distance) C4'-P energy: -58.949 bonds (distance) P-C4' energy: -53.412 flat angles C4'-P-C4' energy: -44.045 flat angles P-C4'-P energy: -34.101 tors. eta vs tors. theta energy: -18.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -400.765392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.765392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.765392 (E_RNA) where: Base-Base interactions energy: -221.767 where: short stacking energy: -110.821 Base-Backbone interact. energy: -0.331 local terms energy: -178.667348 where: bonds (distance) C4'-P energy: -44.795 bonds (distance) P-C4' energy: -51.438 flat angles C4'-P-C4' energy: -47.769 flat angles P-C4'-P energy: -23.526 tors. eta vs tors. theta energy: -11.138 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: 8 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1181.871666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.871666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.871666 (E_RNA) where: Base-Base interactions energy: -825.194 where: short stacking energy: -338.954 Base-Backbone interact. energy: -1.793 local terms energy: -354.885008 where: bonds (distance) C4'-P energy: -65.619 bonds (distance) P-C4' energy: -65.618 flat angles C4'-P-C4' energy: -80.413 flat angles P-C4'-P energy: -49.561 tors. eta vs tors. theta energy: -93.673 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: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1142.274713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.274713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.274713 (E_RNA) where: Base-Base interactions energy: -793.903 where: short stacking energy: -326.264 Base-Backbone interact. energy: -1.073 local terms energy: -347.298881 where: bonds (distance) C4'-P energy: -64.952 bonds (distance) P-C4' energy: -59.934 flat angles C4'-P-C4' energy: -71.182 flat angles P-C4'-P energy: -57.946 tors. eta vs tors. theta energy: -93.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1097.648433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.648433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.648433 (E_RNA) where: Base-Base interactions energy: -758.368 where: short stacking energy: -322.377 Base-Backbone interact. energy: -1.997 local terms energy: -337.283146 where: bonds (distance) C4'-P energy: -63.908 bonds (distance) P-C4' energy: -60.498 flat angles C4'-P-C4' energy: -70.538 flat angles P-C4'-P energy: -44.597 tors. eta vs tors. theta energy: -97.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -978.707109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.707109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.707109 (E_RNA) where: Base-Base interactions energy: -659.794 where: short stacking energy: -275.096 Base-Backbone interact. energy: -1.284 local terms energy: -317.628425 where: bonds (distance) C4'-P energy: -66.037 bonds (distance) P-C4' energy: -63.426 flat angles C4'-P-C4' energy: -67.297 flat angles P-C4'-P energy: -42.441 tors. eta vs tors. theta energy: -78.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -950.897968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.897968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.897968 (E_RNA) where: Base-Base interactions energy: -643.470 where: short stacking energy: -291.172 Base-Backbone interact. energy: -0.255 local terms energy: -307.173534 where: bonds (distance) C4'-P energy: -52.519 bonds (distance) P-C4' energy: -54.495 flat angles C4'-P-C4' energy: -71.368 flat angles P-C4'-P energy: -43.725 tors. eta vs tors. theta energy: -85.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -921.157080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.157080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.157080 (E_RNA) where: Base-Base interactions energy: -621.416 where: short stacking energy: -262.633 Base-Backbone interact. energy: -1.036 local terms energy: -298.705868 where: bonds (distance) C4'-P energy: -65.018 bonds (distance) P-C4' energy: -52.503 flat angles C4'-P-C4' energy: -74.527 flat angles P-C4'-P energy: -39.847 tors. eta vs tors. theta energy: -66.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -819.050458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.050458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.050458 (E_RNA) where: Base-Base interactions energy: -573.536 where: short stacking energy: -265.733 Base-Backbone interact. energy: -2.190 local terms energy: -243.323978 where: bonds (distance) C4'-P energy: -37.066 bonds (distance) P-C4' energy: -55.856 flat angles C4'-P-C4' energy: -55.328 flat angles P-C4'-P energy: -34.575 tors. eta vs tors. theta energy: -60.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -658.297977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.297977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.297977 (E_RNA) where: Base-Base interactions energy: -426.424 where: short stacking energy: -196.965 Base-Backbone interact. energy: -0.775 local terms energy: -231.099434 where: bonds (distance) C4'-P energy: -55.049 bonds (distance) P-C4' energy: -52.289 flat angles C4'-P-C4' energy: -57.446 flat angles P-C4'-P energy: -32.284 tors. eta vs tors. theta energy: -34.031 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: 2 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -587.758211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.758211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.758211 (E_RNA) where: Base-Base interactions energy: -370.691 where: short stacking energy: -175.802 Base-Backbone interact. energy: -2.430 local terms energy: -214.637813 where: bonds (distance) C4'-P energy: -47.330 bonds (distance) P-C4' energy: -48.554 flat angles C4'-P-C4' energy: -60.733 flat angles P-C4'-P energy: -31.420 tors. eta vs tors. theta energy: -26.602 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: 7 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -411.766770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.766770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.766770 (E_RNA) where: Base-Base interactions energy: -217.702 where: short stacking energy: -117.606 Base-Backbone interact. energy: -1.127 local terms energy: -192.938195 where: bonds (distance) C4'-P energy: -52.068 bonds (distance) P-C4' energy: -49.102 flat angles C4'-P-C4' energy: -46.785 flat angles P-C4'-P energy: -34.588 tors. eta vs tors. theta energy: -10.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1180.270702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.270702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.270702 (E_RNA) where: Base-Base interactions energy: -824.312 where: short stacking energy: -322.029 Base-Backbone interact. energy: -1.117 local terms energy: -354.841249 where: bonds (distance) C4'-P energy: -61.254 bonds (distance) P-C4' energy: -64.861 flat angles C4'-P-C4' energy: -76.752 flat angles P-C4'-P energy: -53.646 tors. eta vs tors. theta energy: -98.329 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: 1 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1122.856763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.856763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.856763 (E_RNA) where: Base-Base interactions energy: -776.583 where: short stacking energy: -325.994 Base-Backbone interact. energy: -0.480 local terms energy: -345.794266 where: bonds (distance) C4'-P energy: -66.792 bonds (distance) P-C4' energy: -72.514 flat angles C4'-P-C4' energy: -65.654 flat angles P-C4'-P energy: -50.482 tors. eta vs tors. theta energy: -90.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1110.222716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.222716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.222716 (E_RNA) where: Base-Base interactions energy: -778.569 where: short stacking energy: -328.423 Base-Backbone interact. energy: -0.631 local terms energy: -331.022340 where: bonds (distance) C4'-P energy: -52.269 bonds (distance) P-C4' energy: -59.071 flat angles C4'-P-C4' energy: -77.157 flat angles P-C4'-P energy: -50.321 tors. eta vs tors. theta energy: -92.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1001.148695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.148695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.148695 (E_RNA) where: Base-Base interactions energy: -693.229 where: short stacking energy: -290.581 Base-Backbone interact. energy: -0.866 local terms energy: -307.053316 where: bonds (distance) C4'-P energy: -58.172 bonds (distance) P-C4' energy: -59.201 flat angles C4'-P-C4' energy: -64.990 flat angles P-C4'-P energy: -44.594 tors. eta vs tors. theta energy: -80.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -932.296154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.296154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.296154 (E_RNA) where: Base-Base interactions energy: -623.795 where: short stacking energy: -299.335 Base-Backbone interact. energy: -0.082 local terms energy: -308.419522 where: bonds (distance) C4'-P energy: -50.990 bonds (distance) P-C4' energy: -61.660 flat angles C4'-P-C4' energy: -66.906 flat angles P-C4'-P energy: -48.210 tors. eta vs tors. theta energy: -80.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -885.950947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.950947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.950947 (E_RNA) where: Base-Base interactions energy: -608.862 where: short stacking energy: -257.748 Base-Backbone interact. energy: -1.431 local terms energy: -275.658281 where: bonds (distance) C4'-P energy: -52.388 bonds (distance) P-C4' energy: -41.407 flat angles C4'-P-C4' energy: -65.280 flat angles P-C4'-P energy: -42.320 tors. eta vs tors. theta energy: -74.264 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: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -758.774001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.774001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.774001 (E_RNA) where: Base-Base interactions energy: -514.676 where: short stacking energy: -230.028 Base-Backbone interact. energy: -2.927 local terms energy: -241.170443 where: bonds (distance) C4'-P energy: -47.519 bonds (distance) P-C4' energy: -56.117 flat angles C4'-P-C4' energy: -54.896 flat angles P-C4'-P energy: -35.339 tors. eta vs tors. theta energy: -47.300 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: 2 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -587.346269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.346269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.346269 (E_RNA) where: Base-Base interactions energy: -357.420 where: short stacking energy: -180.878 Base-Backbone interact. energy: -1.842 local terms energy: -228.084028 where: bonds (distance) C4'-P energy: -55.570 bonds (distance) P-C4' energy: -56.331 flat angles C4'-P-C4' energy: -53.353 flat angles P-C4'-P energy: -34.327 tors. eta vs tors. theta energy: -28.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -640.972164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.972164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.972164 (E_RNA) where: Base-Base interactions energy: -410.429 where: short stacking energy: -191.268 Base-Backbone interact. energy: 1.685 local terms energy: -232.227821 where: bonds (distance) C4'-P energy: -55.067 bonds (distance) P-C4' energy: -50.857 flat angles C4'-P-C4' energy: -47.313 flat angles P-C4'-P energy: -34.912 tors. eta vs tors. theta energy: -44.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -370.877042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.877042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.877042 (E_RNA) where: Base-Base interactions energy: -204.199 where: short stacking energy: -110.432 Base-Backbone interact. energy: -1.171 local terms energy: -165.507175 where: bonds (distance) C4'-P energy: -37.846 bonds (distance) P-C4' energy: -70.011 flat angles C4'-P-C4' energy: -43.502 flat angles P-C4'-P energy: -11.311 tors. eta vs tors. theta energy: -2.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1185.370005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.370005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.370005 (E_RNA) where: Base-Base interactions energy: -832.461 where: short stacking energy: -355.267 Base-Backbone interact. energy: -1.221 local terms energy: -351.687410 where: bonds (distance) C4'-P energy: -59.079 bonds (distance) P-C4' energy: -67.348 flat angles C4'-P-C4' energy: -74.091 flat angles P-C4'-P energy: -49.554 tors. eta vs tors. theta energy: -101.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1123.383378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.383378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.383378 (E_RNA) where: Base-Base interactions energy: -809.251 where: short stacking energy: -325.715 Base-Backbone interact. energy: -0.562 local terms energy: -313.570350 where: bonds (distance) C4'-P energy: -64.761 bonds (distance) P-C4' energy: -51.043 flat angles C4'-P-C4' energy: -65.397 flat angles P-C4'-P energy: -43.854 tors. eta vs tors. theta energy: -88.516 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: 3, replica: 10 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1080.390135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.390135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.390135 (E_RNA) where: Base-Base interactions energy: -743.884 where: short stacking energy: -300.559 Base-Backbone interact. energy: -1.298 local terms energy: -335.208239 where: bonds (distance) C4'-P energy: -63.980 bonds (distance) P-C4' energy: -60.628 flat angles C4'-P-C4' energy: -73.723 flat angles P-C4'-P energy: -46.244 tors. eta vs tors. theta energy: -90.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1001.774559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.774559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.774559 (E_RNA) where: Base-Base interactions energy: -691.975 where: short stacking energy: -298.616 Base-Backbone interact. energy: 1.533 local terms energy: -311.332690 where: bonds (distance) C4'-P energy: -55.837 bonds (distance) P-C4' energy: -66.230 flat angles C4'-P-C4' energy: -66.168 flat angles P-C4'-P energy: -39.698 tors. eta vs tors. theta energy: -83.400 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: 4 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -905.963163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.963163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.963163 (E_RNA) where: Base-Base interactions energy: -609.445 where: short stacking energy: -273.568 Base-Backbone interact. energy: -2.333 local terms energy: -294.184705 where: bonds (distance) C4'-P energy: -59.706 bonds (distance) P-C4' energy: -56.171 flat angles C4'-P-C4' energy: -68.785 flat angles P-C4'-P energy: -50.647 tors. eta vs tors. theta energy: -58.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -899.175824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.175824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.175824 (E_RNA) where: Base-Base interactions energy: -627.334 where: short stacking energy: -266.456 Base-Backbone interact. energy: -0.764 local terms energy: -271.077282 where: bonds (distance) C4'-P energy: -56.229 bonds (distance) P-C4' energy: -54.416 flat angles C4'-P-C4' energy: -67.575 flat angles P-C4'-P energy: -26.223 tors. eta vs tors. theta energy: -66.635 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: 6 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -753.616116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.616116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.616116 (E_RNA) where: Base-Base interactions energy: -504.478 where: short stacking energy: -223.727 Base-Backbone interact. energy: 0.372 local terms energy: -249.510417 where: bonds (distance) C4'-P energy: -55.531 bonds (distance) P-C4' energy: -43.235 flat angles C4'-P-C4' energy: -57.322 flat angles P-C4'-P energy: -33.874 tors. eta vs tors. theta energy: -59.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -612.457805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.457805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.457805 (E_RNA) where: Base-Base interactions energy: -379.086 where: short stacking energy: -178.199 Base-Backbone interact. energy: 1.380 local terms energy: -234.751826 where: bonds (distance) C4'-P energy: -61.049 bonds (distance) P-C4' energy: -59.596 flat angles C4'-P-C4' energy: -48.463 flat angles P-C4'-P energy: -20.585 tors. eta vs tors. theta energy: -45.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -633.240375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.240375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.240375 (E_RNA) where: Base-Base interactions energy: -415.338 where: short stacking energy: -159.442 Base-Backbone interact. energy: -1.313 local terms energy: -216.590006 where: bonds (distance) C4'-P energy: -50.048 bonds (distance) P-C4' energy: -53.357 flat angles C4'-P-C4' energy: -51.867 flat angles P-C4'-P energy: -36.347 tors. eta vs tors. theta energy: -24.971 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: 10, replica: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -360.038004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.038004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.038004 (E_RNA) where: Base-Base interactions energy: -185.634 where: short stacking energy: -99.564 Base-Backbone interact. energy: -0.141 local terms energy: -174.262630 where: bonds (distance) C4'-P energy: -58.928 bonds (distance) P-C4' energy: -54.109 flat angles C4'-P-C4' energy: -42.004 flat angles P-C4'-P energy: -27.513 tors. eta vs tors. theta energy: 8.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1183.622111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.622111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.622111 (E_RNA) where: Base-Base interactions energy: -834.656 where: short stacking energy: -351.725 Base-Backbone interact. energy: -0.413 local terms energy: -348.552618 where: bonds (distance) C4'-P energy: -56.092 bonds (distance) P-C4' energy: -65.925 flat angles C4'-P-C4' energy: -75.714 flat angles P-C4'-P energy: -47.795 tors. eta vs tors. theta energy: -103.027 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: 1 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1117.148128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.148128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.148128 (E_RNA) where: Base-Base interactions energy: -761.960 where: short stacking energy: -319.443 Base-Backbone interact. energy: -1.377 local terms energy: -353.811568 where: bonds (distance) C4'-P energy: -63.354 bonds (distance) P-C4' energy: -68.453 flat angles C4'-P-C4' energy: -72.029 flat angles P-C4'-P energy: -51.768 tors. eta vs tors. theta energy: -98.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1092.377477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.377477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.377477 (E_RNA) where: Base-Base interactions energy: -777.481 where: short stacking energy: -325.300 Base-Backbone interact. energy: -2.783 local terms energy: -312.112852 where: bonds (distance) C4'-P energy: -55.638 bonds (distance) P-C4' energy: -59.743 flat angles C4'-P-C4' energy: -68.546 flat angles P-C4'-P energy: -35.605 tors. eta vs tors. theta energy: -92.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1021.615710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.615710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.615710 (E_RNA) where: Base-Base interactions energy: -711.508 where: short stacking energy: -291.054 Base-Backbone interact. energy: -0.659 local terms energy: -309.448498 where: bonds (distance) C4'-P energy: -67.161 bonds (distance) P-C4' energy: -50.662 flat angles C4'-P-C4' energy: -66.230 flat angles P-C4'-P energy: -48.030 tors. eta vs tors. theta energy: -77.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -946.861058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.861058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.861058 (E_RNA) where: Base-Base interactions energy: -650.261 where: short stacking energy: -263.925 Base-Backbone interact. energy: -1.759 local terms energy: -294.840682 where: bonds (distance) C4'-P energy: -61.199 bonds (distance) P-C4' energy: -63.284 flat angles C4'-P-C4' energy: -66.325 flat angles P-C4'-P energy: -42.148 tors. eta vs tors. theta energy: -61.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -907.900420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.900420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.900420 (E_RNA) where: Base-Base interactions energy: -607.156 where: short stacking energy: -263.138 Base-Backbone interact. energy: -1.488 local terms energy: -299.256657 where: bonds (distance) C4'-P energy: -56.002 bonds (distance) P-C4' energy: -52.925 flat angles C4'-P-C4' energy: -63.509 flat angles P-C4'-P energy: -44.236 tors. eta vs tors. theta energy: -82.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -748.197276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.197276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.197276 (E_RNA) where: Base-Base interactions energy: -493.224 where: short stacking energy: -202.616 Base-Backbone interact. energy: 0.159 local terms energy: -255.132422 where: bonds (distance) C4'-P energy: -63.661 bonds (distance) P-C4' energy: -49.440 flat angles C4'-P-C4' energy: -57.282 flat angles P-C4'-P energy: -38.435 tors. eta vs tors. theta energy: -46.315 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: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -626.916798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.916798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.916798 (E_RNA) where: Base-Base interactions energy: -420.811 where: short stacking energy: -192.500 Base-Backbone interact. energy: -0.694 local terms energy: -205.411756 where: bonds (distance) C4'-P energy: -45.264 bonds (distance) P-C4' energy: -63.230 flat angles C4'-P-C4' energy: -53.356 flat angles P-C4'-P energy: -21.885 tors. eta vs tors. theta energy: -21.677 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: 2 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -569.906703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.906703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.906703 (E_RNA) where: Base-Base interactions energy: -356.288 where: short stacking energy: -161.700 Base-Backbone interact. energy: -0.081 local terms energy: -213.537809 where: bonds (distance) C4'-P energy: -46.168 bonds (distance) P-C4' energy: -48.055 flat angles C4'-P-C4' energy: -56.177 flat angles P-C4'-P energy: -33.589 tors. eta vs tors. theta energy: -29.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -341.618154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.618154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.618154 (E_RNA) where: Base-Base interactions energy: -157.100 where: short stacking energy: -95.211 Base-Backbone interact. energy: 0.924 local terms energy: -185.442076 where: bonds (distance) C4'-P energy: -50.788 bonds (distance) P-C4' energy: -55.000 flat angles C4'-P-C4' energy: -44.691 flat angles P-C4'-P energy: -34.915 tors. eta vs tors. theta energy: -0.048 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: 8 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1148.690348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.690348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.690348 (E_RNA) where: Base-Base interactions energy: -799.890 where: short stacking energy: -336.809 Base-Backbone interact. energy: -0.816 local terms energy: -347.984095 where: bonds (distance) C4'-P energy: -54.346 bonds (distance) P-C4' energy: -56.138 flat angles C4'-P-C4' energy: -79.099 flat angles P-C4'-P energy: -55.731 tors. eta vs tors. theta energy: -102.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1117.117567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.117567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.117567 (E_RNA) where: Base-Base interactions energy: -766.064 where: short stacking energy: -319.275 Base-Backbone interact. energy: 0.033 local terms energy: -351.087020 where: bonds (distance) C4'-P energy: -64.427 bonds (distance) P-C4' energy: -63.419 flat angles C4'-P-C4' energy: -78.960 flat angles P-C4'-P energy: -48.614 tors. eta vs tors. theta energy: -95.667 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: 10 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1076.393612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.393612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.393612 (E_RNA) where: Base-Base interactions energy: -726.345 where: short stacking energy: -314.190 Base-Backbone interact. energy: -0.947 local terms energy: -349.101309 where: bonds (distance) C4'-P energy: -69.995 bonds (distance) P-C4' energy: -67.062 flat angles C4'-P-C4' energy: -70.552 flat angles P-C4'-P energy: -47.037 tors. eta vs tors. theta energy: -94.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1014.202549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.202549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.202549 (E_RNA) where: Base-Base interactions energy: -717.860 where: short stacking energy: -306.164 Base-Backbone interact. energy: -3.490 local terms energy: -292.853439 where: bonds (distance) C4'-P energy: -42.825 bonds (distance) P-C4' energy: -61.263 flat angles C4'-P-C4' energy: -64.694 flat angles P-C4'-P energy: -41.083 tors. eta vs tors. theta energy: -82.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -908.722328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.722328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.722328 (E_RNA) where: Base-Base interactions energy: -606.039 where: short stacking energy: -249.049 Base-Backbone interact. energy: -2.425 local terms energy: -300.258907 where: bonds (distance) C4'-P energy: -58.305 bonds (distance) P-C4' energy: -58.663 flat angles C4'-P-C4' energy: -70.635 flat angles P-C4'-P energy: -45.327 tors. eta vs tors. theta energy: -67.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -925.501666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.501666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.501666 (E_RNA) where: Base-Base interactions energy: -621.988 where: short stacking energy: -290.343 Base-Backbone interact. energy: -1.164 local terms energy: -302.349255 where: bonds (distance) C4'-P energy: -59.889 bonds (distance) P-C4' energy: -58.874 flat angles C4'-P-C4' energy: -67.428 flat angles P-C4'-P energy: -40.461 tors. eta vs tors. theta energy: -75.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -755.916157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.916157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.916157 (E_RNA) where: Base-Base interactions energy: -498.193 where: short stacking energy: -218.145 Base-Backbone interact. energy: 0.450 local terms energy: -258.172886 where: bonds (distance) C4'-P energy: -65.592 bonds (distance) P-C4' energy: -56.759 flat angles C4'-P-C4' energy: -52.791 flat angles P-C4'-P energy: -40.029 tors. eta vs tors. theta energy: -43.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -584.430951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.430951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.430951 (E_RNA) where: Base-Base interactions energy: -356.741 where: short stacking energy: -172.165 Base-Backbone interact. energy: 2.992 local terms energy: -230.682246 where: bonds (distance) C4'-P energy: -57.257 bonds (distance) P-C4' energy: -66.638 flat angles C4'-P-C4' energy: -51.580 flat angles P-C4'-P energy: -24.183 tors. eta vs tors. theta energy: -31.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -565.539883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.539883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.539883 (E_RNA) where: Base-Base interactions energy: -342.305 where: short stacking energy: -170.883 Base-Backbone interact. energy: -0.088 local terms energy: -223.146576 where: bonds (distance) C4'-P energy: -59.474 bonds (distance) P-C4' energy: -54.482 flat angles C4'-P-C4' energy: -43.273 flat angles P-C4'-P energy: -30.333 tors. eta vs tors. theta energy: -35.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -357.518035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.518035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.518035 (E_RNA) where: Base-Base interactions energy: -180.671 where: short stacking energy: -102.802 Base-Backbone interact. energy: 0.110 local terms energy: -176.957425 where: bonds (distance) C4'-P energy: -56.185 bonds (distance) P-C4' energy: -51.600 flat angles C4'-P-C4' energy: -42.062 flat angles P-C4'-P energy: -30.804 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: 1, replica: 8 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1182.094933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.094933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.094933 (E_RNA) where: Base-Base interactions energy: -822.770 where: short stacking energy: -340.406 Base-Backbone interact. energy: -1.858 local terms energy: -357.466016 where: bonds (distance) C4'-P energy: -60.216 bonds (distance) P-C4' energy: -69.154 flat angles C4'-P-C4' energy: -77.908 flat angles P-C4'-P energy: -53.105 tors. eta vs tors. theta energy: -97.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1145.688649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.688649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.688649 (E_RNA) where: Base-Base interactions energy: -783.065 where: short stacking energy: -338.061 Base-Backbone interact. energy: -0.754 local terms energy: -361.869792 where: bonds (distance) C4'-P energy: -63.704 bonds (distance) P-C4' energy: -72.386 flat angles C4'-P-C4' energy: -75.712 flat angles P-C4'-P energy: -49.624 tors. eta vs tors. theta energy: -100.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1071.110377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.110377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.110377 (E_RNA) where: Base-Base interactions energy: -729.651 where: short stacking energy: -298.029 Base-Backbone interact. energy: -0.854 local terms energy: -340.604630 where: bonds (distance) C4'-P energy: -70.261 bonds (distance) P-C4' energy: -61.538 flat angles C4'-P-C4' energy: -61.810 flat angles P-C4'-P energy: -49.967 tors. eta vs tors. theta energy: -97.029 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: 9 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1026.188253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.188253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.188253 (E_RNA) where: Base-Base interactions energy: -705.949 where: short stacking energy: -298.611 Base-Backbone interact. energy: -0.945 local terms energy: -319.294901 where: bonds (distance) C4'-P energy: -56.283 bonds (distance) P-C4' energy: -64.221 flat angles C4'-P-C4' energy: -64.970 flat angles P-C4'-P energy: -49.112 tors. eta vs tors. theta energy: -84.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -879.077162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.077162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.077162 (E_RNA) where: Base-Base interactions energy: -597.066 where: short stacking energy: -265.255 Base-Backbone interact. energy: 2.261 local terms energy: -284.271645 where: bonds (distance) C4'-P energy: -55.418 bonds (distance) P-C4' energy: -52.094 flat angles C4'-P-C4' energy: -65.526 flat angles P-C4'-P energy: -41.376 tors. eta vs tors. theta energy: -69.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -888.493393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.493393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.493393 (E_RNA) where: Base-Base interactions energy: -599.231 where: short stacking energy: -261.846 Base-Backbone interact. energy: -0.148 local terms energy: -289.114233 where: bonds (distance) C4'-P energy: -51.232 bonds (distance) P-C4' energy: -54.334 flat angles C4'-P-C4' energy: -63.717 flat angles P-C4'-P energy: -46.214 tors. eta vs tors. theta energy: -73.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -761.173406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.173406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.173406 (E_RNA) where: Base-Base interactions energy: -517.687 where: short stacking energy: -216.457 Base-Backbone interact. energy: 0.006 local terms energy: -243.493203 where: bonds (distance) C4'-P energy: -56.321 bonds (distance) P-C4' energy: -50.994 flat angles C4'-P-C4' energy: -47.185 flat angles P-C4'-P energy: -28.399 tors. eta vs tors. theta energy: -60.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -609.636085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.636085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.636085 (E_RNA) where: Base-Base interactions energy: -379.066 where: short stacking energy: -193.398 Base-Backbone interact. energy: 1.471 local terms energy: -232.040410 where: bonds (distance) C4'-P energy: -58.880 bonds (distance) P-C4' energy: -55.784 flat angles C4'-P-C4' energy: -49.529 flat angles P-C4'-P energy: -22.214 tors. eta vs tors. theta energy: -45.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -570.109903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.109903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.109903 (E_RNA) where: Base-Base interactions energy: -357.571 where: short stacking energy: -165.599 Base-Backbone interact. energy: 0.377 local terms energy: -212.915146 where: bonds (distance) C4'-P energy: -47.454 bonds (distance) P-C4' energy: -38.531 flat angles C4'-P-C4' energy: -66.056 flat angles P-C4'-P energy: -28.356 tors. eta vs tors. theta energy: -32.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -358.012044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.012044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.012044 (E_RNA) where: Base-Base interactions energy: -169.996 where: short stacking energy: -110.579 Base-Backbone interact. energy: -1.257 local terms energy: -186.758388 where: bonds (distance) C4'-P energy: -51.804 bonds (distance) P-C4' energy: -52.749 flat angles C4'-P-C4' energy: -46.846 flat angles P-C4'-P energy: -36.178 tors. eta vs tors. theta energy: 0.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1145.178549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.178549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.178549 (E_RNA) where: Base-Base interactions energy: -795.232 where: short stacking energy: -342.426 Base-Backbone interact. energy: -0.999 local terms energy: -348.947231 where: bonds (distance) C4'-P energy: -67.243 bonds (distance) P-C4' energy: -58.273 flat angles C4'-P-C4' energy: -69.299 flat angles P-C4'-P energy: -54.106 tors. eta vs tors. theta energy: -100.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1137.657974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.657974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.657974 (E_RNA) where: Base-Base interactions energy: -804.114 where: short stacking energy: -329.344 Base-Backbone interact. energy: -1.251 local terms energy: -332.292378 where: bonds (distance) C4'-P energy: -52.036 bonds (distance) P-C4' energy: -70.243 flat angles C4'-P-C4' energy: -72.416 flat angles P-C4'-P energy: -41.645 tors. eta vs tors. theta energy: -95.952 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: 10 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1093.737657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.737657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.737657 (E_RNA) where: Base-Base interactions energy: -763.451 where: short stacking energy: -311.088 Base-Backbone interact. energy: 1.750 local terms energy: -332.036744 where: bonds (distance) C4'-P energy: -60.290 bonds (distance) P-C4' energy: -63.138 flat angles C4'-P-C4' energy: -74.611 flat angles P-C4'-P energy: -45.469 tors. eta vs tors. theta energy: -88.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -996.674548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.674548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.674548 (E_RNA) where: Base-Base interactions energy: -680.083 where: short stacking energy: -275.494 Base-Backbone interact. energy: 1.174 local terms energy: -317.764925 where: bonds (distance) C4'-P energy: -71.376 bonds (distance) P-C4' energy: -65.303 flat angles C4'-P-C4' energy: -61.398 flat angles P-C4'-P energy: -40.064 tors. eta vs tors. theta energy: -79.624 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: 3 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -911.146790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.146790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.146790 (E_RNA) where: Base-Base interactions energy: -629.307 where: short stacking energy: -253.219 Base-Backbone interact. energy: -1.488 local terms energy: -280.351263 where: bonds (distance) C4'-P energy: -49.256 bonds (distance) P-C4' energy: -63.958 flat angles C4'-P-C4' energy: -60.515 flat angles P-C4'-P energy: -43.835 tors. eta vs tors. theta energy: -62.787 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: 6, replica: 4 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -875.738436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.738436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.738436 (E_RNA) where: Base-Base interactions energy: -573.495 where: short stacking energy: -259.523 Base-Backbone interact. energy: -1.091 local terms energy: -301.152555 where: bonds (distance) C4'-P energy: -61.207 bonds (distance) P-C4' energy: -51.693 flat angles C4'-P-C4' energy: -67.646 flat angles P-C4'-P energy: -39.183 tors. eta vs tors. theta energy: -81.423 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: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -760.047690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.047690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.047690 (E_RNA) where: Base-Base interactions energy: -504.730 where: short stacking energy: -214.236 Base-Backbone interact. energy: -1.752 local terms energy: -253.564829 where: bonds (distance) C4'-P energy: -46.310 bonds (distance) P-C4' energy: -50.606 flat angles C4'-P-C4' energy: -65.784 flat angles P-C4'-P energy: -39.332 tors. eta vs tors. theta energy: -51.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -603.043772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.043772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.043772 (E_RNA) where: Base-Base interactions energy: -379.160 where: short stacking energy: -175.552 Base-Backbone interact. energy: -1.093 local terms energy: -222.790387 where: bonds (distance) C4'-P energy: -62.489 bonds (distance) P-C4' energy: -59.768 flat angles C4'-P-C4' energy: -48.109 flat angles P-C4'-P energy: -27.652 tors. eta vs tors. theta energy: -24.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -497.711878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.711878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.711878 (E_RNA) where: Base-Base interactions energy: -284.936 where: short stacking energy: -156.466 Base-Backbone interact. energy: -0.731 local terms energy: -212.044974 where: bonds (distance) C4'-P energy: -56.129 bonds (distance) P-C4' energy: -44.188 flat angles C4'-P-C4' energy: -54.149 flat angles P-C4'-P energy: -31.857 tors. eta vs tors. theta energy: -25.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -341.283873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.283873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.283873 (E_RNA) where: Base-Base interactions energy: -156.526 where: short stacking energy: -105.768 Base-Backbone interact. energy: -1.397 local terms energy: -183.360288 where: bonds (distance) C4'-P energy: -47.275 bonds (distance) P-C4' energy: -69.458 flat angles C4'-P-C4' energy: -50.259 flat angles P-C4'-P energy: -24.464 tors. eta vs tors. theta energy: 8.095 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: 1 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1151.618791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.618791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.618791 (E_RNA) where: Base-Base interactions energy: -811.087 where: short stacking energy: -334.704 Base-Backbone interact. energy: 4.736 local terms energy: -345.268485 where: bonds (distance) C4'-P energy: -62.589 bonds (distance) P-C4' energy: -68.682 flat angles C4'-P-C4' energy: -74.710 flat angles P-C4'-P energy: -50.819 tors. eta vs tors. theta energy: -88.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1161.818529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.818529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.818529 (E_RNA) where: Base-Base interactions energy: -815.110 where: short stacking energy: -343.639 Base-Backbone interact. energy: -0.565 local terms energy: -346.143529 where: bonds (distance) C4'-P energy: -65.692 bonds (distance) P-C4' energy: -64.479 flat angles C4'-P-C4' energy: -72.210 flat angles P-C4'-P energy: -39.205 tors. eta vs tors. theta energy: -104.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1090.294832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.294832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.294832 (E_RNA) where: Base-Base interactions energy: -757.762 where: short stacking energy: -333.121 Base-Backbone interact. energy: -0.784 local terms energy: -331.749554 where: bonds (distance) C4'-P energy: -63.735 bonds (distance) P-C4' energy: -61.922 flat angles C4'-P-C4' energy: -72.385 flat angles P-C4'-P energy: -44.109 tors. eta vs tors. theta energy: -89.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -998.272201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.272201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.272201 (E_RNA) where: Base-Base interactions energy: -691.048 where: short stacking energy: -276.587 Base-Backbone interact. energy: -1.286 local terms energy: -305.937402 where: bonds (distance) C4'-P energy: -61.177 bonds (distance) P-C4' energy: -59.516 flat angles C4'-P-C4' energy: -66.597 flat angles P-C4'-P energy: -46.313 tors. eta vs tors. theta energy: -72.333 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: 363 Temperature: 1.100000 Total energy: -931.034704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.034704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.034704 (E_RNA) where: Base-Base interactions energy: -614.311 where: short stacking energy: -285.840 Base-Backbone interact. energy: -2.436 local terms energy: -314.287980 where: bonds (distance) C4'-P energy: -57.585 bonds (distance) P-C4' energy: -46.607 flat angles C4'-P-C4' energy: -73.719 flat angles P-C4'-P energy: -46.104 tors. eta vs tors. theta energy: -90.273 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: 4 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -858.357656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.357656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.357656 (E_RNA) where: Base-Base interactions energy: -586.920 where: short stacking energy: -248.522 Base-Backbone interact. energy: 0.028 local terms energy: -271.465050 where: bonds (distance) C4'-P energy: -55.818 bonds (distance) P-C4' energy: -54.847 flat angles C4'-P-C4' energy: -56.319 flat angles P-C4'-P energy: -36.005 tors. eta vs tors. theta energy: -68.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -765.318171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.318171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.318171 (E_RNA) where: Base-Base interactions energy: -505.120 where: short stacking energy: -220.622 Base-Backbone interact. energy: 0.837 local terms energy: -261.034517 where: bonds (distance) C4'-P energy: -51.037 bonds (distance) P-C4' energy: -61.514 flat angles C4'-P-C4' energy: -52.360 flat angles P-C4'-P energy: -35.379 tors. eta vs tors. theta energy: -60.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -640.286743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.286743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.286743 (E_RNA) where: Base-Base interactions energy: -416.088 where: short stacking energy: -193.764 Base-Backbone interact. energy: 0.660 local terms energy: -224.858677 where: bonds (distance) C4'-P energy: -49.268 bonds (distance) P-C4' energy: -57.916 flat angles C4'-P-C4' energy: -51.012 flat angles P-C4'-P energy: -26.631 tors. eta vs tors. theta energy: -40.031 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: 2 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -513.041955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.041955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.041955 (E_RNA) where: Base-Base interactions energy: -282.223 where: short stacking energy: -131.891 Base-Backbone interact. energy: 2.308 local terms energy: -233.127088 where: bonds (distance) C4'-P energy: -62.112 bonds (distance) P-C4' energy: -62.743 flat angles C4'-P-C4' energy: -48.021 flat angles P-C4'-P energy: -37.520 tors. eta vs tors. theta energy: -22.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -404.071390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.071390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.071390 (E_RNA) where: Base-Base interactions energy: -203.301 where: short stacking energy: -116.395 Base-Backbone interact. energy: -2.073 local terms energy: -198.697432 where: bonds (distance) C4'-P energy: -58.277 bonds (distance) P-C4' energy: -60.116 flat angles C4'-P-C4' energy: -40.004 flat angles P-C4'-P energy: -37.187 tors. eta vs tors. theta energy: -3.114 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: 8 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1172.037059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.037059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.037059 (E_RNA) where: Base-Base interactions energy: -820.098 where: short stacking energy: -350.065 Base-Backbone interact. energy: 0.421 local terms energy: -352.359671 where: bonds (distance) C4'-P energy: -62.098 bonds (distance) P-C4' energy: -58.490 flat angles C4'-P-C4' energy: -77.700 flat angles P-C4'-P energy: -52.710 tors. eta vs tors. theta energy: -101.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1135.056085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.056085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.056085 (E_RNA) where: Base-Base interactions energy: -780.118 where: short stacking energy: -334.198 Base-Backbone interact. energy: -0.870 local terms energy: -354.068870 where: bonds (distance) C4'-P energy: -60.732 bonds (distance) P-C4' energy: -65.104 flat angles C4'-P-C4' energy: -73.741 flat angles P-C4'-P energy: -54.529 tors. eta vs tors. theta energy: -99.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1051.802147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.802147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.802147 (E_RNA) where: Base-Base interactions energy: -720.882 where: short stacking energy: -289.832 Base-Backbone interact. energy: -0.494 local terms energy: -330.425777 where: bonds (distance) C4'-P energy: -62.815 bonds (distance) P-C4' energy: -71.002 flat angles C4'-P-C4' energy: -72.034 flat angles P-C4'-P energy: -41.874 tors. eta vs tors. theta energy: -82.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1024.116425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.116425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.116425 (E_RNA) where: Base-Base interactions energy: -724.073 where: short stacking energy: -318.550 Base-Backbone interact. energy: -1.442 local terms energy: -298.600768 where: bonds (distance) C4'-P energy: -52.073 bonds (distance) P-C4' energy: -49.077 flat angles C4'-P-C4' energy: -70.443 flat angles P-C4'-P energy: -41.484 tors. eta vs tors. theta energy: -85.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -910.215527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.215527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.215527 (E_RNA) where: Base-Base interactions energy: -611.703 where: short stacking energy: -283.547 Base-Backbone interact. energy: -0.868 local terms energy: -297.644150 where: bonds (distance) C4'-P energy: -55.482 bonds (distance) P-C4' energy: -61.689 flat angles C4'-P-C4' energy: -70.600 flat angles P-C4'-P energy: -38.626 tors. eta vs tors. theta energy: -71.248 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: 6, replica: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -855.853564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.853564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.853564 (E_RNA) where: Base-Base interactions energy: -572.165 where: short stacking energy: -246.098 Base-Backbone interact. energy: -1.529 local terms energy: -282.159278 where: bonds (distance) C4'-P energy: -58.149 bonds (distance) P-C4' energy: -62.302 flat angles C4'-P-C4' energy: -49.820 flat angles P-C4'-P energy: -39.145 tors. eta vs tors. theta energy: -72.743 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: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -777.721267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.721267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.721267 (E_RNA) where: Base-Base interactions energy: -500.875 where: short stacking energy: -227.031 Base-Backbone interact. energy: 0.295 local terms energy: -277.141923 where: bonds (distance) C4'-P energy: -58.726 bonds (distance) P-C4' energy: -62.771 flat angles C4'-P-C4' energy: -67.631 flat angles P-C4'-P energy: -25.410 tors. eta vs tors. theta energy: -62.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -604.829334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.829334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.829334 (E_RNA) where: Base-Base interactions energy: -376.239 where: short stacking energy: -185.290 Base-Backbone interact. energy: -0.892 local terms energy: -227.698613 where: bonds (distance) C4'-P energy: -42.112 bonds (distance) P-C4' energy: -64.029 flat angles C4'-P-C4' energy: -52.894 flat angles P-C4'-P energy: -35.196 tors. eta vs tors. theta energy: -33.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -546.503583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.503583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.503583 (E_RNA) where: Base-Base interactions energy: -319.882 where: short stacking energy: -181.142 Base-Backbone interact. energy: 0.338 local terms energy: -226.959395 where: bonds (distance) C4'-P energy: -47.410 bonds (distance) P-C4' energy: -54.534 flat angles C4'-P-C4' energy: -56.191 flat angles P-C4'-P energy: -38.418 tors. eta vs tors. theta energy: -30.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -372.134144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.134144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.134144 (E_RNA) where: Base-Base interactions energy: -180.712 where: short stacking energy: -104.006 Base-Backbone interact. energy: 0.774 local terms energy: -192.195697 where: bonds (distance) C4'-P energy: -39.397 bonds (distance) P-C4' energy: -60.632 flat angles C4'-P-C4' energy: -47.218 flat angles P-C4'-P energy: -31.169 tors. eta vs tors. theta energy: -13.780 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: 8 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1182.748113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.748113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.748113 (E_RNA) where: Base-Base interactions energy: -820.387 where: short stacking energy: -331.632 Base-Backbone interact. energy: -1.844 local terms energy: -360.517036 where: bonds (distance) C4'-P energy: -58.707 bonds (distance) P-C4' energy: -63.291 flat angles C4'-P-C4' energy: -77.701 flat angles P-C4'-P energy: -61.551 tors. eta vs tors. theta energy: -99.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1123.765008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.765008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.765008 (E_RNA) where: Base-Base interactions energy: -783.457 where: short stacking energy: -333.795 Base-Backbone interact. energy: -1.385 local terms energy: -338.923046 where: bonds (distance) C4'-P energy: -68.186 bonds (distance) P-C4' energy: -61.174 flat angles C4'-P-C4' energy: -68.575 flat angles P-C4'-P energy: -43.309 tors. eta vs tors. theta energy: -97.679 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: 10 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1069.892917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.892917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.892917 (E_RNA) where: Base-Base interactions energy: -743.946 where: short stacking energy: -316.669 Base-Backbone interact. energy: -0.159 local terms energy: -325.787990 where: bonds (distance) C4'-P energy: -58.279 bonds (distance) P-C4' energy: -69.617 flat angles C4'-P-C4' energy: -69.055 flat angles P-C4'-P energy: -36.288 tors. eta vs tors. theta energy: -92.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1034.895845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.895845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.895845 (E_RNA) where: Base-Base interactions energy: -701.043 where: short stacking energy: -290.464 Base-Backbone interact. energy: -2.223 local terms energy: -331.628958 where: bonds (distance) C4'-P energy: -62.190 bonds (distance) P-C4' energy: -76.216 flat angles C4'-P-C4' energy: -70.004 flat angles P-C4'-P energy: -42.150 tors. eta vs tors. theta energy: -81.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -930.097480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.097480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.097480 (E_RNA) where: Base-Base interactions energy: -618.357 where: short stacking energy: -299.499 Base-Backbone interact. energy: 5.754 local terms energy: -317.494509 where: bonds (distance) C4'-P energy: -65.556 bonds (distance) P-C4' energy: -51.749 flat angles C4'-P-C4' energy: -61.571 flat angles P-C4'-P energy: -47.169 tors. eta vs tors. theta energy: -91.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -827.552802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.552802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.552802 (E_RNA) where: Base-Base interactions energy: -537.535 where: short stacking energy: -224.645 Base-Backbone interact. energy: -1.432 local terms energy: -288.585528 where: bonds (distance) C4'-P energy: -46.865 bonds (distance) P-C4' energy: -69.798 flat angles C4'-P-C4' energy: -71.100 flat angles P-C4'-P energy: -40.986 tors. eta vs tors. theta energy: -59.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -825.519986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.519986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.519986 (E_RNA) where: Base-Base interactions energy: -556.899 where: short stacking energy: -239.847 Base-Backbone interact. energy: -1.219 local terms energy: -267.401700 where: bonds (distance) C4'-P energy: -46.232 bonds (distance) P-C4' energy: -55.136 flat angles C4'-P-C4' energy: -61.741 flat angles P-C4'-P energy: -42.730 tors. eta vs tors. theta energy: -61.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -616.665186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.665186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.665186 (E_RNA) where: Base-Base interactions energy: -380.958 where: short stacking energy: -191.235 Base-Backbone interact. energy: -0.590 local terms energy: -235.117386 where: bonds (distance) C4'-P energy: -55.904 bonds (distance) P-C4' energy: -51.284 flat angles C4'-P-C4' energy: -47.742 flat angles P-C4'-P energy: -41.932 tors. eta vs tors. theta energy: -38.255 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: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -575.594237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.594237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.594237 (E_RNA) where: Base-Base interactions energy: -355.671 where: short stacking energy: -181.879 Base-Backbone interact. energy: 3.674 local terms energy: -223.597859 where: bonds (distance) C4'-P energy: -40.420 bonds (distance) P-C4' energy: -56.469 flat angles C4'-P-C4' energy: -57.583 flat angles P-C4'-P energy: -33.474 tors. eta vs tors. theta energy: -35.652 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: 365 Temperature: 1.350000 Total energy: -377.639160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.639160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.639160 (E_RNA) where: Base-Base interactions energy: -186.443 where: short stacking energy: -114.503 Base-Backbone interact. energy: 4.925 local terms energy: -196.121421 where: bonds (distance) C4'-P energy: -46.577 bonds (distance) P-C4' energy: -52.948 flat angles C4'-P-C4' energy: -56.190 flat angles P-C4'-P energy: -32.747 tors. eta vs tors. theta energy: -7.659 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: 8 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1168.350324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.350324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.350324 (E_RNA) where: Base-Base interactions energy: -815.264 where: short stacking energy: -334.245 Base-Backbone interact. energy: -0.475 local terms energy: -352.611426 where: bonds (distance) C4'-P energy: -61.181 bonds (distance) P-C4' energy: -67.391 flat angles C4'-P-C4' energy: -70.913 flat angles P-C4'-P energy: -50.350 tors. eta vs tors. theta energy: -102.776 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: 366 Temperature: 0.950000 Total energy: -1108.148922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.148922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.148922 (E_RNA) where: Base-Base interactions energy: -766.596 where: short stacking energy: -321.599 Base-Backbone interact. energy: -2.136 local terms energy: -339.416690 where: bonds (distance) C4'-P energy: -71.686 bonds (distance) P-C4' energy: -53.244 flat angles C4'-P-C4' energy: -70.873 flat angles P-C4'-P energy: -52.018 tors. eta vs tors. theta energy: -91.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1081.714029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.714029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.714029 (E_RNA) where: Base-Base interactions energy: -757.082 where: short stacking energy: -319.704 Base-Backbone interact. energy: -1.026 local terms energy: -323.605248 where: bonds (distance) C4'-P energy: -58.257 bonds (distance) P-C4' energy: -64.818 flat angles C4'-P-C4' energy: -70.348 flat angles P-C4'-P energy: -35.446 tors. eta vs tors. theta energy: -94.737 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: 9 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1014.547057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.547057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.547057 (E_RNA) where: Base-Base interactions energy: -676.883 where: short stacking energy: -299.319 Base-Backbone interact. energy: -1.010 local terms energy: -336.653819 where: bonds (distance) C4'-P energy: -66.668 bonds (distance) P-C4' energy: -64.283 flat angles C4'-P-C4' energy: -67.471 flat angles P-C4'-P energy: -54.387 tors. eta vs tors. theta energy: -83.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -901.173136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.173136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.173136 (E_RNA) where: Base-Base interactions energy: -586.647 where: short stacking energy: -283.231 Base-Backbone interact. energy: -1.075 local terms energy: -313.451318 where: bonds (distance) C4'-P energy: -57.204 bonds (distance) P-C4' energy: -62.825 flat angles C4'-P-C4' energy: -63.176 flat angles P-C4'-P energy: -40.920 tors. eta vs tors. theta energy: -89.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -834.644579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.644579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.644579 (E_RNA) where: Base-Base interactions energy: -549.635 where: short stacking energy: -266.310 Base-Backbone interact. energy: -1.309 local terms energy: -283.700695 where: bonds (distance) C4'-P energy: -50.088 bonds (distance) P-C4' energy: -55.543 flat angles C4'-P-C4' energy: -72.534 flat angles P-C4'-P energy: -37.774 tors. eta vs tors. theta energy: -67.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -826.102749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.102749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.102749 (E_RNA) where: Base-Base interactions energy: -558.585 where: short stacking energy: -241.530 Base-Backbone interact. energy: 0.913 local terms energy: -268.431198 where: bonds (distance) C4'-P energy: -60.507 bonds (distance) P-C4' energy: -52.295 flat angles C4'-P-C4' energy: -61.370 flat angles P-C4'-P energy: -34.467 tors. eta vs tors. theta energy: -59.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -606.641478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.641478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.641478 (E_RNA) where: Base-Base interactions energy: -381.935 where: short stacking energy: -159.361 Base-Backbone interact. energy: -0.658 local terms energy: -224.048388 where: bonds (distance) C4'-P energy: -44.356 bonds (distance) P-C4' energy: -55.205 flat angles C4'-P-C4' energy: -63.199 flat angles P-C4'-P energy: -31.707 tors. eta vs tors. theta energy: -29.582 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: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -577.363846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.363846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.363846 (E_RNA) where: Base-Base interactions energy: -345.090 where: short stacking energy: -146.719 Base-Backbone interact. energy: -2.620 local terms energy: -229.653568 where: bonds (distance) C4'-P energy: -46.707 bonds (distance) P-C4' energy: -61.378 flat angles C4'-P-C4' energy: -53.198 flat angles P-C4'-P energy: -34.983 tors. eta vs tors. theta energy: -33.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -434.938738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.938738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.938738 (E_RNA) where: Base-Base interactions energy: -212.413 where: short stacking energy: -152.325 Base-Backbone interact. energy: -0.544 local terms energy: -221.982074 where: bonds (distance) C4'-P energy: -54.324 bonds (distance) P-C4' energy: -55.493 flat angles C4'-P-C4' energy: -49.328 flat angles P-C4'-P energy: -41.523 tors. eta vs tors. theta energy: -21.313 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: 8 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1205.665342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.665342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.665342 (E_RNA) where: Base-Base interactions energy: -856.916 where: short stacking energy: -349.780 Base-Backbone interact. energy: -2.538 local terms energy: -346.211669 where: bonds (distance) C4'-P energy: -56.181 bonds (distance) P-C4' energy: -65.252 flat angles C4'-P-C4' energy: -75.532 flat angles P-C4'-P energy: -48.445 tors. eta vs tors. theta energy: -100.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1116.991072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.991072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.991072 (E_RNA) where: Base-Base interactions energy: -772.267 where: short stacking energy: -327.632 Base-Backbone interact. energy: -0.211 local terms energy: -344.512793 where: bonds (distance) C4'-P energy: -53.864 bonds (distance) P-C4' energy: -64.538 flat angles C4'-P-C4' energy: -79.312 flat angles P-C4'-P energy: -56.004 tors. eta vs tors. theta energy: -90.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1087.593188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.593188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.593188 (E_RNA) where: Base-Base interactions energy: -771.941 where: short stacking energy: -306.367 Base-Backbone interact. energy: -1.394 local terms energy: -314.257434 where: bonds (distance) C4'-P energy: -59.548 bonds (distance) P-C4' energy: -63.593 flat angles C4'-P-C4' energy: -72.121 flat angles P-C4'-P energy: -34.748 tors. eta vs tors. theta energy: -84.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1025.273102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.273102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.273102 (E_RNA) where: Base-Base interactions energy: -703.383 where: short stacking energy: -289.880 Base-Backbone interact. energy: -0.889 local terms energy: -321.001398 where: bonds (distance) C4'-P energy: -58.793 bonds (distance) P-C4' energy: -69.239 flat angles C4'-P-C4' energy: -65.182 flat angles P-C4'-P energy: -46.119 tors. eta vs tors. theta energy: -81.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -927.384096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.384096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.384096 (E_RNA) where: Base-Base interactions energy: -625.418 where: short stacking energy: -283.025 Base-Backbone interact. energy: 4.125 local terms energy: -306.091045 where: bonds (distance) C4'-P energy: -48.823 bonds (distance) P-C4' energy: -64.082 flat angles C4'-P-C4' energy: -66.640 flat angles P-C4'-P energy: -45.415 tors. eta vs tors. theta energy: -81.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -848.850160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.850160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.850160 (E_RNA) where: Base-Base interactions energy: -573.375 where: short stacking energy: -257.240 Base-Backbone interact. energy: -0.974 local terms energy: -274.500421 where: bonds (distance) C4'-P energy: -55.620 bonds (distance) P-C4' energy: -62.151 flat angles C4'-P-C4' energy: -52.748 flat angles P-C4'-P energy: -42.958 tors. eta vs tors. theta energy: -61.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -771.148004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.148004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.148004 (E_RNA) where: Base-Base interactions energy: -509.188 where: short stacking energy: -229.363 Base-Backbone interact. energy: -1.130 local terms energy: -260.829999 where: bonds (distance) C4'-P energy: -58.232 bonds (distance) P-C4' energy: -61.424 flat angles C4'-P-C4' energy: -51.763 flat angles P-C4'-P energy: -37.767 tors. eta vs tors. theta energy: -51.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -597.457199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.457199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.457199 (E_RNA) where: Base-Base interactions energy: -382.744 where: short stacking energy: -180.067 Base-Backbone interact. energy: 0.051 local terms energy: -214.764773 where: bonds (distance) C4'-P energy: -49.942 bonds (distance) P-C4' energy: -51.254 flat angles C4'-P-C4' energy: -52.269 flat angles P-C4'-P energy: -25.524 tors. eta vs tors. theta energy: -35.776 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: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -595.944141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.944141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.944141 (E_RNA) where: Base-Base interactions energy: -332.074 where: short stacking energy: -159.840 Base-Backbone interact. energy: -1.008 local terms energy: -262.862118 where: bonds (distance) C4'-P energy: -70.538 bonds (distance) P-C4' energy: -58.019 flat angles C4'-P-C4' energy: -56.573 flat angles P-C4'-P energy: -41.588 tors. eta vs tors. theta energy: -36.144 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: 7 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -386.343315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.343315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.343315 (E_RNA) where: Base-Base interactions energy: -198.210 where: short stacking energy: -120.032 Base-Backbone interact. energy: -0.682 local terms energy: -187.450911 where: bonds (distance) C4'-P energy: -47.671 bonds (distance) P-C4' energy: -60.105 flat angles C4'-P-C4' energy: -52.050 flat angles P-C4'-P energy: -28.915 tors. eta vs tors. theta energy: 1.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1192.487997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.487997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.487997 (E_RNA) where: Base-Base interactions energy: -844.047 where: short stacking energy: -349.085 Base-Backbone interact. energy: -2.004 local terms energy: -346.437021 where: bonds (distance) C4'-P energy: -62.460 bonds (distance) P-C4' energy: -68.625 flat angles C4'-P-C4' energy: -70.816 flat angles P-C4'-P energy: -52.572 tors. eta vs tors. theta energy: -91.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1115.741382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.741382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.741382 (E_RNA) where: Base-Base interactions energy: -781.219 where: short stacking energy: -334.714 Base-Backbone interact. energy: -1.677 local terms energy: -332.845630 where: bonds (distance) C4'-P energy: -63.289 bonds (distance) P-C4' energy: -66.151 flat angles C4'-P-C4' energy: -72.912 flat angles P-C4'-P energy: -44.615 tors. eta vs tors. theta energy: -85.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1075.448877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.448877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.448877 (E_RNA) where: Base-Base interactions energy: -759.311 where: short stacking energy: -307.234 Base-Backbone interact. energy: -1.228 local terms energy: -314.910718 where: bonds (distance) C4'-P energy: -55.815 bonds (distance) P-C4' energy: -60.633 flat angles C4'-P-C4' energy: -70.787 flat angles P-C4'-P energy: -42.309 tors. eta vs tors. theta energy: -85.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1036.629620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.629620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.629620 (E_RNA) where: Base-Base interactions energy: -709.441 where: short stacking energy: -310.143 Base-Backbone interact. energy: -1.853 local terms energy: -325.335543 where: bonds (distance) C4'-P energy: -64.028 bonds (distance) P-C4' energy: -57.492 flat angles C4'-P-C4' energy: -72.439 flat angles P-C4'-P energy: -43.913 tors. eta vs tors. theta energy: -87.463 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: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -976.378291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.378291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.378291 (E_RNA) where: Base-Base interactions energy: -671.472 where: short stacking energy: -299.556 Base-Backbone interact. energy: 2.643 local terms energy: -307.550137 where: bonds (distance) C4'-P energy: -62.235 bonds (distance) P-C4' energy: -60.176 flat angles C4'-P-C4' energy: -67.561 flat angles P-C4'-P energy: -37.024 tors. eta vs tors. theta energy: -80.555 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: 4 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -839.879646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.879646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.879646 (E_RNA) where: Base-Base interactions energy: -556.711 where: short stacking energy: -236.484 Base-Backbone interact. energy: 2.685 local terms energy: -285.853839 where: bonds (distance) C4'-P energy: -62.895 bonds (distance) P-C4' energy: -51.299 flat angles C4'-P-C4' energy: -66.759 flat angles P-C4'-P energy: -42.402 tors. eta vs tors. theta energy: -62.499 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: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -772.018484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.018484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.018484 (E_RNA) where: Base-Base interactions energy: -492.142 where: short stacking energy: -229.584 Base-Backbone interact. energy: -0.844 local terms energy: -279.032552 where: bonds (distance) C4'-P energy: -60.193 bonds (distance) P-C4' energy: -57.342 flat angles C4'-P-C4' energy: -55.122 flat angles P-C4'-P energy: -45.515 tors. eta vs tors. theta energy: -60.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -603.482800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.482800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.482800 (E_RNA) where: Base-Base interactions energy: -368.470 where: short stacking energy: -161.903 Base-Backbone interact. energy: -1.330 local terms energy: -233.683029 where: bonds (distance) C4'-P energy: -44.971 bonds (distance) P-C4' energy: -60.024 flat angles C4'-P-C4' energy: -58.525 flat angles P-C4'-P energy: -34.867 tors. eta vs tors. theta energy: -35.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -559.696105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.696105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.696105 (E_RNA) where: Base-Base interactions energy: -325.383 where: short stacking energy: -175.839 Base-Backbone interact. energy: -2.466 local terms energy: -231.847926 where: bonds (distance) C4'-P energy: -48.131 bonds (distance) P-C4' energy: -68.622 flat angles C4'-P-C4' energy: -52.832 flat angles P-C4'-P energy: -33.593 tors. eta vs tors. theta energy: -28.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -377.439702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.439702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.439702 (E_RNA) where: Base-Base interactions energy: -179.109 where: short stacking energy: -102.564 Base-Backbone interact. energy: -1.067 local terms energy: -197.262944 where: bonds (distance) C4'-P energy: -55.944 bonds (distance) P-C4' energy: -60.214 flat angles C4'-P-C4' energy: -48.567 flat angles P-C4'-P energy: -30.705 tors. eta vs tors. theta energy: -1.833 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: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1191.508699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.508699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.508699 (E_RNA) where: Base-Base interactions energy: -827.324 where: short stacking energy: -341.007 Base-Backbone interact. energy: -0.274 local terms energy: -363.910766 where: bonds (distance) C4'-P energy: -73.706 bonds (distance) P-C4' energy: -70.740 flat angles C4'-P-C4' energy: -69.079 flat angles P-C4'-P energy: -56.250 tors. eta vs tors. theta energy: -94.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1078.333823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.333823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.333823 (E_RNA) where: Base-Base interactions energy: -768.409 where: short stacking energy: -317.674 Base-Backbone interact. energy: -2.707 local terms energy: -307.217581 where: bonds (distance) C4'-P energy: -51.320 bonds (distance) P-C4' energy: -60.090 flat angles C4'-P-C4' energy: -68.158 flat angles P-C4'-P energy: -42.831 tors. eta vs tors. theta energy: -84.819 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: 1 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1094.227382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.227382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.227382 (E_RNA) where: Base-Base interactions energy: -758.263 where: short stacking energy: -320.724 Base-Backbone interact. energy: 0.246 local terms energy: -336.209630 where: bonds (distance) C4'-P energy: -62.306 bonds (distance) P-C4' energy: -56.798 flat angles C4'-P-C4' energy: -68.346 flat angles P-C4'-P energy: -56.127 tors. eta vs tors. theta energy: -92.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1033.138132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.138132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.138132 (E_RNA) where: Base-Base interactions energy: -702.576 where: short stacking energy: -300.521 Base-Backbone interact. energy: -1.611 local terms energy: -328.951315 where: bonds (distance) C4'-P energy: -62.620 bonds (distance) P-C4' energy: -64.336 flat angles C4'-P-C4' energy: -75.870 flat angles P-C4'-P energy: -44.141 tors. eta vs tors. theta energy: -81.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -955.197335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.197335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.197335 (E_RNA) where: Base-Base interactions energy: -649.973 where: short stacking energy: -286.234 Base-Backbone interact. energy: -1.453 local terms energy: -303.771181 where: bonds (distance) C4'-P energy: -56.988 bonds (distance) P-C4' energy: -63.226 flat angles C4'-P-C4' energy: -67.898 flat angles P-C4'-P energy: -41.859 tors. eta vs tors. theta energy: -73.800 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: 4 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -857.191395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.191395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.191395 (E_RNA) where: Base-Base interactions energy: -574.921 where: short stacking energy: -255.798 Base-Backbone interact. energy: -0.236 local terms energy: -282.034331 where: bonds (distance) C4'-P energy: -58.430 bonds (distance) P-C4' energy: -53.358 flat angles C4'-P-C4' energy: -66.149 flat angles P-C4'-P energy: -43.563 tors. eta vs tors. theta energy: -60.535 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: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -776.064235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.064235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.064235 (E_RNA) where: Base-Base interactions energy: -536.274 where: short stacking energy: -235.098 Base-Backbone interact. energy: 1.161 local terms energy: -240.951136 where: bonds (distance) C4'-P energy: -41.944 bonds (distance) P-C4' energy: -43.562 flat angles C4'-P-C4' energy: -63.147 flat angles P-C4'-P energy: -37.568 tors. eta vs tors. theta energy: -54.730 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: 2 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -567.311107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.311107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.311107 (E_RNA) where: Base-Base interactions energy: -335.971 where: short stacking energy: -165.423 Base-Backbone interact. energy: -0.591 local terms energy: -230.748909 where: bonds (distance) C4'-P energy: -53.918 bonds (distance) P-C4' energy: -68.263 flat angles C4'-P-C4' energy: -36.703 flat angles P-C4'-P energy: -45.559 tors. eta vs tors. theta energy: -26.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -578.807041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.807041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.807041 (E_RNA) where: Base-Base interactions energy: -327.832 where: short stacking energy: -147.225 Base-Backbone interact. energy: 0.437 local terms energy: -251.411944 where: bonds (distance) C4'-P energy: -51.314 bonds (distance) P-C4' energy: -73.240 flat angles C4'-P-C4' energy: -56.102 flat angles P-C4'-P energy: -30.101 tors. eta vs tors. theta energy: -40.655 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: 7 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -326.809426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.809426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.809426 (E_RNA) where: Base-Base interactions energy: -160.815 where: short stacking energy: -92.855 Base-Backbone interact. energy: 3.910 local terms energy: -169.904776 where: bonds (distance) C4'-P energy: -57.907 bonds (distance) P-C4' energy: -45.759 flat angles C4'-P-C4' energy: -43.631 flat angles P-C4'-P energy: -26.070 tors. eta vs tors. theta energy: 3.462 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: 8 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1174.468139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.468139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.468139 (E_RNA) where: Base-Base interactions energy: -823.630 where: short stacking energy: -330.978 Base-Backbone interact. energy: -2.937 local terms energy: -347.901558 where: bonds (distance) C4'-P energy: -71.315 bonds (distance) P-C4' energy: -68.034 flat angles C4'-P-C4' energy: -69.219 flat angles P-C4'-P energy: -46.073 tors. eta vs tors. theta energy: -93.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1095.434874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.434874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.434874 (E_RNA) where: Base-Base interactions energy: -769.816 where: short stacking energy: -319.522 Base-Backbone interact. energy: -0.493 local terms energy: -325.125690 where: bonds (distance) C4'-P energy: -51.513 bonds (distance) P-C4' energy: -65.628 flat angles C4'-P-C4' energy: -73.440 flat angles P-C4'-P energy: -36.091 tors. eta vs tors. theta energy: -98.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1090.894137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.894137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.894137 (E_RNA) where: Base-Base interactions energy: -753.818 where: short stacking energy: -331.698 Base-Backbone interact. energy: -1.061 local terms energy: -336.015356 where: bonds (distance) C4'-P energy: -56.043 bonds (distance) P-C4' energy: -69.830 flat angles C4'-P-C4' energy: -74.757 flat angles P-C4'-P energy: -42.608 tors. eta vs tors. theta energy: -92.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1014.954986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.954986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.954986 (E_RNA) where: Base-Base interactions energy: -708.582 where: short stacking energy: -304.076 Base-Backbone interact. energy: -1.406 local terms energy: -304.967550 where: bonds (distance) C4'-P energy: -56.827 bonds (distance) P-C4' energy: -62.356 flat angles C4'-P-C4' energy: -69.314 flat angles P-C4'-P energy: -39.375 tors. eta vs tors. theta energy: -77.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1002.566128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.566128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.566128 (E_RNA) where: Base-Base interactions energy: -683.138 where: short stacking energy: -303.835 Base-Backbone interact. energy: -0.654 local terms energy: -318.774307 where: bonds (distance) C4'-P energy: -59.784 bonds (distance) P-C4' energy: -60.353 flat angles C4'-P-C4' energy: -66.011 flat angles P-C4'-P energy: -40.628 tors. eta vs tors. theta energy: -91.997 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: 4 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -874.859136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.859136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.859136 (E_RNA) where: Base-Base interactions energy: -581.497 where: short stacking energy: -256.906 Base-Backbone interact. energy: 0.818 local terms energy: -294.179802 where: bonds (distance) C4'-P energy: -67.475 bonds (distance) P-C4' energy: -68.367 flat angles C4'-P-C4' energy: -50.029 flat angles P-C4'-P energy: -36.803 tors. eta vs tors. theta energy: -71.507 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: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -729.202784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.202784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.202784 (E_RNA) where: Base-Base interactions energy: -464.110 where: short stacking energy: -207.890 Base-Backbone interact. energy: 2.584 local terms energy: -267.676180 where: bonds (distance) C4'-P energy: -55.151 bonds (distance) P-C4' energy: -62.923 flat angles C4'-P-C4' energy: -64.064 flat angles P-C4'-P energy: -43.311 tors. eta vs tors. theta energy: -42.228 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: 2 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -570.336082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.336082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.336082 (E_RNA) where: Base-Base interactions energy: -339.033 where: short stacking energy: -176.964 Base-Backbone interact. energy: -1.037 local terms energy: -230.266124 where: bonds (distance) C4'-P energy: -55.659 bonds (distance) P-C4' energy: -50.145 flat angles C4'-P-C4' energy: -52.665 flat angles P-C4'-P energy: -36.380 tors. eta vs tors. theta energy: -35.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -591.740846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.740846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.740846 (E_RNA) where: Base-Base interactions energy: -379.921 where: short stacking energy: -178.040 Base-Backbone interact. energy: -0.383 local terms energy: -211.437150 where: bonds (distance) C4'-P energy: -56.057 bonds (distance) P-C4' energy: -59.531 flat angles C4'-P-C4' energy: -47.188 flat angles P-C4'-P energy: -29.230 tors. eta vs tors. theta energy: -19.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -286.140286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.140286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.140286 (E_RNA) where: Base-Base interactions energy: -108.392 where: short stacking energy: -91.078 Base-Backbone interact. energy: 1.343 local terms energy: -179.090359 where: bonds (distance) C4'-P energy: -57.244 bonds (distance) P-C4' energy: -38.918 flat angles C4'-P-C4' energy: -54.342 flat angles P-C4'-P energy: -24.776 tors. eta vs tors. theta energy: -3.810 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: 8 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1188.589143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.589143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.589143 (E_RNA) where: Base-Base interactions energy: -831.977 where: short stacking energy: -352.385 Base-Backbone interact. energy: -1.632 local terms energy: -354.979922 where: bonds (distance) C4'-P energy: -60.033 bonds (distance) P-C4' energy: -71.285 flat angles C4'-P-C4' energy: -72.191 flat angles P-C4'-P energy: -47.655 tors. eta vs tors. theta energy: -103.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1098.649009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.649009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.649009 (E_RNA) where: Base-Base interactions energy: -757.783 where: short stacking energy: -319.694 Base-Backbone interact. energy: 0.885 local terms energy: -341.751453 where: bonds (distance) C4'-P energy: -58.813 bonds (distance) P-C4' energy: -66.578 flat angles C4'-P-C4' energy: -73.651 flat angles P-C4'-P energy: -52.659 tors. eta vs tors. theta energy: -90.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1103.766003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.766003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.766003 (E_RNA) where: Base-Base interactions energy: -756.439 where: short stacking energy: -319.176 Base-Backbone interact. energy: 0.957 local terms energy: -348.284100 where: bonds (distance) C4'-P energy: -66.354 bonds (distance) P-C4' energy: -60.070 flat angles C4'-P-C4' energy: -74.953 flat angles P-C4'-P energy: -51.780 tors. eta vs tors. theta energy: -95.127 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: 3 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -994.733509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.733509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.733509 (E_RNA) where: Base-Base interactions energy: -673.610 where: short stacking energy: -308.404 Base-Backbone interact. energy: -2.322 local terms energy: -318.801833 where: bonds (distance) C4'-P energy: -55.857 bonds (distance) P-C4' energy: -59.528 flat angles C4'-P-C4' energy: -69.282 flat angles P-C4'-P energy: -43.123 tors. eta vs tors. theta energy: -91.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -987.236708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.236708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.236708 (E_RNA) where: Base-Base interactions energy: -673.210 where: short stacking energy: -283.741 Base-Backbone interact. energy: -0.492 local terms energy: -313.535309 where: bonds (distance) C4'-P energy: -59.503 bonds (distance) P-C4' energy: -58.382 flat angles C4'-P-C4' energy: -65.926 flat angles P-C4'-P energy: -44.973 tors. eta vs tors. theta energy: -84.752 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: 4 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -870.885775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.885775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.885775 (E_RNA) where: Base-Base interactions energy: -582.266 where: short stacking energy: -254.463 Base-Backbone interact. energy: 0.924 local terms energy: -289.543864 where: bonds (distance) C4'-P energy: -52.774 bonds (distance) P-C4' energy: -68.032 flat angles C4'-P-C4' energy: -64.119 flat angles P-C4'-P energy: -41.411 tors. eta vs tors. theta energy: -63.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -676.468254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.468254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.468254 (E_RNA) where: Base-Base interactions energy: -437.366 where: short stacking energy: -186.371 Base-Backbone interact. energy: -1.420 local terms energy: -237.681988 where: bonds (distance) C4'-P energy: -45.514 bonds (distance) P-C4' energy: -61.030 flat angles C4'-P-C4' energy: -62.745 flat angles P-C4'-P energy: -29.893 tors. eta vs tors. theta energy: -38.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -562.034305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.034305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.034305 (E_RNA) where: Base-Base interactions energy: -334.419 where: short stacking energy: -176.746 Base-Backbone interact. energy: 2.579 local terms energy: -230.193589 where: bonds (distance) C4'-P energy: -57.014 bonds (distance) P-C4' energy: -55.239 flat angles C4'-P-C4' energy: -53.061 flat angles P-C4'-P energy: -30.667 tors. eta vs tors. theta energy: -34.213 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: 5 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -597.250928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.250928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.250928 (E_RNA) where: Base-Base interactions energy: -366.445 where: short stacking energy: -155.458 Base-Backbone interact. energy: 0.677 local terms energy: -231.483403 where: bonds (distance) C4'-P energy: -48.313 bonds (distance) P-C4' energy: -59.713 flat angles C4'-P-C4' energy: -65.640 flat angles P-C4'-P energy: -31.922 tors. eta vs tors. theta energy: -25.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -260.714991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.714991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.714991 (E_RNA) where: Base-Base interactions energy: -93.288 where: short stacking energy: -76.979 Base-Backbone interact. energy: -2.213 local terms energy: -165.213275 where: bonds (distance) C4'-P energy: -56.853 bonds (distance) P-C4' energy: -52.347 flat angles C4'-P-C4' energy: -34.146 flat angles P-C4'-P energy: -28.865 tors. eta vs tors. theta energy: 6.998 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: 8 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1184.745586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.745586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.745586 (E_RNA) where: Base-Base interactions energy: -829.347 where: short stacking energy: -345.834 Base-Backbone interact. energy: -1.246 local terms energy: -354.153258 where: bonds (distance) C4'-P energy: -63.538 bonds (distance) P-C4' energy: -67.452 flat angles C4'-P-C4' energy: -72.333 flat angles P-C4'-P energy: -46.564 tors. eta vs tors. theta energy: -104.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1118.456147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.456147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.456147 (E_RNA) where: Base-Base interactions energy: -769.243 where: short stacking energy: -335.057 Base-Backbone interact. energy: 1.737 local terms energy: -350.950211 where: bonds (distance) C4'-P energy: -59.745 bonds (distance) P-C4' energy: -75.716 flat angles C4'-P-C4' energy: -72.142 flat angles P-C4'-P energy: -52.468 tors. eta vs tors. theta energy: -90.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1085.198222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.198222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.198222 (E_RNA) where: Base-Base interactions energy: -735.973 where: short stacking energy: -313.137 Base-Backbone interact. energy: 3.417 local terms energy: -352.642236 where: bonds (distance) C4'-P energy: -65.011 bonds (distance) P-C4' energy: -65.051 flat angles C4'-P-C4' energy: -73.823 flat angles P-C4'-P energy: -51.429 tors. eta vs tors. theta energy: -97.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -994.995531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.995531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.995531 (E_RNA) where: Base-Base interactions energy: -668.251 where: short stacking energy: -324.981 Base-Backbone interact. energy: -2.061 local terms energy: -324.683226 where: bonds (distance) C4'-P energy: -63.797 bonds (distance) P-C4' energy: -62.546 flat angles C4'-P-C4' energy: -70.185 flat angles P-C4'-P energy: -39.624 tors. eta vs tors. theta energy: -88.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -977.978142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.978142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.978142 (E_RNA) where: Base-Base interactions energy: -663.579 where: short stacking energy: -279.959 Base-Backbone interact. energy: -0.909 local terms energy: -313.490414 where: bonds (distance) C4'-P energy: -53.942 bonds (distance) P-C4' energy: -65.950 flat angles C4'-P-C4' energy: -65.065 flat angles P-C4'-P energy: -48.887 tors. eta vs tors. theta energy: -79.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -875.368281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.368281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.368281 (E_RNA) where: Base-Base interactions energy: -585.668 where: short stacking energy: -254.243 Base-Backbone interact. energy: 1.847 local terms energy: -291.547845 where: bonds (distance) C4'-P energy: -63.659 bonds (distance) P-C4' energy: -57.947 flat angles C4'-P-C4' energy: -57.141 flat angles P-C4'-P energy: -42.298 tors. eta vs tors. theta energy: -70.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -725.869949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.869949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.869949 (E_RNA) where: Base-Base interactions energy: -464.884 where: short stacking energy: -210.367 Base-Backbone interact. energy: 1.792 local terms energy: -262.778100 where: bonds (distance) C4'-P energy: -59.646 bonds (distance) P-C4' energy: -54.824 flat angles C4'-P-C4' energy: -59.421 flat angles P-C4'-P energy: -35.528 tors. eta vs tors. theta energy: -53.360 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: 2 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -616.063517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.063517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.063517 (E_RNA) where: Base-Base interactions energy: -373.058 where: short stacking energy: -199.896 Base-Backbone interact. energy: 0.152 local terms energy: -243.157835 where: bonds (distance) C4'-P energy: -48.797 bonds (distance) P-C4' energy: -62.863 flat angles C4'-P-C4' energy: -56.517 flat angles P-C4'-P energy: -37.931 tors. eta vs tors. theta energy: -37.049 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: 5 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -604.870397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.870397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.870397 (E_RNA) where: Base-Base interactions energy: -352.662 where: short stacking energy: -178.692 Base-Backbone interact. energy: -0.785 local terms energy: -251.424086 where: bonds (distance) C4'-P energy: -64.590 bonds (distance) P-C4' energy: -66.775 flat angles C4'-P-C4' energy: -57.346 flat angles P-C4'-P energy: -30.665 tors. eta vs tors. theta energy: -32.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -279.229603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.229603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.229603 (E_RNA) where: Base-Base interactions energy: -107.692 where: short stacking energy: -107.665 Base-Backbone interact. energy: -0.386 local terms energy: -171.152324 where: bonds (distance) C4'-P energy: -53.964 bonds (distance) P-C4' energy: -40.854 flat angles C4'-P-C4' energy: -41.841 flat angles P-C4'-P energy: -24.544 tors. eta vs tors. theta energy: -9.950 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: 8 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1172.247118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.247118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.247118 (E_RNA) where: Base-Base interactions energy: -830.701 where: short stacking energy: -346.869 Base-Backbone interact. energy: -0.249 local terms energy: -341.297238 where: bonds (distance) C4'-P energy: -55.032 bonds (distance) P-C4' energy: -64.403 flat angles C4'-P-C4' energy: -69.979 flat angles P-C4'-P energy: -47.188 tors. eta vs tors. theta energy: -104.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1110.161846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.161846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.161846 (E_RNA) where: Base-Base interactions energy: -764.526 where: short stacking energy: -320.089 Base-Backbone interact. energy: -0.831 local terms energy: -344.805215 where: bonds (distance) C4'-P energy: -59.579 bonds (distance) P-C4' energy: -67.393 flat angles C4'-P-C4' energy: -78.900 flat angles P-C4'-P energy: -46.407 tors. eta vs tors. theta energy: -92.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1095.494848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.494848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.494848 (E_RNA) where: Base-Base interactions energy: -756.554 where: short stacking energy: -308.444 Base-Backbone interact. energy: -0.265 local terms energy: -338.675333 where: bonds (distance) C4'-P energy: -69.679 bonds (distance) P-C4' energy: -59.465 flat angles C4'-P-C4' energy: -73.813 flat angles P-C4'-P energy: -51.620 tors. eta vs tors. theta energy: -84.098 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: 3 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1014.066561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.066561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.066561 (E_RNA) where: Base-Base interactions energy: -677.251 where: short stacking energy: -310.451 Base-Backbone interact. energy: -1.432 local terms energy: -335.383868 where: bonds (distance) C4'-P energy: -57.885 bonds (distance) P-C4' energy: -61.341 flat angles C4'-P-C4' energy: -72.960 flat angles P-C4'-P energy: -50.756 tors. eta vs tors. theta energy: -92.442 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: 9 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1000.343720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.343720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.343720 (E_RNA) where: Base-Base interactions energy: -674.416 where: short stacking energy: -285.039 Base-Backbone interact. energy: -1.326 local terms energy: -324.601797 where: bonds (distance) C4'-P energy: -57.844 bonds (distance) P-C4' energy: -68.595 flat angles C4'-P-C4' energy: -69.121 flat angles P-C4'-P energy: -43.866 tors. eta vs tors. theta energy: -85.176 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: 4 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -909.543953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.543953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.543953 (E_RNA) where: Base-Base interactions energy: -615.443 where: short stacking energy: -272.203 Base-Backbone interact. energy: 0.467 local terms energy: -294.568005 where: bonds (distance) C4'-P energy: -47.036 bonds (distance) P-C4' energy: -68.999 flat angles C4'-P-C4' energy: -63.800 flat angles P-C4'-P energy: -44.637 tors. eta vs tors. theta energy: -70.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -703.111538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.111538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.111538 (E_RNA) where: Base-Base interactions energy: -452.684 where: short stacking energy: -207.501 Base-Backbone interact. energy: -0.718 local terms energy: -249.709283 where: bonds (distance) C4'-P energy: -56.920 bonds (distance) P-C4' energy: -54.643 flat angles C4'-P-C4' energy: -56.144 flat angles P-C4'-P energy: -39.544 tors. eta vs tors. theta energy: -42.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -609.432208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.432208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.432208 (E_RNA) where: Base-Base interactions energy: -366.901 where: short stacking energy: -165.674 Base-Backbone interact. energy: -2.575 local terms energy: -239.956650 where: bonds (distance) C4'-P energy: -66.883 bonds (distance) P-C4' energy: -58.925 flat angles C4'-P-C4' energy: -49.907 flat angles P-C4'-P energy: -38.416 tors. eta vs tors. theta energy: -25.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -562.748805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.748805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.748805 (E_RNA) where: Base-Base interactions energy: -364.652 where: short stacking energy: -168.246 Base-Backbone interact. energy: -2.422 local terms energy: -195.674751 where: bonds (distance) C4'-P energy: -43.294 bonds (distance) P-C4' energy: -50.661 flat angles C4'-P-C4' energy: -41.738 flat angles P-C4'-P energy: -35.986 tors. eta vs tors. theta energy: -23.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -325.225476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.225476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.225476 (E_RNA) where: Base-Base interactions energy: -131.005 where: short stacking energy: -94.217 Base-Backbone interact. energy: -0.564 local terms energy: -193.656675 where: bonds (distance) C4'-P energy: -51.518 bonds (distance) P-C4' energy: -59.080 flat angles C4'-P-C4' energy: -52.058 flat angles P-C4'-P energy: -39.060 tors. eta vs tors. theta energy: 8.059 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: 8 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1178.202593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.202593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.202593 (E_RNA) where: Base-Base interactions energy: -833.826 where: short stacking energy: -352.656 Base-Backbone interact. energy: 0.782 local terms energy: -345.159189 where: bonds (distance) C4'-P energy: -67.326 bonds (distance) P-C4' energy: -66.309 flat angles C4'-P-C4' energy: -69.586 flat angles P-C4'-P energy: -42.762 tors. eta vs tors. theta energy: -99.177 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: -1088.095124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.095124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.095124 (E_RNA) where: Base-Base interactions energy: -761.926 where: short stacking energy: -321.118 Base-Backbone interact. energy: -0.197 local terms energy: -325.972932 where: bonds (distance) C4'-P energy: -58.668 bonds (distance) P-C4' energy: -54.521 flat angles C4'-P-C4' energy: -62.927 flat angles P-C4'-P energy: -50.537 tors. eta vs tors. theta energy: -99.320 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: 1 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1095.666542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.666542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.666542 (E_RNA) where: Base-Base interactions energy: -754.875 where: short stacking energy: -310.488 Base-Backbone interact. energy: -0.389 local terms energy: -340.402319 where: bonds (distance) C4'-P energy: -64.551 bonds (distance) P-C4' energy: -58.870 flat angles C4'-P-C4' energy: -71.892 flat angles P-C4'-P energy: -58.624 tors. eta vs tors. theta energy: -86.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -976.121947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.121947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.121947 (E_RNA) where: Base-Base interactions energy: -653.538 where: short stacking energy: -310.068 Base-Backbone interact. energy: -0.254 local terms energy: -322.330374 where: bonds (distance) C4'-P energy: -68.324 bonds (distance) P-C4' energy: -58.808 flat angles C4'-P-C4' energy: -68.593 flat angles P-C4'-P energy: -35.786 tors. eta vs tors. theta energy: -90.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -931.697158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.697158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.697158 (E_RNA) where: Base-Base interactions energy: -629.840 where: short stacking energy: -273.556 Base-Backbone interact. energy: 0.748 local terms energy: -302.605165 where: bonds (distance) C4'-P energy: -44.776 bonds (distance) P-C4' energy: -59.938 flat angles C4'-P-C4' energy: -70.653 flat angles P-C4'-P energy: -46.190 tors. eta vs tors. theta energy: -81.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -980.293077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.293077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.293077 (E_RNA) where: Base-Base interactions energy: -676.837 where: short stacking energy: -292.651 Base-Backbone interact. energy: 2.063 local terms energy: -305.519349 where: bonds (distance) C4'-P energy: -49.179 bonds (distance) P-C4' energy: -66.907 flat angles C4'-P-C4' energy: -64.447 flat angles P-C4'-P energy: -45.619 tors. eta vs tors. theta energy: -79.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -717.153104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.153104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.153104 (E_RNA) where: Base-Base interactions energy: -451.911 where: short stacking energy: -200.975 Base-Backbone interact. energy: 0.094 local terms energy: -265.336450 where: bonds (distance) C4'-P energy: -71.557 bonds (distance) P-C4' energy: -54.375 flat angles C4'-P-C4' energy: -62.510 flat angles P-C4'-P energy: -34.494 tors. eta vs tors. theta energy: -42.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -626.150254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.150254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.150254 (E_RNA) where: Base-Base interactions energy: -379.171 where: short stacking energy: -191.683 Base-Backbone interact. energy: -1.331 local terms energy: -245.647459 where: bonds (distance) C4'-P energy: -52.267 bonds (distance) P-C4' energy: -56.118 flat angles C4'-P-C4' energy: -61.936 flat angles P-C4'-P energy: -38.931 tors. eta vs tors. theta energy: -36.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -589.138910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.138910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.138910 (E_RNA) where: Base-Base interactions energy: -341.547 where: short stacking energy: -175.364 Base-Backbone interact. energy: -0.496 local terms energy: -247.095947 where: bonds (distance) C4'-P energy: -59.734 bonds (distance) P-C4' energy: -50.574 flat angles C4'-P-C4' energy: -63.188 flat angles P-C4'-P energy: -27.116 tors. eta vs tors. theta energy: -46.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -278.013744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.013744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.013744 (E_RNA) where: Base-Base interactions energy: -95.926 where: short stacking energy: -93.851 Base-Backbone interact. energy: 0.817 local terms energy: -182.904987 where: bonds (distance) C4'-P energy: -56.235 bonds (distance) P-C4' energy: -58.252 flat angles C4'-P-C4' energy: -44.632 flat angles P-C4'-P energy: -25.907 tors. eta vs tors. theta energy: 2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1181.134620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.134620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.134620 (E_RNA) where: Base-Base interactions energy: -825.852 where: short stacking energy: -335.846 Base-Backbone interact. energy: -1.015 local terms energy: -354.267655 where: bonds (distance) C4'-P energy: -66.065 bonds (distance) P-C4' energy: -72.396 flat angles C4'-P-C4' energy: -76.084 flat angles P-C4'-P energy: -40.507 tors. eta vs tors. theta energy: -99.215 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: 1 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1125.717655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.717655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.717655 (E_RNA) where: Base-Base interactions energy: -786.488 where: short stacking energy: -341.516 Base-Backbone interact. energy: -1.652 local terms energy: -337.577220 where: bonds (distance) C4'-P energy: -60.180 bonds (distance) P-C4' energy: -63.603 flat angles C4'-P-C4' energy: -75.556 flat angles P-C4'-P energy: -42.839 tors. eta vs tors. theta energy: -95.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1069.160656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.160656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.160656 (E_RNA) where: Base-Base interactions energy: -729.677 where: short stacking energy: -308.225 Base-Backbone interact. energy: -0.634 local terms energy: -338.850374 where: bonds (distance) C4'-P energy: -57.452 bonds (distance) P-C4' energy: -69.760 flat angles C4'-P-C4' energy: -75.166 flat angles P-C4'-P energy: -42.466 tors. eta vs tors. theta energy: -94.006 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: 375 Temperature: 1.050000 Total energy: -1010.879782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.879782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.879782 (E_RNA) where: Base-Base interactions energy: -679.663 where: short stacking energy: -324.213 Base-Backbone interact. energy: -0.383 local terms energy: -330.833401 where: bonds (distance) C4'-P energy: -60.374 bonds (distance) P-C4' energy: -56.715 flat angles C4'-P-C4' energy: -69.245 flat angles P-C4'-P energy: -48.288 tors. eta vs tors. theta energy: -96.212 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: 4 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -932.751671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.751671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.751671 (E_RNA) where: Base-Base interactions energy: -635.650 where: short stacking energy: -279.069 Base-Backbone interact. energy: -1.469 local terms energy: -295.632590 where: bonds (distance) C4'-P energy: -52.070 bonds (distance) P-C4' energy: -66.581 flat angles C4'-P-C4' energy: -66.486 flat angles P-C4'-P energy: -44.953 tors. eta vs tors. theta energy: -65.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -945.092917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.092917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.092917 (E_RNA) where: Base-Base interactions energy: -630.634 where: short stacking energy: -272.370 Base-Backbone interact. energy: -3.238 local terms energy: -311.220524 where: bonds (distance) C4'-P energy: -58.809 bonds (distance) P-C4' energy: -67.240 flat angles C4'-P-C4' energy: -63.363 flat angles P-C4'-P energy: -45.121 tors. eta vs tors. theta energy: -76.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -714.434555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.434555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.434555 (E_RNA) where: Base-Base interactions energy: -459.460 where: short stacking energy: -216.956 Base-Backbone interact. energy: -3.248 local terms energy: -251.727179 where: bonds (distance) C4'-P energy: -53.461 bonds (distance) P-C4' energy: -56.558 flat angles C4'-P-C4' energy: -57.682 flat angles P-C4'-P energy: -33.372 tors. eta vs tors. theta energy: -50.654 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: 8, replica: 2 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -577.421420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.421420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.421420 (E_RNA) where: Base-Base interactions energy: -347.314 where: short stacking energy: -181.055 Base-Backbone interact. energy: 0.408 local terms energy: -230.515646 where: bonds (distance) C4'-P energy: -42.786 bonds (distance) P-C4' energy: -59.249 flat angles C4'-P-C4' energy: -54.456 flat angles P-C4'-P energy: -43.150 tors. eta vs tors. theta energy: -30.875 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: 5 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -579.488439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.488439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.488439 (E_RNA) where: Base-Base interactions energy: -360.185 where: short stacking energy: -180.775 Base-Backbone interact. energy: -1.026 local terms energy: -218.276831 where: bonds (distance) C4'-P energy: -55.349 bonds (distance) P-C4' energy: -41.069 flat angles C4'-P-C4' energy: -47.796 flat angles P-C4'-P energy: -39.888 tors. eta vs tors. theta energy: -34.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -299.797806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.797806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.797806 (E_RNA) where: Base-Base interactions energy: -116.058 where: short stacking energy: -101.449 Base-Backbone interact. energy: -0.718 local terms energy: -183.020976 where: bonds (distance) C4'-P energy: -51.009 bonds (distance) P-C4' energy: -62.144 flat angles C4'-P-C4' energy: -54.039 flat angles P-C4'-P energy: -29.683 tors. eta vs tors. theta energy: 13.853 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: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1173.946310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.946310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.946310 (E_RNA) where: Base-Base interactions energy: -816.440 where: short stacking energy: -339.515 Base-Backbone interact. energy: -2.975 local terms energy: -354.531668 where: bonds (distance) C4'-P energy: -61.122 bonds (distance) P-C4' energy: -68.978 flat angles C4'-P-C4' energy: -74.708 flat angles P-C4'-P energy: -51.571 tors. eta vs tors. theta energy: -98.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1110.096521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.096521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.096521 (E_RNA) where: Base-Base interactions energy: -774.027 where: short stacking energy: -322.310 Base-Backbone interact. energy: -1.317 local terms energy: -334.752155 where: bonds (distance) C4'-P energy: -58.963 bonds (distance) P-C4' energy: -62.915 flat angles C4'-P-C4' energy: -71.980 flat angles P-C4'-P energy: -47.293 tors. eta vs tors. theta energy: -93.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1078.627205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.627205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.627205 (E_RNA) where: Base-Base interactions energy: -734.662 where: short stacking energy: -301.840 Base-Backbone interact. energy: -0.318 local terms energy: -343.646707 where: bonds (distance) C4'-P energy: -60.302 bonds (distance) P-C4' energy: -68.160 flat angles C4'-P-C4' energy: -75.126 flat angles P-C4'-P energy: -54.529 tors. eta vs tors. theta energy: -85.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1006.399085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.399085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.399085 (E_RNA) where: Base-Base interactions energy: -667.345 where: short stacking energy: -330.370 Base-Backbone interact. energy: -0.194 local terms energy: -338.860639 where: bonds (distance) C4'-P energy: -59.449 bonds (distance) P-C4' energy: -63.925 flat angles C4'-P-C4' energy: -67.335 flat angles P-C4'-P energy: -47.226 tors. eta vs tors. theta energy: -100.926 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: 9 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -959.229468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.229468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.229468 (E_RNA) where: Base-Base interactions energy: -652.942 where: short stacking energy: -279.846 Base-Backbone interact. energy: -1.366 local terms energy: -304.922129 where: bonds (distance) C4'-P energy: -60.471 bonds (distance) P-C4' energy: -52.412 flat angles C4'-P-C4' energy: -73.223 flat angles P-C4'-P energy: -40.634 tors. eta vs tors. theta energy: -78.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -910.624322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.624322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.624322 (E_RNA) where: Base-Base interactions energy: -634.029 where: short stacking energy: -261.537 Base-Backbone interact. energy: -2.568 local terms energy: -274.027863 where: bonds (distance) C4'-P energy: -43.408 bonds (distance) P-C4' energy: -55.150 flat angles C4'-P-C4' energy: -63.488 flat angles P-C4'-P energy: -43.822 tors. eta vs tors. theta energy: -68.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -682.852293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.852293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.852293 (E_RNA) where: Base-Base interactions energy: -412.493 where: short stacking energy: -194.605 Base-Backbone interact. energy: 0.613 local terms energy: -270.972106 where: bonds (distance) C4'-P energy: -56.947 bonds (distance) P-C4' energy: -59.482 flat angles C4'-P-C4' energy: -64.623 flat angles P-C4'-P energy: -46.411 tors. eta vs tors. theta energy: -43.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -601.098106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.098106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.098106 (E_RNA) where: Base-Base interactions energy: -355.019 where: short stacking energy: -170.162 Base-Backbone interact. energy: 3.591 local terms energy: -249.670510 where: bonds (distance) C4'-P energy: -58.129 bonds (distance) P-C4' energy: -60.278 flat angles C4'-P-C4' energy: -55.493 flat angles P-C4'-P energy: -36.957 tors. eta vs tors. theta energy: -38.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -523.169478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.169478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.169478 (E_RNA) where: Base-Base interactions energy: -317.070 where: short stacking energy: -169.370 Base-Backbone interact. energy: -3.117 local terms energy: -202.983075 where: bonds (distance) C4'-P energy: -42.982 bonds (distance) P-C4' energy: -54.545 flat angles C4'-P-C4' energy: -49.285 flat angles P-C4'-P energy: -30.145 tors. eta vs tors. theta energy: -26.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -268.882076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.882076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.882076 (E_RNA) where: Base-Base interactions energy: -111.752 where: short stacking energy: -82.465 Base-Backbone interact. energy: 0.665 local terms energy: -157.795165 where: bonds (distance) C4'-P energy: -53.113 bonds (distance) P-C4' energy: -57.063 flat angles C4'-P-C4' energy: -38.733 flat angles P-C4'-P energy: -16.867 tors. eta vs tors. theta energy: 7.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1197.406906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.406906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.406906 (E_RNA) where: Base-Base interactions energy: -834.061 where: short stacking energy: -359.713 Base-Backbone interact. energy: -3.450 local terms energy: -359.895407 where: bonds (distance) C4'-P energy: -59.748 bonds (distance) P-C4' energy: -65.790 flat angles C4'-P-C4' energy: -75.263 flat angles P-C4'-P energy: -50.278 tors. eta vs tors. theta energy: -108.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1102.301976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.301976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.301976 (E_RNA) where: Base-Base interactions energy: -744.650 where: short stacking energy: -325.759 Base-Backbone interact. energy: -1.342 local terms energy: -356.309911 where: bonds (distance) C4'-P energy: -71.005 bonds (distance) P-C4' energy: -62.631 flat angles C4'-P-C4' energy: -73.878 flat angles P-C4'-P energy: -52.431 tors. eta vs tors. theta energy: -96.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1093.756966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.756966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.756966 (E_RNA) where: Base-Base interactions energy: -756.632 where: short stacking energy: -323.298 Base-Backbone interact. energy: -0.451 local terms energy: -336.674049 where: bonds (distance) C4'-P energy: -64.194 bonds (distance) P-C4' energy: -57.808 flat angles C4'-P-C4' energy: -73.702 flat angles P-C4'-P energy: -56.355 tors. eta vs tors. theta energy: -84.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1004.844894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.844894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.844894 (E_RNA) where: Base-Base interactions energy: -670.572 where: short stacking energy: -340.814 Base-Backbone interact. energy: -0.917 local terms energy: -333.355698 where: bonds (distance) C4'-P energy: -56.714 bonds (distance) P-C4' energy: -56.342 flat angles C4'-P-C4' energy: -74.883 flat angles P-C4'-P energy: -42.007 tors. eta vs tors. theta energy: -103.410 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: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -975.498895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.498895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.498895 (E_RNA) where: Base-Base interactions energy: -651.867 where: short stacking energy: -264.675 Base-Backbone interact. energy: 0.258 local terms energy: -323.889973 where: bonds (distance) C4'-P energy: -58.533 bonds (distance) P-C4' energy: -75.743 flat angles C4'-P-C4' energy: -70.953 flat angles P-C4'-P energy: -42.476 tors. eta vs tors. theta energy: -76.185 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: 4 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -922.853855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.853855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.853855 (E_RNA) where: Base-Base interactions energy: -631.086 where: short stacking energy: -284.509 Base-Backbone interact. energy: 1.678 local terms energy: -293.446704 where: bonds (distance) C4'-P energy: -52.023 bonds (distance) P-C4' energy: -55.333 flat angles C4'-P-C4' energy: -69.797 flat angles P-C4'-P energy: -39.049 tors. eta vs tors. theta energy: -77.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -705.647397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.647397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.647397 (E_RNA) where: Base-Base interactions energy: -447.742 where: short stacking energy: -199.118 Base-Backbone interact. energy: 1.748 local terms energy: -259.654282 where: bonds (distance) C4'-P energy: -47.788 bonds (distance) P-C4' energy: -60.058 flat angles C4'-P-C4' energy: -64.711 flat angles P-C4'-P energy: -41.010 tors. eta vs tors. theta energy: -46.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -604.200318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.200318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.200318 (E_RNA) where: Base-Base interactions energy: -364.312 where: short stacking energy: -178.559 Base-Backbone interact. energy: -1.290 local terms energy: -238.598631 where: bonds (distance) C4'-P energy: -64.250 bonds (distance) P-C4' energy: -60.734 flat angles C4'-P-C4' energy: -43.493 flat angles P-C4'-P energy: -29.849 tors. eta vs tors. theta energy: -40.273 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: 5 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -579.835771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.835771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.835771 (E_RNA) where: Base-Base interactions energy: -364.051 where: short stacking energy: -158.194 Base-Backbone interact. energy: -1.603 local terms energy: -214.182407 where: bonds (distance) C4'-P energy: -41.831 bonds (distance) P-C4' energy: -58.172 flat angles C4'-P-C4' energy: -48.145 flat angles P-C4'-P energy: -36.455 tors. eta vs tors. theta energy: -29.580 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: 377 Temperature: 1.350000 Total energy: -287.795892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.795892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.795892 (E_RNA) where: Base-Base interactions energy: -97.837 where: short stacking energy: -64.417 Base-Backbone interact. energy: 0.832 local terms energy: -190.790462 where: bonds (distance) C4'-P energy: -65.493 bonds (distance) P-C4' energy: -61.643 flat angles C4'-P-C4' energy: -43.021 flat angles P-C4'-P energy: -26.881 tors. eta vs tors. theta energy: 6.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1211.578979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.578979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.578979 (E_RNA) where: Base-Base interactions energy: -837.557 where: short stacking energy: -353.216 Base-Backbone interact. energy: -2.835 local terms energy: -371.187163 where: bonds (distance) C4'-P energy: -56.340 bonds (distance) P-C4' energy: -72.470 flat angles C4'-P-C4' energy: -83.433 flat angles P-C4'-P energy: -57.865 tors. eta vs tors. theta energy: -101.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1105.457509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.457509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.457509 (E_RNA) where: Base-Base interactions energy: -775.672 where: short stacking energy: -331.375 Base-Backbone interact. energy: -0.282 local terms energy: -329.503491 where: bonds (distance) C4'-P energy: -62.165 bonds (distance) P-C4' energy: -61.414 flat angles C4'-P-C4' energy: -71.025 flat angles P-C4'-P energy: -47.239 tors. eta vs tors. theta energy: -87.661 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: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1111.903687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.903687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.903687 (E_RNA) where: Base-Base interactions energy: -767.980 where: short stacking energy: -326.177 Base-Backbone interact. energy: -1.294 local terms energy: -342.629722 where: bonds (distance) C4'-P energy: -69.633 bonds (distance) P-C4' energy: -65.282 flat angles C4'-P-C4' energy: -68.006 flat angles P-C4'-P energy: -44.005 tors. eta vs tors. theta energy: -95.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1003.612637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.612637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.612637 (E_RNA) where: Base-Base interactions energy: -675.194 where: short stacking energy: -313.167 Base-Backbone interact. energy: -0.884 local terms energy: -327.534565 where: bonds (distance) C4'-P energy: -67.042 bonds (distance) P-C4' energy: -59.806 flat angles C4'-P-C4' energy: -62.668 flat angles P-C4'-P energy: -39.247 tors. eta vs tors. theta energy: -98.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -951.700004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.700004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.700004 (E_RNA) where: Base-Base interactions energy: -625.998 where: short stacking energy: -289.118 Base-Backbone interact. energy: -4.158 local terms energy: -321.543599 where: bonds (distance) C4'-P energy: -55.526 bonds (distance) P-C4' energy: -64.971 flat angles C4'-P-C4' energy: -72.024 flat angles P-C4'-P energy: -49.811 tors. eta vs tors. theta energy: -79.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -966.612897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.612897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.612897 (E_RNA) where: Base-Base interactions energy: -693.481 where: short stacking energy: -290.330 Base-Backbone interact. energy: -0.678 local terms energy: -272.453542 where: bonds (distance) C4'-P energy: -41.841 bonds (distance) P-C4' energy: -50.973 flat angles C4'-P-C4' energy: -56.600 flat angles P-C4'-P energy: -37.539 tors. eta vs tors. theta energy: -85.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -682.558935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.558935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.558935 (E_RNA) where: Base-Base interactions energy: -439.074 where: short stacking energy: -183.865 Base-Backbone interact. energy: 1.247 local terms energy: -244.732895 where: bonds (distance) C4'-P energy: -46.828 bonds (distance) P-C4' energy: -72.378 flat angles C4'-P-C4' energy: -53.555 flat angles P-C4'-P energy: -24.575 tors. eta vs tors. theta energy: -47.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -585.990819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.990819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.990819 (E_RNA) where: Base-Base interactions energy: -370.566 where: short stacking energy: -195.098 Base-Backbone interact. energy: 4.646 local terms energy: -220.071133 where: bonds (distance) C4'-P energy: -46.017 bonds (distance) P-C4' energy: -50.497 flat angles C4'-P-C4' energy: -51.575 flat angles P-C4'-P energy: -29.682 tors. eta vs tors. theta energy: -42.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -604.400329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.400329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.400329 (E_RNA) where: Base-Base interactions energy: -368.874 where: short stacking energy: -175.389 Base-Backbone interact. energy: -0.944 local terms energy: -234.582531 where: bonds (distance) C4'-P energy: -56.622 bonds (distance) P-C4' energy: -52.036 flat angles C4'-P-C4' energy: -49.741 flat angles P-C4'-P energy: -36.345 tors. eta vs tors. theta energy: -39.838 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: 378 Temperature: 1.350000 Total energy: -287.928308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.928308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.928308 (E_RNA) where: Base-Base interactions energy: -120.454 where: short stacking energy: -96.644 Base-Backbone interact. energy: 1.842 local terms energy: -169.316356 where: bonds (distance) C4'-P energy: -46.066 bonds (distance) P-C4' energy: -49.557 flat angles C4'-P-C4' energy: -57.296 flat angles P-C4'-P energy: -23.617 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: 1, replica: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1203.749465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.749465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.749465 (E_RNA) where: Base-Base interactions energy: -844.035 where: short stacking energy: -345.151 Base-Backbone interact. energy: -2.850 local terms energy: -356.864832 where: bonds (distance) C4'-P energy: -64.978 bonds (distance) P-C4' energy: -65.011 flat angles C4'-P-C4' energy: -72.632 flat angles P-C4'-P energy: -53.523 tors. eta vs tors. theta energy: -100.720 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: 10 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1122.269770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.269770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.269770 (E_RNA) where: Base-Base interactions energy: -781.657 where: short stacking energy: -305.660 Base-Backbone interact. energy: -0.731 local terms energy: -339.882118 where: bonds (distance) C4'-P energy: -52.072 bonds (distance) P-C4' energy: -68.008 flat angles C4'-P-C4' energy: -75.056 flat angles P-C4'-P energy: -51.206 tors. eta vs tors. theta energy: -93.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1095.057817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.057817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.057817 (E_RNA) where: Base-Base interactions energy: -770.938 where: short stacking energy: -311.226 Base-Backbone interact. energy: -1.561 local terms energy: -322.559659 where: bonds (distance) C4'-P energy: -57.281 bonds (distance) P-C4' energy: -70.284 flat angles C4'-P-C4' energy: -66.839 flat angles P-C4'-P energy: -37.214 tors. eta vs tors. theta energy: -90.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1013.564692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.564692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.564692 (E_RNA) where: Base-Base interactions energy: -689.238 where: short stacking energy: -302.507 Base-Backbone interact. energy: -0.811 local terms energy: -323.515533 where: bonds (distance) C4'-P energy: -57.974 bonds (distance) P-C4' energy: -66.078 flat angles C4'-P-C4' energy: -69.781 flat angles P-C4'-P energy: -38.898 tors. eta vs tors. theta energy: -90.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -932.325179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.325179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.325179 (E_RNA) where: Base-Base interactions energy: -617.146 where: short stacking energy: -269.407 Base-Backbone interact. energy: -1.782 local terms energy: -313.396753 where: bonds (distance) C4'-P energy: -61.084 bonds (distance) P-C4' energy: -57.198 flat angles C4'-P-C4' energy: -70.119 flat angles P-C4'-P energy: -47.885 tors. eta vs tors. theta energy: -77.111 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: 6, replica: 9 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -965.352146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.352146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.352146 (E_RNA) where: Base-Base interactions energy: -649.318 where: short stacking energy: -260.051 Base-Backbone interact. energy: -0.882 local terms energy: -315.151678 where: bonds (distance) C4'-P energy: -56.669 bonds (distance) P-C4' energy: -62.087 flat angles C4'-P-C4' energy: -66.843 flat angles P-C4'-P energy: -45.703 tors. eta vs tors. theta energy: -83.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -723.794185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.794185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.794185 (E_RNA) where: Base-Base interactions energy: -471.892 where: short stacking energy: -203.188 Base-Backbone interact. energy: -0.037 local terms energy: -251.865564 where: bonds (distance) C4'-P energy: -58.679 bonds (distance) P-C4' energy: -57.802 flat angles C4'-P-C4' energy: -63.139 flat angles P-C4'-P energy: -29.910 tors. eta vs tors. theta energy: -42.334 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: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -612.718598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.718598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.718598 (E_RNA) where: Base-Base interactions energy: -363.763 where: short stacking energy: -168.979 Base-Backbone interact. energy: -1.418 local terms energy: -247.538316 where: bonds (distance) C4'-P energy: -55.586 bonds (distance) P-C4' energy: -58.598 flat angles C4'-P-C4' energy: -55.484 flat angles P-C4'-P energy: -36.776 tors. eta vs tors. theta energy: -41.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -615.143338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.143338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.143338 (E_RNA) where: Base-Base interactions energy: -381.760 where: short stacking energy: -184.172 Base-Backbone interact. energy: 3.356 local terms energy: -236.738940 where: bonds (distance) C4'-P energy: -62.028 bonds (distance) P-C4' energy: -61.488 flat angles C4'-P-C4' energy: -44.948 flat angles P-C4'-P energy: -32.462 tors. eta vs tors. theta energy: -35.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -298.827666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.827666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.827666 (E_RNA) where: Base-Base interactions energy: -129.152 where: short stacking energy: -82.732 Base-Backbone interact. energy: 4.950 local terms energy: -174.626190 where: bonds (distance) C4'-P energy: -48.591 bonds (distance) P-C4' energy: -58.422 flat angles C4'-P-C4' energy: -57.190 flat angles P-C4'-P energy: -25.171 tors. eta vs tors. theta energy: 14.747 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: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1204.703336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.703336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.703336 (E_RNA) where: Base-Base interactions energy: -840.587 where: short stacking energy: -364.242 Base-Backbone interact. energy: -1.763 local terms energy: -362.353337 where: bonds (distance) C4'-P energy: -70.467 bonds (distance) P-C4' energy: -61.011 flat angles C4'-P-C4' energy: -72.672 flat angles P-C4'-P energy: -59.513 tors. eta vs tors. theta energy: -98.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1119.707295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.707295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.707295 (E_RNA) where: Base-Base interactions energy: -790.026 where: short stacking energy: -306.262 Base-Backbone interact. energy: -1.787 local terms energy: -327.894427 where: bonds (distance) C4'-P energy: -58.905 bonds (distance) P-C4' energy: -67.258 flat angles C4'-P-C4' energy: -68.530 flat angles P-C4'-P energy: -51.209 tors. eta vs tors. theta energy: -81.993 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: 380 Temperature: 1.000000 Total energy: -1103.328741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.328741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.328741 (E_RNA) where: Base-Base interactions energy: -765.985 where: short stacking energy: -330.955 Base-Backbone interact. energy: 0.432 local terms energy: -337.775794 where: bonds (distance) C4'-P energy: -57.163 bonds (distance) P-C4' energy: -66.290 flat angles C4'-P-C4' energy: -67.222 flat angles P-C4'-P energy: -57.615 tors. eta vs tors. theta energy: -89.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1000.389574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.389574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.389574 (E_RNA) where: Base-Base interactions energy: -690.617 where: short stacking energy: -306.903 Base-Backbone interact. energy: 1.825 local terms energy: -311.597420 where: bonds (distance) C4'-P energy: -46.983 bonds (distance) P-C4' energy: -60.724 flat angles C4'-P-C4' energy: -70.387 flat angles P-C4'-P energy: -45.519 tors. eta vs tors. theta energy: -87.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -986.501153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.501153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.501153 (E_RNA) where: Base-Base interactions energy: -679.514 where: short stacking energy: -280.213 Base-Backbone interact. energy: 3.222 local terms energy: -310.209562 where: bonds (distance) C4'-P energy: -48.706 bonds (distance) P-C4' energy: -65.760 flat angles C4'-P-C4' energy: -68.581 flat angles P-C4'-P energy: -49.724 tors. eta vs tors. theta energy: -77.439 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: 4 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -895.577543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.577543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.577543 (E_RNA) where: Base-Base interactions energy: -614.917 where: short stacking energy: -276.242 Base-Backbone interact. energy: -0.437 local terms energy: -280.223620 where: bonds (distance) C4'-P energy: -54.420 bonds (distance) P-C4' energy: -67.145 flat angles C4'-P-C4' energy: -53.198 flat angles P-C4'-P energy: -36.552 tors. eta vs tors. theta energy: -68.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -672.958783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.958783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.958783 (E_RNA) where: Base-Base interactions energy: -429.001 where: short stacking energy: -193.507 Base-Backbone interact. energy: -1.404 local terms energy: -242.553141 where: bonds (distance) C4'-P energy: -47.427 bonds (distance) P-C4' energy: -54.810 flat angles C4'-P-C4' energy: -57.626 flat angles P-C4'-P energy: -37.344 tors. eta vs tors. theta energy: -45.345 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: 8, replica: 5 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -618.875335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.875335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.875335 (E_RNA) where: Base-Base interactions energy: -388.549 where: short stacking energy: -193.898 Base-Backbone interact. energy: 3.090 local terms energy: -233.416499 where: bonds (distance) C4'-P energy: -63.029 bonds (distance) P-C4' energy: -46.685 flat angles C4'-P-C4' energy: -49.483 flat angles P-C4'-P energy: -38.778 tors. eta vs tors. theta energy: -35.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -602.833844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.833844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.833844 (E_RNA) where: Base-Base interactions energy: -379.509 where: short stacking energy: -167.844 Base-Backbone interact. energy: -1.175 local terms energy: -222.149526 where: bonds (distance) C4'-P energy: -54.131 bonds (distance) P-C4' energy: -56.839 flat angles C4'-P-C4' energy: -50.690 flat angles P-C4'-P energy: -27.616 tors. eta vs tors. theta energy: -32.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -320.779178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.779178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.779178 (E_RNA) where: Base-Base interactions energy: -146.487 where: short stacking energy: -96.506 Base-Backbone interact. energy: -1.564 local terms energy: -172.727533 where: bonds (distance) C4'-P energy: -34.572 bonds (distance) P-C4' energy: -64.606 flat angles C4'-P-C4' energy: -40.298 flat angles P-C4'-P energy: -37.438 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: 1, replica: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1211.078620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.078620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.078620 (E_RNA) where: Base-Base interactions energy: -845.084 where: short stacking energy: -346.075 Base-Backbone interact. energy: -1.916 local terms energy: -364.079115 where: bonds (distance) C4'-P energy: -61.594 bonds (distance) P-C4' energy: -65.709 flat angles C4'-P-C4' energy: -74.077 flat angles P-C4'-P energy: -59.188 tors. eta vs tors. theta energy: -103.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1131.398353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.398353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.398353 (E_RNA) where: Base-Base interactions energy: -805.792 where: short stacking energy: -325.528 Base-Backbone interact. energy: -1.997 local terms energy: -323.609075 where: bonds (distance) C4'-P energy: -62.468 bonds (distance) P-C4' energy: -56.278 flat angles C4'-P-C4' energy: -58.166 flat angles P-C4'-P energy: -52.360 tors. eta vs tors. theta energy: -94.337 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: 1 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1095.795618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.795618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.795618 (E_RNA) where: Base-Base interactions energy: -774.063 where: short stacking energy: -318.201 Base-Backbone interact. energy: -0.844 local terms energy: -320.887804 where: bonds (distance) C4'-P energy: -69.623 bonds (distance) P-C4' energy: -60.566 flat angles C4'-P-C4' energy: -66.674 flat angles P-C4'-P energy: -41.585 tors. eta vs tors. theta energy: -82.440 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: 381 Temperature: 1.050000 Total energy: -975.142782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.142782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.142782 (E_RNA) where: Base-Base interactions energy: -654.718 where: short stacking energy: -288.528 Base-Backbone interact. energy: -0.228 local terms energy: -320.196464 where: bonds (distance) C4'-P energy: -57.090 bonds (distance) P-C4' energy: -67.340 flat angles C4'-P-C4' energy: -66.475 flat angles P-C4'-P energy: -50.121 tors. eta vs tors. theta energy: -79.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -987.400942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.400942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.400942 (E_RNA) where: Base-Base interactions energy: -686.683 where: short stacking energy: -278.867 Base-Backbone interact. energy: 2.937 local terms energy: -303.654973 where: bonds (distance) C4'-P energy: -58.905 bonds (distance) P-C4' energy: -59.154 flat angles C4'-P-C4' energy: -65.482 flat angles P-C4'-P energy: -43.876 tors. eta vs tors. theta energy: -76.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -911.737691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.737691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.737691 (E_RNA) where: Base-Base interactions energy: -606.821 where: short stacking energy: -252.519 Base-Backbone interact. energy: 0.239 local terms energy: -305.155008 where: bonds (distance) C4'-P energy: -49.100 bonds (distance) P-C4' energy: -63.228 flat angles C4'-P-C4' energy: -63.870 flat angles P-C4'-P energy: -49.597 tors. eta vs tors. theta energy: -79.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -698.844509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.844509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.844509 (E_RNA) where: Base-Base interactions energy: -444.605 where: short stacking energy: -214.950 Base-Backbone interact. energy: 0.956 local terms energy: -255.194548 where: bonds (distance) C4'-P energy: -49.202 bonds (distance) P-C4' energy: -58.977 flat angles C4'-P-C4' energy: -62.554 flat angles P-C4'-P energy: -34.611 tors. eta vs tors. theta energy: -49.850 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: 2 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -633.504173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.504173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.504173 (E_RNA) where: Base-Base interactions energy: -420.308 where: short stacking energy: -166.664 Base-Backbone interact. energy: -0.121 local terms energy: -213.074414 where: bonds (distance) C4'-P energy: -54.362 bonds (distance) P-C4' energy: -44.705 flat angles C4'-P-C4' energy: -44.833 flat angles P-C4'-P energy: -39.553 tors. eta vs tors. theta energy: -29.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -553.549054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.549054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.549054 (E_RNA) where: Base-Base interactions energy: -340.695 where: short stacking energy: -159.106 Base-Backbone interact. energy: 1.432 local terms energy: -214.285531 where: bonds (distance) C4'-P energy: -45.365 bonds (distance) P-C4' energy: -51.590 flat angles C4'-P-C4' energy: -58.745 flat angles P-C4'-P energy: -34.911 tors. eta vs tors. theta energy: -23.676 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: 7 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -328.320942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.320942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.320942 (E_RNA) where: Base-Base interactions energy: -152.998 where: short stacking energy: -98.091 Base-Backbone interact. energy: -0.166 local terms energy: -175.156207 where: bonds (distance) C4'-P energy: -44.660 bonds (distance) P-C4' energy: -64.135 flat angles C4'-P-C4' energy: -45.725 flat angles P-C4'-P energy: -19.734 tors. eta vs tors. theta energy: -0.902 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: 1, replica: 10 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1147.068470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.068470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.068470 (E_RNA) where: Base-Base interactions energy: -785.837 where: short stacking energy: -322.188 Base-Backbone interact. energy: -2.421 local terms energy: -358.810199 where: bonds (distance) C4'-P energy: -66.204 bonds (distance) P-C4' energy: -73.500 flat angles C4'-P-C4' energy: -78.210 flat angles P-C4'-P energy: -47.015 tors. eta vs tors. theta energy: -93.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1178.188936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.188936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.188936 (E_RNA) where: Base-Base interactions energy: -832.600 where: short stacking energy: -340.728 Base-Backbone interact. energy: -1.212 local terms energy: -344.377822 where: bonds (distance) C4'-P energy: -70.099 bonds (distance) P-C4' energy: -56.970 flat angles C4'-P-C4' energy: -70.404 flat angles P-C4'-P energy: -46.283 tors. eta vs tors. theta energy: -100.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1099.821921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.821921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.821921 (E_RNA) where: Base-Base interactions energy: -777.239 where: short stacking energy: -314.729 Base-Backbone interact. energy: 1.179 local terms energy: -323.761694 where: bonds (distance) C4'-P energy: -61.756 bonds (distance) P-C4' energy: -67.707 flat angles C4'-P-C4' energy: -68.486 flat angles P-C4'-P energy: -32.909 tors. eta vs tors. theta energy: -92.904 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: 3 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1026.732657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.732657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.732657 (E_RNA) where: Base-Base interactions energy: -695.952 where: short stacking energy: -303.008 Base-Backbone interact. energy: 3.012 local terms energy: -333.792386 where: bonds (distance) C4'-P energy: -62.528 bonds (distance) P-C4' energy: -54.670 flat angles C4'-P-C4' energy: -74.118 flat angles P-C4'-P energy: -52.743 tors. eta vs tors. theta energy: -89.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -991.887589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.887589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.887589 (E_RNA) where: Base-Base interactions energy: -682.473 where: short stacking energy: -291.568 Base-Backbone interact. energy: -0.812 local terms energy: -308.603050 where: bonds (distance) C4'-P energy: -58.040 bonds (distance) P-C4' energy: -63.292 flat angles C4'-P-C4' energy: -56.747 flat angles P-C4'-P energy: -46.796 tors. eta vs tors. theta energy: -83.728 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: 4 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -918.731214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.731214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.731214 (E_RNA) where: Base-Base interactions energy: -639.599 where: short stacking energy: -262.884 Base-Backbone interact. energy: -2.389 local terms energy: -276.743038 where: bonds (distance) C4'-P energy: -53.354 bonds (distance) P-C4' energy: -60.088 flat angles C4'-P-C4' energy: -58.334 flat angles P-C4'-P energy: -32.594 tors. eta vs tors. theta energy: -72.373 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: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -687.633582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.633582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.633582 (E_RNA) where: Base-Base interactions energy: -431.788 where: short stacking energy: -204.827 Base-Backbone interact. energy: -0.544 local terms energy: -255.302227 where: bonds (distance) C4'-P energy: -60.638 bonds (distance) P-C4' energy: -57.029 flat angles C4'-P-C4' energy: -53.970 flat angles P-C4'-P energy: -41.209 tors. eta vs tors. theta energy: -42.456 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: 2 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -639.205115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.205115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.205115 (E_RNA) where: Base-Base interactions energy: -381.556 where: short stacking energy: -205.830 Base-Backbone interact. energy: 2.643 local terms energy: -260.292246 where: bonds (distance) C4'-P energy: -63.529 bonds (distance) P-C4' energy: -54.934 flat angles C4'-P-C4' energy: -48.612 flat angles P-C4'-P energy: -38.427 tors. eta vs tors. theta energy: -54.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -540.683249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.683249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.683249 (E_RNA) where: Base-Base interactions energy: -354.405 where: short stacking energy: -173.165 Base-Backbone interact. energy: 4.165 local terms energy: -190.443388 where: bonds (distance) C4'-P energy: -30.478 bonds (distance) P-C4' energy: -51.527 flat angles C4'-P-C4' energy: -47.643 flat angles P-C4'-P energy: -41.461 tors. eta vs tors. theta energy: -19.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -403.829557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.829557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.829557 (E_RNA) where: Base-Base interactions energy: -242.071 where: short stacking energy: -144.163 Base-Backbone interact. energy: -0.041 local terms energy: -161.718086 where: bonds (distance) C4'-P energy: -34.852 bonds (distance) P-C4' energy: -41.475 flat angles C4'-P-C4' energy: -47.971 flat angles P-C4'-P energy: -23.918 tors. eta vs tors. theta energy: -13.501 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: 10 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1143.618245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.618245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.618245 (E_RNA) where: Base-Base interactions energy: -785.845 where: short stacking energy: -316.594 Base-Backbone interact. energy: -1.953 local terms energy: -355.819731 where: bonds (distance) C4'-P energy: -67.372 bonds (distance) P-C4' energy: -69.440 flat angles C4'-P-C4' energy: -74.997 flat angles P-C4'-P energy: -46.116 tors. eta vs tors. theta energy: -97.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1144.955859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.955859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.955859 (E_RNA) where: Base-Base interactions energy: -803.621 where: short stacking energy: -332.095 Base-Backbone interact. energy: 0.764 local terms energy: -342.098758 where: bonds (distance) C4'-P energy: -65.229 bonds (distance) P-C4' energy: -62.444 flat angles C4'-P-C4' energy: -74.471 flat angles P-C4'-P energy: -42.645 tors. eta vs tors. theta energy: -97.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1091.119626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.119626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.119626 (E_RNA) where: Base-Base interactions energy: -737.703 where: short stacking energy: -287.945 Base-Backbone interact. energy: -0.302 local terms energy: -353.114389 where: bonds (distance) C4'-P energy: -71.312 bonds (distance) P-C4' energy: -68.279 flat angles C4'-P-C4' energy: -62.538 flat angles P-C4'-P energy: -59.464 tors. eta vs tors. theta energy: -91.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1053.789032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.789032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.789032 (E_RNA) where: Base-Base interactions energy: -715.372 where: short stacking energy: -321.462 Base-Backbone interact. energy: -0.902 local terms energy: -337.514302 where: bonds (distance) C4'-P energy: -57.811 bonds (distance) P-C4' energy: -56.939 flat angles C4'-P-C4' energy: -70.128 flat angles P-C4'-P energy: -49.142 tors. eta vs tors. theta energy: -103.495 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: 5, replica: 9 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -993.481645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.481645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.481645 (E_RNA) where: Base-Base interactions energy: -694.411 where: short stacking energy: -288.329 Base-Backbone interact. energy: -1.535 local terms energy: -297.535564 where: bonds (distance) C4'-P energy: -55.656 bonds (distance) P-C4' energy: -56.741 flat angles C4'-P-C4' energy: -63.954 flat angles P-C4'-P energy: -41.940 tors. eta vs tors. theta energy: -79.244 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: 4 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -922.063127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.063127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.063127 (E_RNA) where: Base-Base interactions energy: -626.374 where: short stacking energy: -272.992 Base-Backbone interact. energy: -2.303 local terms energy: -293.386110 where: bonds (distance) C4'-P energy: -62.023 bonds (distance) P-C4' energy: -60.663 flat angles C4'-P-C4' energy: -59.859 flat angles P-C4'-P energy: -37.455 tors. eta vs tors. theta energy: -73.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -680.305052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.305052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.305052 (E_RNA) where: Base-Base interactions energy: -437.767 where: short stacking energy: -206.882 Base-Backbone interact. energy: -1.523 local terms energy: -241.015164 where: bonds (distance) C4'-P energy: -51.634 bonds (distance) P-C4' energy: -57.366 flat angles C4'-P-C4' energy: -55.837 flat angles P-C4'-P energy: -35.677 tors. eta vs tors. theta energy: -40.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -622.294440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.294440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.294440 (E_RNA) where: Base-Base interactions energy: -385.312 where: short stacking energy: -178.969 Base-Backbone interact. energy: -1.093 local terms energy: -235.889945 where: bonds (distance) C4'-P energy: -59.234 bonds (distance) P-C4' energy: -54.093 flat angles C4'-P-C4' energy: -59.279 flat angles P-C4'-P energy: -31.161 tors. eta vs tors. theta energy: -32.124 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: 9, replica: 5 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -542.937420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.937420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.937420 (E_RNA) where: Base-Base interactions energy: -333.446 where: short stacking energy: -151.673 Base-Backbone interact. energy: -2.521 local terms energy: -206.969927 where: bonds (distance) C4'-P energy: -51.112 bonds (distance) P-C4' energy: -64.104 flat angles C4'-P-C4' energy: -58.778 flat angles P-C4'-P energy: -24.005 tors. eta vs tors. theta energy: -8.970 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: 10, replica: 7 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -358.344707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.344707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.344707 (E_RNA) where: Base-Base interactions energy: -170.298 where: short stacking energy: -105.758 Base-Backbone interact. energy: 2.097 local terms energy: -190.143805 where: bonds (distance) C4'-P energy: -55.263 bonds (distance) P-C4' energy: -64.367 flat angles C4'-P-C4' energy: -43.461 flat angles P-C4'-P energy: -30.174 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: 10 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1131.802499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.802499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.802499 (E_RNA) where: Base-Base interactions energy: -775.866 where: short stacking energy: -329.796 Base-Backbone interact. energy: -2.454 local terms energy: -353.482546 where: bonds (distance) C4'-P energy: -59.177 bonds (distance) P-C4' energy: -71.301 flat angles C4'-P-C4' energy: -79.391 flat angles P-C4'-P energy: -47.447 tors. eta vs tors. theta energy: -96.166 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: 8 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1176.452766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.452766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.452766 (E_RNA) where: Base-Base interactions energy: -820.072 where: short stacking energy: -336.947 Base-Backbone interact. energy: -0.641 local terms energy: -355.739464 where: bonds (distance) C4'-P energy: -59.562 bonds (distance) P-C4' energy: -66.527 flat angles C4'-P-C4' energy: -77.211 flat angles P-C4'-P energy: -53.968 tors. eta vs tors. theta energy: -98.471 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: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1082.092128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.092128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.092128 (E_RNA) where: Base-Base interactions energy: -758.003 where: short stacking energy: -302.845 Base-Backbone interact. energy: -1.899 local terms energy: -322.189580 where: bonds (distance) C4'-P energy: -70.298 bonds (distance) P-C4' energy: -58.016 flat angles C4'-P-C4' energy: -63.523 flat angles P-C4'-P energy: -49.489 tors. eta vs tors. theta energy: -80.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1052.883062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.883062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.883062 (E_RNA) where: Base-Base interactions energy: -744.257 where: short stacking energy: -333.285 Base-Backbone interact. energy: -1.403 local terms energy: -307.223489 where: bonds (distance) C4'-P energy: -54.954 bonds (distance) P-C4' energy: -46.339 flat angles C4'-P-C4' energy: -66.291 flat angles P-C4'-P energy: -46.863 tors. eta vs tors. theta energy: -92.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -995.194154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.194154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.194154 (E_RNA) where: Base-Base interactions energy: -674.535 where: short stacking energy: -286.453 Base-Backbone interact. energy: -0.213 local terms energy: -320.446136 where: bonds (distance) C4'-P energy: -66.746 bonds (distance) P-C4' energy: -54.936 flat angles C4'-P-C4' energy: -72.608 flat angles P-C4'-P energy: -47.291 tors. eta vs tors. theta energy: -78.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -870.021295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.021295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.021295 (E_RNA) where: Base-Base interactions energy: -610.720 where: short stacking energy: -270.928 Base-Backbone interact. energy: -0.523 local terms energy: -258.778668 where: bonds (distance) C4'-P energy: -42.134 bonds (distance) P-C4' energy: -50.628 flat angles C4'-P-C4' energy: -59.799 flat angles P-C4'-P energy: -41.129 tors. eta vs tors. theta energy: -65.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -667.521239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.521239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.521239 (E_RNA) where: Base-Base interactions energy: -413.765 where: short stacking energy: -183.996 Base-Backbone interact. energy: 0.424 local terms energy: -254.179871 where: bonds (distance) C4'-P energy: -52.484 bonds (distance) P-C4' energy: -56.278 flat angles C4'-P-C4' energy: -60.738 flat angles P-C4'-P energy: -50.067 tors. eta vs tors. theta energy: -34.613 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: 2 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -661.493639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.493639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.493639 (E_RNA) where: Base-Base interactions energy: -436.248 where: short stacking energy: -201.082 Base-Backbone interact. energy: -1.326 local terms energy: -223.918979 where: bonds (distance) C4'-P energy: -44.128 bonds (distance) P-C4' energy: -47.140 flat angles C4'-P-C4' energy: -58.055 flat angles P-C4'-P energy: -33.812 tors. eta vs tors. theta energy: -40.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -527.871724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.871724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.871724 (E_RNA) where: Base-Base interactions energy: -300.614 where: short stacking energy: -134.150 Base-Backbone interact. energy: -1.798 local terms energy: -225.460029 where: bonds (distance) C4'-P energy: -63.002 bonds (distance) P-C4' energy: -57.296 flat angles C4'-P-C4' energy: -53.615 flat angles P-C4'-P energy: -30.220 tors. eta vs tors. theta energy: -21.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -360.185481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.185481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.185481 (E_RNA) where: Base-Base interactions energy: -179.446 where: short stacking energy: -107.862 Base-Backbone interact. energy: -0.637 local terms energy: -180.102320 where: bonds (distance) C4'-P energy: -44.963 bonds (distance) P-C4' energy: -56.364 flat angles C4'-P-C4' energy: -48.891 flat angles P-C4'-P energy: -23.445 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: 1, replica: 10 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1163.978673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.978673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.978673 (E_RNA) where: Base-Base interactions energy: -795.713 where: short stacking energy: -336.383 Base-Backbone interact. energy: 0.080 local terms energy: -368.345486 where: bonds (distance) C4'-P energy: -69.089 bonds (distance) P-C4' energy: -76.195 flat angles C4'-P-C4' energy: -77.423 flat angles P-C4'-P energy: -44.732 tors. eta vs tors. theta energy: -100.905 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: 2, replica: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1181.279983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.279983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.279983 (E_RNA) where: Base-Base interactions energy: -823.420 where: short stacking energy: -328.198 Base-Backbone interact. energy: -4.354 local terms energy: -353.505269 where: bonds (distance) C4'-P energy: -68.534 bonds (distance) P-C4' energy: -64.774 flat angles C4'-P-C4' energy: -71.127 flat angles P-C4'-P energy: -51.679 tors. eta vs tors. theta energy: -97.391 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: 385 Temperature: 1.000000 Total energy: -1096.281001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.281001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.281001 (E_RNA) where: Base-Base interactions energy: -765.014 where: short stacking energy: -307.456 Base-Backbone interact. energy: -2.762 local terms energy: -328.504094 where: bonds (distance) C4'-P energy: -63.984 bonds (distance) P-C4' energy: -64.921 flat angles C4'-P-C4' energy: -64.836 flat angles P-C4'-P energy: -50.644 tors. eta vs tors. theta energy: -84.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1058.907573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.907573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.907573 (E_RNA) where: Base-Base interactions energy: -743.999 where: short stacking energy: -344.442 Base-Backbone interact. energy: 1.338 local terms energy: -316.247310 where: bonds (distance) C4'-P energy: -47.696 bonds (distance) P-C4' energy: -64.161 flat angles C4'-P-C4' energy: -55.969 flat angles P-C4'-P energy: -49.021 tors. eta vs tors. theta energy: -99.400 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: 9 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -986.918708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.918708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.918708 (E_RNA) where: Base-Base interactions energy: -681.401 where: short stacking energy: -293.999 Base-Backbone interact. energy: -0.374 local terms energy: -305.144286 where: bonds (distance) C4'-P energy: -62.702 bonds (distance) P-C4' energy: -55.293 flat angles C4'-P-C4' energy: -58.157 flat angles P-C4'-P energy: -53.890 tors. eta vs tors. theta energy: -75.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -913.652273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.652273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.652273 (E_RNA) where: Base-Base interactions energy: -652.793 where: short stacking energy: -270.789 Base-Backbone interact. energy: 0.183 local terms energy: -261.042011 where: bonds (distance) C4'-P energy: -49.076 bonds (distance) P-C4' energy: -45.174 flat angles C4'-P-C4' energy: -61.755 flat angles P-C4'-P energy: -35.883 tors. eta vs tors. theta energy: -69.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -713.094708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.094708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.094708 (E_RNA) where: Base-Base interactions energy: -476.187 where: short stacking energy: -203.870 Base-Backbone interact. energy: -1.293 local terms energy: -235.615541 where: bonds (distance) C4'-P energy: -45.002 bonds (distance) P-C4' energy: -49.725 flat angles C4'-P-C4' energy: -59.895 flat angles P-C4'-P energy: -36.430 tors. eta vs tors. theta energy: -44.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -645.676401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.676401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.676401 (E_RNA) where: Base-Base interactions energy: -414.628 where: short stacking energy: -189.081 Base-Backbone interact. energy: 1.110 local terms energy: -232.159147 where: bonds (distance) C4'-P energy: -40.014 bonds (distance) P-C4' energy: -57.249 flat angles C4'-P-C4' energy: -57.027 flat angles P-C4'-P energy: -36.554 tors. eta vs tors. theta energy: -41.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -542.800887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.800887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.800887 (E_RNA) where: Base-Base interactions energy: -332.880 where: short stacking energy: -168.034 Base-Backbone interact. energy: -0.216 local terms energy: -209.704313 where: bonds (distance) C4'-P energy: -53.451 bonds (distance) P-C4' energy: -61.208 flat angles C4'-P-C4' energy: -49.896 flat angles P-C4'-P energy: -24.328 tors. eta vs tors. theta energy: -20.822 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: 7 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -274.344754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.344754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.344754 (E_RNA) where: Base-Base interactions energy: -97.559 where: short stacking energy: -82.175 Base-Backbone interact. energy: 1.069 local terms energy: -177.854961 where: bonds (distance) C4'-P energy: -48.917 bonds (distance) P-C4' energy: -58.383 flat angles C4'-P-C4' energy: -32.996 flat angles P-C4'-P energy: -31.804 tors. eta vs tors. theta energy: -5.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1194.894451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.894451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.894451 (E_RNA) where: Base-Base interactions energy: -846.909 where: short stacking energy: -350.504 Base-Backbone interact. energy: -0.686 local terms energy: -347.299401 where: bonds (distance) C4'-P energy: -62.985 bonds (distance) P-C4' energy: -67.131 flat angles C4'-P-C4' energy: -75.454 flat angles P-C4'-P energy: -37.962 tors. eta vs tors. theta energy: -103.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1135.616540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.616540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.616540 (E_RNA) where: Base-Base interactions energy: -784.982 where: short stacking energy: -321.497 Base-Backbone interact. energy: -1.033 local terms energy: -349.601613 where: bonds (distance) C4'-P energy: -61.495 bonds (distance) P-C4' energy: -71.881 flat angles C4'-P-C4' energy: -74.160 flat angles P-C4'-P energy: -44.855 tors. eta vs tors. theta energy: -97.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1077.303972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.303972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.303972 (E_RNA) where: Base-Base interactions energy: -757.874 where: short stacking energy: -329.942 Base-Backbone interact. energy: -0.701 local terms energy: -318.728902 where: bonds (distance) C4'-P energy: -53.837 bonds (distance) P-C4' energy: -59.487 flat angles C4'-P-C4' energy: -66.239 flat angles P-C4'-P energy: -44.783 tors. eta vs tors. theta energy: -94.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1080.157758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.157758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.157758 (E_RNA) where: Base-Base interactions energy: -741.576 where: short stacking energy: -318.984 Base-Backbone interact. energy: -1.483 local terms energy: -337.098501 where: bonds (distance) C4'-P energy: -52.796 bonds (distance) P-C4' energy: -69.221 flat angles C4'-P-C4' energy: -74.302 flat angles P-C4'-P energy: -47.517 tors. eta vs tors. theta energy: -93.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -956.230625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.230625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.230625 (E_RNA) where: Base-Base interactions energy: -649.067 where: short stacking energy: -267.308 Base-Backbone interact. energy: -3.311 local terms energy: -303.852644 where: bonds (distance) C4'-P energy: -56.301 bonds (distance) P-C4' energy: -59.559 flat angles C4'-P-C4' energy: -73.650 flat angles P-C4'-P energy: -41.509 tors. eta vs tors. theta energy: -72.834 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: 6, replica: 9 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -952.946494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.946494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.946494 (E_RNA) where: Base-Base interactions energy: -662.331 where: short stacking energy: -267.479 Base-Backbone interact. energy: 0.288 local terms energy: -290.903929 where: bonds (distance) C4'-P energy: -53.067 bonds (distance) P-C4' energy: -60.255 flat angles C4'-P-C4' energy: -53.539 flat angles P-C4'-P energy: -48.965 tors. eta vs tors. theta energy: -75.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -754.149266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.149266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.149266 (E_RNA) where: Base-Base interactions energy: -490.049 where: short stacking energy: -228.710 Base-Backbone interact. energy: 0.682 local terms energy: -264.782303 where: bonds (distance) C4'-P energy: -63.847 bonds (distance) P-C4' energy: -48.221 flat angles C4'-P-C4' energy: -64.043 flat angles P-C4'-P energy: -34.037 tors. eta vs tors. theta energy: -54.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -619.595586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.595586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.595586 (E_RNA) where: Base-Base interactions energy: -377.755 where: short stacking energy: -192.488 Base-Backbone interact. energy: -0.592 local terms energy: -241.249295 where: bonds (distance) C4'-P energy: -54.243 bonds (distance) P-C4' energy: -59.082 flat angles C4'-P-C4' energy: -52.273 flat angles P-C4'-P energy: -34.146 tors. eta vs tors. theta energy: -41.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -564.085558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.085558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.085558 (E_RNA) where: Base-Base interactions energy: -346.162 where: short stacking energy: -175.138 Base-Backbone interact. energy: -0.138 local terms energy: -217.785899 where: bonds (distance) C4'-P energy: -48.267 bonds (distance) P-C4' energy: -54.149 flat angles C4'-P-C4' energy: -56.513 flat angles P-C4'-P energy: -30.174 tors. eta vs tors. theta energy: -28.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -270.931376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.931376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.931376 (E_RNA) where: Base-Base interactions energy: -110.438 where: short stacking energy: -83.979 Base-Backbone interact. energy: -3.683 local terms energy: -156.810187 where: bonds (distance) C4'-P energy: -57.770 bonds (distance) P-C4' energy: -51.750 flat angles C4'-P-C4' energy: -42.664 flat angles P-C4'-P energy: -13.849 tors. eta vs tors. theta energy: 9.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1195.852143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.852143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.852143 (E_RNA) where: Base-Base interactions energy: -841.646 where: short stacking energy: -361.304 Base-Backbone interact. energy: -2.095 local terms energy: -352.110617 where: bonds (distance) C4'-P energy: -60.902 bonds (distance) P-C4' energy: -61.692 flat angles C4'-P-C4' energy: -73.074 flat angles P-C4'-P energy: -55.037 tors. eta vs tors. theta energy: -101.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1126.527211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.527211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.527211 (E_RNA) where: Base-Base interactions energy: -768.160 where: short stacking energy: -320.707 Base-Backbone interact. energy: -1.302 local terms energy: -357.065039 where: bonds (distance) C4'-P energy: -70.874 bonds (distance) P-C4' energy: -67.294 flat angles C4'-P-C4' energy: -71.705 flat angles P-C4'-P energy: -52.160 tors. eta vs tors. theta energy: -95.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1100.573272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.573272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.573272 (E_RNA) where: Base-Base interactions energy: -762.366 where: short stacking energy: -333.168 Base-Backbone interact. energy: -3.200 local terms energy: -335.007059 where: bonds (distance) C4'-P energy: -65.826 bonds (distance) P-C4' energy: -51.913 flat angles C4'-P-C4' energy: -69.360 flat angles P-C4'-P energy: -52.191 tors. eta vs tors. theta energy: -95.717 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: 1 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1063.322509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.322509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.322509 (E_RNA) where: Base-Base interactions energy: -725.992 where: short stacking energy: -293.809 Base-Backbone interact. energy: 0.115 local terms energy: -337.445079 where: bonds (distance) C4'-P energy: -64.609 bonds (distance) P-C4' energy: -60.617 flat angles C4'-P-C4' energy: -69.146 flat angles P-C4'-P energy: -57.259 tors. eta vs tors. theta energy: -85.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -976.748986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.748986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.748986 (E_RNA) where: Base-Base interactions energy: -671.889 where: short stacking energy: -281.639 Base-Backbone interact. energy: -2.574 local terms energy: -302.286079 where: bonds (distance) C4'-P energy: -54.107 bonds (distance) P-C4' energy: -60.249 flat angles C4'-P-C4' energy: -74.143 flat angles P-C4'-P energy: -40.384 tors. eta vs tors. theta energy: -73.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -958.572812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.572812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.572812 (E_RNA) where: Base-Base interactions energy: -676.236 where: short stacking energy: -280.881 Base-Backbone interact. energy: -1.967 local terms energy: -280.370321 where: bonds (distance) C4'-P energy: -43.567 bonds (distance) P-C4' energy: -53.566 flat angles C4'-P-C4' energy: -69.869 flat angles P-C4'-P energy: -35.019 tors. eta vs tors. theta energy: -78.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -752.974467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.974467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.974467 (E_RNA) where: Base-Base interactions energy: -501.890 where: short stacking energy: -213.339 Base-Backbone interact. energy: 0.660 local terms energy: -251.744349 where: bonds (distance) C4'-P energy: -55.226 bonds (distance) P-C4' energy: -51.412 flat angles C4'-P-C4' energy: -56.258 flat angles P-C4'-P energy: -42.932 tors. eta vs tors. theta energy: -45.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -618.685646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.685646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.685646 (E_RNA) where: Base-Base interactions energy: -393.252 where: short stacking energy: -178.094 Base-Backbone interact. energy: 2.005 local terms energy: -227.438750 where: bonds (distance) C4'-P energy: -51.470 bonds (distance) P-C4' energy: -59.992 flat angles C4'-P-C4' energy: -48.912 flat angles P-C4'-P energy: -30.977 tors. eta vs tors. theta energy: -36.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -536.839534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.839534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.839534 (E_RNA) where: Base-Base interactions energy: -301.918 where: short stacking energy: -139.698 Base-Backbone interact. energy: -0.547 local terms energy: -234.374351 where: bonds (distance) C4'-P energy: -62.650 bonds (distance) P-C4' energy: -60.814 flat angles C4'-P-C4' energy: -49.716 flat angles P-C4'-P energy: -36.347 tors. eta vs tors. theta energy: -24.848 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: 7 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -367.823704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.823704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.823704 (E_RNA) where: Base-Base interactions energy: -188.072 where: short stacking energy: -125.309 Base-Backbone interact. energy: 3.033 local terms energy: -182.785163 where: bonds (distance) C4'-P energy: -57.346 bonds (distance) P-C4' energy: -53.661 flat angles C4'-P-C4' energy: -39.353 flat angles P-C4'-P energy: -20.391 tors. eta vs tors. theta energy: -12.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1192.416179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.416179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.416179 (E_RNA) where: Base-Base interactions energy: -838.657 where: short stacking energy: -347.032 Base-Backbone interact. energy: -3.225 local terms energy: -350.534192 where: bonds (distance) C4'-P energy: -63.518 bonds (distance) P-C4' energy: -57.913 flat angles C4'-P-C4' energy: -71.701 flat angles P-C4'-P energy: -53.072 tors. eta vs tors. theta energy: -104.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1133.373192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.373192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.373192 (E_RNA) where: Base-Base interactions energy: -784.033 where: short stacking energy: -337.051 Base-Backbone interact. energy: -1.839 local terms energy: -347.501399 where: bonds (distance) C4'-P energy: -58.060 bonds (distance) P-C4' energy: -63.805 flat angles C4'-P-C4' energy: -73.573 flat angles P-C4'-P energy: -57.218 tors. eta vs tors. theta energy: -94.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1095.793177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.793177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.793177 (E_RNA) where: Base-Base interactions energy: -763.835 where: short stacking energy: -325.863 Base-Backbone interact. energy: -1.040 local terms energy: -330.918666 where: bonds (distance) C4'-P energy: -70.890 bonds (distance) P-C4' energy: -61.049 flat angles C4'-P-C4' energy: -67.988 flat angles P-C4'-P energy: -42.060 tors. eta vs tors. theta energy: -88.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1081.468694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.468694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.468694 (E_RNA) where: Base-Base interactions energy: -748.669 where: short stacking energy: -354.510 Base-Backbone interact. energy: -2.744 local terms energy: -330.055248 where: bonds (distance) C4'-P energy: -50.565 bonds (distance) P-C4' energy: -54.532 flat angles C4'-P-C4' energy: -72.975 flat angles P-C4'-P energy: -46.520 tors. eta vs tors. theta energy: -105.463 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: 9 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -999.072177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.072177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.072177 (E_RNA) where: Base-Base interactions energy: -699.927 where: short stacking energy: -294.762 Base-Backbone interact. energy: 3.380 local terms energy: -302.524959 where: bonds (distance) C4'-P energy: -57.895 bonds (distance) P-C4' energy: -53.077 flat angles C4'-P-C4' energy: -70.845 flat angles P-C4'-P energy: -39.255 tors. eta vs tors. theta energy: -81.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -917.204869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.204869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.204869 (E_RNA) where: Base-Base interactions energy: -629.647 where: short stacking energy: -258.161 Base-Backbone interact. energy: -0.209 local terms energy: -287.348918 where: bonds (distance) C4'-P energy: -55.032 bonds (distance) P-C4' energy: -51.713 flat angles C4'-P-C4' energy: -62.939 flat angles P-C4'-P energy: -38.648 tors. eta vs tors. theta energy: -79.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -772.514992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.514992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.514992 (E_RNA) where: Base-Base interactions energy: -493.316 where: short stacking energy: -227.446 Base-Backbone interact. energy: -1.096 local terms energy: -278.103688 where: bonds (distance) C4'-P energy: -48.355 bonds (distance) P-C4' energy: -62.791 flat angles C4'-P-C4' energy: -57.557 flat angles P-C4'-P energy: -51.114 tors. eta vs tors. theta energy: -58.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -683.729965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.729965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.729965 (E_RNA) where: Base-Base interactions energy: -445.364 where: short stacking energy: -212.759 Base-Backbone interact. energy: -1.077 local terms energy: -237.289063 where: bonds (distance) C4'-P energy: -41.089 bonds (distance) P-C4' energy: -59.471 flat angles C4'-P-C4' energy: -49.716 flat angles P-C4'-P energy: -34.147 tors. eta vs tors. theta energy: -52.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -558.434252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.434252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.434252 (E_RNA) where: Base-Base interactions energy: -334.328 where: short stacking energy: -158.597 Base-Backbone interact. energy: -1.824 local terms energy: -222.281995 where: bonds (distance) C4'-P energy: -55.868 bonds (distance) P-C4' energy: -56.213 flat angles C4'-P-C4' energy: -56.527 flat angles P-C4'-P energy: -37.555 tors. eta vs tors. theta energy: -16.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -290.127400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.127400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.127400 (E_RNA) where: Base-Base interactions energy: -99.544 where: short stacking energy: -73.059 Base-Backbone interact. energy: -1.367 local terms energy: -189.217125 where: bonds (distance) C4'-P energy: -52.218 bonds (distance) P-C4' energy: -63.324 flat angles C4'-P-C4' energy: -34.106 flat angles P-C4'-P energy: -25.425 tors. eta vs tors. theta energy: -14.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1179.353606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.353606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.353606 (E_RNA) where: Base-Base interactions energy: -811.597 where: short stacking energy: -326.318 Base-Backbone interact. energy: -1.257 local terms energy: -366.500086 where: bonds (distance) C4'-P energy: -67.575 bonds (distance) P-C4' energy: -71.995 flat angles C4'-P-C4' energy: -77.872 flat angles P-C4'-P energy: -48.193 tors. eta vs tors. theta energy: -100.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1103.368403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.368403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.368403 (E_RNA) where: Base-Base interactions energy: -774.698 where: short stacking energy: -311.138 Base-Backbone interact. energy: 0.515 local terms energy: -329.185347 where: bonds (distance) C4'-P energy: -60.214 bonds (distance) P-C4' energy: -63.211 flat angles C4'-P-C4' energy: -71.406 flat angles P-C4'-P energy: -37.790 tors. eta vs tors. theta energy: -96.564 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: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1102.763839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.763839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.763839 (E_RNA) where: Base-Base interactions energy: -772.794 where: short stacking energy: -324.536 Base-Backbone interact. energy: -2.444 local terms energy: -327.526102 where: bonds (distance) C4'-P energy: -62.459 bonds (distance) P-C4' energy: -59.774 flat angles C4'-P-C4' energy: -66.041 flat angles P-C4'-P energy: -44.858 tors. eta vs tors. theta energy: -94.394 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: 3 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1075.466878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.466878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.466878 (E_RNA) where: Base-Base interactions energy: -746.305 where: short stacking energy: -322.982 Base-Backbone interact. energy: -1.961 local terms energy: -327.200853 where: bonds (distance) C4'-P energy: -65.911 bonds (distance) P-C4' energy: -58.974 flat angles C4'-P-C4' energy: -62.780 flat angles P-C4'-P energy: -52.813 tors. eta vs tors. theta energy: -86.724 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: 5, replica: 9 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1013.772390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.772390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.772390 (E_RNA) where: Base-Base interactions energy: -693.848 where: short stacking energy: -275.628 Base-Backbone interact. energy: -1.810 local terms energy: -318.114303 where: bonds (distance) C4'-P energy: -65.862 bonds (distance) P-C4' energy: -60.501 flat angles C4'-P-C4' energy: -67.476 flat angles P-C4'-P energy: -36.292 tors. eta vs tors. theta energy: -87.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -908.556389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.556389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.556389 (E_RNA) where: Base-Base interactions energy: -619.285 where: short stacking energy: -280.454 Base-Backbone interact. energy: -2.821 local terms energy: -286.450255 where: bonds (distance) C4'-P energy: -50.734 bonds (distance) P-C4' energy: -59.235 flat angles C4'-P-C4' energy: -70.652 flat angles P-C4'-P energy: -32.835 tors. eta vs tors. theta energy: -72.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -765.470202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.470202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.470202 (E_RNA) where: Base-Base interactions energy: -504.416 where: short stacking energy: -207.209 Base-Backbone interact. energy: -1.047 local terms energy: -260.007222 where: bonds (distance) C4'-P energy: -59.584 bonds (distance) P-C4' energy: -62.867 flat angles C4'-P-C4' energy: -60.199 flat angles P-C4'-P energy: -27.273 tors. eta vs tors. theta energy: -50.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -715.097616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.097616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.097616 (E_RNA) where: Base-Base interactions energy: -466.066 where: short stacking energy: -214.128 Base-Backbone interact. energy: -0.869 local terms energy: -248.162619 where: bonds (distance) C4'-P energy: -41.870 bonds (distance) P-C4' energy: -67.690 flat angles C4'-P-C4' energy: -51.204 flat angles P-C4'-P energy: -22.590 tors. eta vs tors. theta energy: -64.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -555.407685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.407685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.407685 (E_RNA) where: Base-Base interactions energy: -338.427 where: short stacking energy: -164.120 Base-Backbone interact. energy: 5.745 local terms energy: -222.725862 where: bonds (distance) C4'-P energy: -49.931 bonds (distance) P-C4' energy: -59.162 flat angles C4'-P-C4' energy: -56.595 flat angles P-C4'-P energy: -30.151 tors. eta vs tors. theta energy: -26.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -287.804526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.804526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.804526 (E_RNA) where: Base-Base interactions energy: -123.920 where: short stacking energy: -79.226 Base-Backbone interact. energy: 0.994 local terms energy: -164.878278 where: bonds (distance) C4'-P energy: -45.464 bonds (distance) P-C4' energy: -42.904 flat angles C4'-P-C4' energy: -40.681 flat angles P-C4'-P energy: -36.994 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: 1, replica: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1178.527287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.527287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.527287 (E_RNA) where: Base-Base interactions energy: -814.300 where: short stacking energy: -342.994 Base-Backbone interact. energy: -0.444 local terms energy: -363.783069 where: bonds (distance) C4'-P energy: -63.450 bonds (distance) P-C4' energy: -64.881 flat angles C4'-P-C4' energy: -80.318 flat angles P-C4'-P energy: -52.791 tors. eta vs tors. theta energy: -102.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1113.590912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.590912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.590912 (E_RNA) where: Base-Base interactions energy: -763.087 where: short stacking energy: -332.589 Base-Backbone interact. energy: -0.585 local terms energy: -349.918527 where: bonds (distance) C4'-P energy: -57.410 bonds (distance) P-C4' energy: -78.243 flat angles C4'-P-C4' energy: -72.328 flat angles P-C4'-P energy: -51.162 tors. eta vs tors. theta energy: -90.777 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: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1103.497959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.497959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.497959 (E_RNA) where: Base-Base interactions energy: -776.924 where: short stacking energy: -317.476 Base-Backbone interact. energy: 4.365 local terms energy: -330.938913 where: bonds (distance) C4'-P energy: -60.092 bonds (distance) P-C4' energy: -58.555 flat angles C4'-P-C4' energy: -76.128 flat angles P-C4'-P energy: -47.714 tors. eta vs tors. theta energy: -88.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1050.298626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.298626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.298626 (E_RNA) where: Base-Base interactions energy: -720.892 where: short stacking energy: -319.209 Base-Backbone interact. energy: -0.782 local terms energy: -328.623995 where: bonds (distance) C4'-P energy: -57.519 bonds (distance) P-C4' energy: -60.013 flat angles C4'-P-C4' energy: -78.288 flat angles P-C4'-P energy: -45.067 tors. eta vs tors. theta energy: -87.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1025.905264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.905264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.905264 (E_RNA) where: Base-Base interactions energy: -732.636 where: short stacking energy: -301.045 Base-Backbone interact. energy: 5.254 local terms energy: -298.523636 where: bonds (distance) C4'-P energy: -58.873 bonds (distance) P-C4' energy: -61.310 flat angles C4'-P-C4' energy: -55.916 flat angles P-C4'-P energy: -44.214 tors. eta vs tors. theta energy: -78.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -874.299097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.299097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.299097 (E_RNA) where: Base-Base interactions energy: -571.310 where: short stacking energy: -239.117 Base-Backbone interact. energy: 0.539 local terms energy: -303.528283 where: bonds (distance) C4'-P energy: -57.650 bonds (distance) P-C4' energy: -71.336 flat angles C4'-P-C4' energy: -73.678 flat angles P-C4'-P energy: -39.187 tors. eta vs tors. theta energy: -61.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -733.724265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.724265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.724265 (E_RNA) where: Base-Base interactions energy: -456.148 where: short stacking energy: -224.766 Base-Backbone interact. energy: 0.668 local terms energy: -278.244234 where: bonds (distance) C4'-P energy: -66.414 bonds (distance) P-C4' energy: -62.403 flat angles C4'-P-C4' energy: -69.828 flat angles P-C4'-P energy: -36.335 tors. eta vs tors. theta energy: -43.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -695.106118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.106118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.106118 (E_RNA) where: Base-Base interactions energy: -444.554 where: short stacking energy: -214.821 Base-Backbone interact. energy: -1.353 local terms energy: -249.199417 where: bonds (distance) C4'-P energy: -45.926 bonds (distance) P-C4' energy: -57.026 flat angles C4'-P-C4' energy: -56.153 flat angles P-C4'-P energy: -41.891 tors. eta vs tors. theta energy: -48.205 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: 5 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -558.336409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.336409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.336409 (E_RNA) where: Base-Base interactions energy: -325.799 where: short stacking energy: -154.803 Base-Backbone interact. energy: -0.888 local terms energy: -231.649535 where: bonds (distance) C4'-P energy: -51.190 bonds (distance) P-C4' energy: -55.529 flat angles C4'-P-C4' energy: -61.814 flat angles P-C4'-P energy: -37.823 tors. eta vs tors. theta energy: -25.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -339.713866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.713866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.713866 (E_RNA) where: Base-Base interactions energy: -156.470 where: short stacking energy: -110.723 Base-Backbone interact. energy: 1.971 local terms energy: -185.215453 where: bonds (distance) C4'-P energy: -48.791 bonds (distance) P-C4' energy: -51.718 flat angles C4'-P-C4' energy: -46.808 flat angles P-C4'-P energy: -30.904 tors. eta vs tors. theta energy: -6.994 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: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1181.119596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.119596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.119596 (E_RNA) where: Base-Base interactions energy: -826.157 where: short stacking energy: -336.108 Base-Backbone interact. energy: -4.360 local terms energy: -350.603301 where: bonds (distance) C4'-P energy: -62.089 bonds (distance) P-C4' energy: -65.809 flat angles C4'-P-C4' energy: -72.499 flat angles P-C4'-P energy: -50.537 tors. eta vs tors. theta energy: -99.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1113.652078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.652078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.652078 (E_RNA) where: Base-Base interactions energy: -769.054 where: short stacking energy: -313.880 Base-Backbone interact. energy: 0.492 local terms energy: -345.090527 where: bonds (distance) C4'-P energy: -68.060 bonds (distance) P-C4' energy: -63.409 flat angles C4'-P-C4' energy: -75.383 flat angles P-C4'-P energy: -51.986 tors. eta vs tors. theta energy: -86.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1099.622013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.622013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.622013 (E_RNA) where: Base-Base interactions energy: -759.809 where: short stacking energy: -311.388 Base-Backbone interact. energy: -1.184 local terms energy: -338.628636 where: bonds (distance) C4'-P energy: -59.852 bonds (distance) P-C4' energy: -65.547 flat angles C4'-P-C4' energy: -75.353 flat angles P-C4'-P energy: -49.864 tors. eta vs tors. theta energy: -88.012 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: 3 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1054.778578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.778578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.778578 (E_RNA) where: Base-Base interactions energy: -723.353 where: short stacking energy: -287.274 Base-Backbone interact. energy: -0.049 local terms energy: -331.376323 where: bonds (distance) C4'-P energy: -61.686 bonds (distance) P-C4' energy: -62.179 flat angles C4'-P-C4' energy: -73.215 flat angles P-C4'-P energy: -42.872 tors. eta vs tors. theta energy: -91.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1002.358999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.358999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.358999 (E_RNA) where: Base-Base interactions energy: -712.579 where: short stacking energy: -290.109 Base-Backbone interact. energy: 1.093 local terms energy: -290.872038 where: bonds (distance) C4'-P energy: -58.447 bonds (distance) P-C4' energy: -45.610 flat angles C4'-P-C4' energy: -65.865 flat angles P-C4'-P energy: -46.412 tors. eta vs tors. theta energy: -74.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -905.324048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.324048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.324048 (E_RNA) where: Base-Base interactions energy: -636.891 where: short stacking energy: -270.681 Base-Backbone interact. energy: 1.260 local terms energy: -269.692595 where: bonds (distance) C4'-P energy: -44.361 bonds (distance) P-C4' energy: -52.498 flat angles C4'-P-C4' energy: -61.903 flat angles P-C4'-P energy: -36.572 tors. eta vs tors. theta energy: -74.358 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: 2 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -717.815523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.815523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.815523 (E_RNA) where: Base-Base interactions energy: -453.375 where: short stacking energy: -222.708 Base-Backbone interact. energy: -0.910 local terms energy: -263.531084 where: bonds (distance) C4'-P energy: -53.279 bonds (distance) P-C4' energy: -61.388 flat angles C4'-P-C4' energy: -65.553 flat angles P-C4'-P energy: -35.042 tors. eta vs tors. theta energy: -48.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -653.331509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.331509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.331509 (E_RNA) where: Base-Base interactions energy: -404.138 where: short stacking energy: -183.765 Base-Backbone interact. energy: 1.328 local terms energy: -250.521167 where: bonds (distance) C4'-P energy: -54.966 bonds (distance) P-C4' energy: -64.876 flat angles C4'-P-C4' energy: -52.484 flat angles P-C4'-P energy: -44.596 tors. eta vs tors. theta energy: -33.600 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: 9, replica: 5 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -616.135951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.135951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.135951 (E_RNA) where: Base-Base interactions energy: -418.130 where: short stacking energy: -200.496 Base-Backbone interact. energy: 3.339 local terms energy: -201.344822 where: bonds (distance) C4'-P energy: -38.567 bonds (distance) P-C4' energy: -45.671 flat angles C4'-P-C4' energy: -42.402 flat angles P-C4'-P energy: -36.372 tors. eta vs tors. theta energy: -38.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -361.564369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.564369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.564369 (E_RNA) where: Base-Base interactions energy: -179.799 where: short stacking energy: -102.233 Base-Backbone interact. energy: -0.749 local terms energy: -181.016384 where: bonds (distance) C4'-P energy: -51.832 bonds (distance) P-C4' energy: -52.657 flat angles C4'-P-C4' energy: -46.754 flat angles P-C4'-P energy: -34.066 tors. eta vs tors. theta energy: 4.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1168.779373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.779373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.779373 (E_RNA) where: Base-Base interactions energy: -814.292 where: short stacking energy: -341.949 Base-Backbone interact. energy: -1.157 local terms energy: -353.330982 where: bonds (distance) C4'-P energy: -58.825 bonds (distance) P-C4' energy: -57.890 flat angles C4'-P-C4' energy: -80.084 flat angles P-C4'-P energy: -54.461 tors. eta vs tors. theta energy: -102.071 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: 392 Temperature: 0.950000 Total energy: -1095.175470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.175470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.175470 (E_RNA) where: Base-Base interactions energy: -748.459 where: short stacking energy: -321.786 Base-Backbone interact. energy: -0.693 local terms energy: -346.024303 where: bonds (distance) C4'-P energy: -68.459 bonds (distance) P-C4' energy: -69.221 flat angles C4'-P-C4' energy: -74.287 flat angles P-C4'-P energy: -39.968 tors. eta vs tors. theta energy: -94.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1068.537988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.537988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.537988 (E_RNA) where: Base-Base interactions energy: -749.981 where: short stacking energy: -314.923 Base-Backbone interact. energy: -1.436 local terms energy: -317.120825 where: bonds (distance) C4'-P energy: -57.950 bonds (distance) P-C4' energy: -52.880 flat angles C4'-P-C4' energy: -68.442 flat angles P-C4'-P energy: -45.903 tors. eta vs tors. theta energy: -91.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1037.313518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.313518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.313518 (E_RNA) where: Base-Base interactions energy: -721.899 where: short stacking energy: -319.461 Base-Backbone interact. energy: -0.302 local terms energy: -315.111920 where: bonds (distance) C4'-P energy: -60.784 bonds (distance) P-C4' energy: -44.618 flat angles C4'-P-C4' energy: -72.824 flat angles P-C4'-P energy: -43.371 tors. eta vs tors. theta energy: -93.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1017.440728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.440728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.440728 (E_RNA) where: Base-Base interactions energy: -709.552 where: short stacking energy: -306.735 Base-Backbone interact. energy: 0.678 local terms energy: -308.566745 where: bonds (distance) C4'-P energy: -54.345 bonds (distance) P-C4' energy: -59.257 flat angles C4'-P-C4' energy: -67.537 flat angles P-C4'-P energy: -46.695 tors. eta vs tors. theta energy: -80.734 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: 4 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -918.161158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.161158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.161158 (E_RNA) where: Base-Base interactions energy: -617.163 where: short stacking energy: -273.932 Base-Backbone interact. energy: -0.582 local terms energy: -300.416576 where: bonds (distance) C4'-P energy: -63.479 bonds (distance) P-C4' energy: -61.848 flat angles C4'-P-C4' energy: -68.918 flat angles P-C4'-P energy: -34.542 tors. eta vs tors. theta energy: -71.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -728.420936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.420936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.420936 (E_RNA) where: Base-Base interactions energy: -478.145 where: short stacking energy: -243.043 Base-Backbone interact. energy: -2.656 local terms energy: -247.619747 where: bonds (distance) C4'-P energy: -45.363 bonds (distance) P-C4' energy: -50.789 flat angles C4'-P-C4' energy: -66.937 flat angles P-C4'-P energy: -37.796 tors. eta vs tors. theta energy: -46.734 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: 6 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -683.371259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.371259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.371259 (E_RNA) where: Base-Base interactions energy: -445.154 where: short stacking energy: -176.553 Base-Backbone interact. energy: -1.235 local terms energy: -236.982186 where: bonds (distance) C4'-P energy: -50.736 bonds (distance) P-C4' energy: -57.297 flat angles C4'-P-C4' energy: -58.768 flat angles P-C4'-P energy: -37.705 tors. eta vs tors. theta energy: -32.476 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: 5 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -555.969780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.969780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.969780 (E_RNA) where: Base-Base interactions energy: -354.842 where: short stacking energy: -174.181 Base-Backbone interact. energy: -1.057 local terms energy: -200.071454 where: bonds (distance) C4'-P energy: -38.948 bonds (distance) P-C4' energy: -45.943 flat angles C4'-P-C4' energy: -47.603 flat angles P-C4'-P energy: -46.112 tors. eta vs tors. theta energy: -21.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -377.679442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.679442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.679442 (E_RNA) where: Base-Base interactions energy: -212.804 where: short stacking energy: -106.960 Base-Backbone interact. energy: 1.883 local terms energy: -166.758839 where: bonds (distance) C4'-P energy: -51.700 bonds (distance) P-C4' energy: -41.855 flat angles C4'-P-C4' energy: -55.799 flat angles P-C4'-P energy: -18.471 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: 8 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1177.325580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.325580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.325580 (E_RNA) where: Base-Base interactions energy: -826.535 where: short stacking energy: -345.782 Base-Backbone interact. energy: -0.433 local terms energy: -350.356968 where: bonds (distance) C4'-P energy: -62.297 bonds (distance) P-C4' energy: -59.888 flat angles C4'-P-C4' energy: -83.140 flat angles P-C4'-P energy: -39.420 tors. eta vs tors. theta energy: -105.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1105.788193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.788193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.788193 (E_RNA) where: Base-Base interactions energy: -756.395 where: short stacking energy: -319.527 Base-Backbone interact. energy: -0.332 local terms energy: -349.060835 where: bonds (distance) C4'-P energy: -68.406 bonds (distance) P-C4' energy: -67.027 flat angles C4'-P-C4' energy: -71.889 flat angles P-C4'-P energy: -44.844 tors. eta vs tors. theta energy: -96.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1090.299905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.299905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.299905 (E_RNA) where: Base-Base interactions energy: -758.298 where: short stacking energy: -314.934 Base-Backbone interact. energy: -0.875 local terms energy: -331.126747 where: bonds (distance) C4'-P energy: -64.721 bonds (distance) P-C4' energy: -64.672 flat angles C4'-P-C4' energy: -64.066 flat angles P-C4'-P energy: -47.003 tors. eta vs tors. theta energy: -90.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1023.904057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.904057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.904057 (E_RNA) where: Base-Base interactions energy: -688.155 where: short stacking energy: -308.091 Base-Backbone interact. energy: 0.049 local terms energy: -335.798229 where: bonds (distance) C4'-P energy: -53.679 bonds (distance) P-C4' energy: -61.497 flat angles C4'-P-C4' energy: -70.523 flat angles P-C4'-P energy: -51.643 tors. eta vs tors. theta energy: -98.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -988.399163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.399163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.399163 (E_RNA) where: Base-Base interactions energy: -692.923 where: short stacking energy: -283.593 Base-Backbone interact. energy: -2.881 local terms energy: -292.595557 where: bonds (distance) C4'-P energy: -63.644 bonds (distance) P-C4' energy: -59.733 flat angles C4'-P-C4' energy: -52.140 flat angles P-C4'-P energy: -42.279 tors. eta vs tors. theta energy: -74.800 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: 4 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -902.773168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.773168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.773168 (E_RNA) where: Base-Base interactions energy: -608.607 where: short stacking energy: -255.674 Base-Backbone interact. energy: 0.481 local terms energy: -294.646953 where: bonds (distance) C4'-P energy: -61.535 bonds (distance) P-C4' energy: -62.833 flat angles C4'-P-C4' energy: -59.356 flat angles P-C4'-P energy: -43.497 tors. eta vs tors. theta energy: -67.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -758.162166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.162166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.162166 (E_RNA) where: Base-Base interactions energy: -485.193 where: short stacking energy: -244.837 Base-Backbone interact. energy: -0.133 local terms energy: -272.836087 where: bonds (distance) C4'-P energy: -48.966 bonds (distance) P-C4' energy: -55.386 flat angles C4'-P-C4' energy: -68.152 flat angles P-C4'-P energy: -49.018 tors. eta vs tors. theta energy: -51.315 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: 6 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -685.478240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.478240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.478240 (E_RNA) where: Base-Base interactions energy: -468.757 where: short stacking energy: -185.965 Base-Backbone interact. energy: 1.818 local terms energy: -218.539518 where: bonds (distance) C4'-P energy: -50.036 bonds (distance) P-C4' energy: -54.791 flat angles C4'-P-C4' energy: -49.799 flat angles P-C4'-P energy: -38.754 tors. eta vs tors. theta energy: -25.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -552.214979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.214979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.214979 (E_RNA) where: Base-Base interactions energy: -315.970 where: short stacking energy: -166.306 Base-Backbone interact. energy: -1.104 local terms energy: -235.140796 where: bonds (distance) C4'-P energy: -59.106 bonds (distance) P-C4' energy: -51.698 flat angles C4'-P-C4' energy: -56.365 flat angles P-C4'-P energy: -40.035 tors. eta vs tors. theta energy: -27.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -381.948488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.948488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.948488 (E_RNA) where: Base-Base interactions energy: -193.688 where: short stacking energy: -122.889 Base-Backbone interact. energy: -0.615 local terms energy: -187.645738 where: bonds (distance) C4'-P energy: -54.254 bonds (distance) P-C4' energy: -49.770 flat angles C4'-P-C4' energy: -44.750 flat angles P-C4'-P energy: -28.451 tors. eta vs tors. theta energy: -10.421 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: 8 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1187.708148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.708148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.708148 (E_RNA) where: Base-Base interactions energy: -841.122 where: short stacking energy: -349.699 Base-Backbone interact. energy: -2.585 local terms energy: -344.001389 where: bonds (distance) C4'-P energy: -61.258 bonds (distance) P-C4' energy: -60.134 flat angles C4'-P-C4' energy: -72.999 flat angles P-C4'-P energy: -47.360 tors. eta vs tors. theta energy: -102.251 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: 2, replica: 10 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1101.026571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.026571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.026571 (E_RNA) where: Base-Base interactions energy: -768.949 where: short stacking energy: -318.181 Base-Backbone interact. energy: -0.648 local terms energy: -331.428906 where: bonds (distance) C4'-P energy: -60.198 bonds (distance) P-C4' energy: -62.621 flat angles C4'-P-C4' energy: -70.609 flat angles P-C4'-P energy: -40.354 tors. eta vs tors. theta energy: -97.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1062.152451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.152451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.152451 (E_RNA) where: Base-Base interactions energy: -735.063 where: short stacking energy: -312.292 Base-Backbone interact. energy: -0.658 local terms energy: -326.431353 where: bonds (distance) C4'-P energy: -66.598 bonds (distance) P-C4' energy: -62.365 flat angles C4'-P-C4' energy: -66.734 flat angles P-C4'-P energy: -43.726 tors. eta vs tors. theta energy: -87.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1063.260804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.260804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.260804 (E_RNA) where: Base-Base interactions energy: -729.614 where: short stacking energy: -320.800 Base-Backbone interact. energy: -1.523 local terms energy: -332.124394 where: bonds (distance) C4'-P energy: -63.573 bonds (distance) P-C4' energy: -61.595 flat angles C4'-P-C4' energy: -66.709 flat angles P-C4'-P energy: -39.932 tors. eta vs tors. theta energy: -100.315 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: 9 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -990.736074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.736074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.736074 (E_RNA) where: Base-Base interactions energy: -700.415 where: short stacking energy: -285.370 Base-Backbone interact. energy: -0.870 local terms energy: -289.450290 where: bonds (distance) C4'-P energy: -51.076 bonds (distance) P-C4' energy: -50.423 flat angles C4'-P-C4' energy: -70.286 flat angles P-C4'-P energy: -41.583 tors. eta vs tors. theta energy: -76.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -864.870898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.870898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.870898 (E_RNA) where: Base-Base interactions energy: -587.494 where: short stacking energy: -252.839 Base-Backbone interact. energy: -2.549 local terms energy: -274.828656 where: bonds (distance) C4'-P energy: -44.689 bonds (distance) P-C4' energy: -54.531 flat angles C4'-P-C4' energy: -58.491 flat angles P-C4'-P energy: -54.030 tors. eta vs tors. theta energy: -63.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -729.118743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.118743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.118743 (E_RNA) where: Base-Base interactions energy: -466.911 where: short stacking energy: -213.772 Base-Backbone interact. energy: 1.018 local terms energy: -263.225231 where: bonds (distance) C4'-P energy: -51.903 bonds (distance) P-C4' energy: -60.431 flat angles C4'-P-C4' energy: -64.316 flat angles P-C4'-P energy: -43.122 tors. eta vs tors. theta energy: -43.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -707.976975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.976975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.976975 (E_RNA) where: Base-Base interactions energy: -466.189 where: short stacking energy: -199.808 Base-Backbone interact. energy: -0.282 local terms energy: -241.506715 where: bonds (distance) C4'-P energy: -51.031 bonds (distance) P-C4' energy: -47.111 flat angles C4'-P-C4' energy: -64.313 flat angles P-C4'-P energy: -42.456 tors. eta vs tors. theta energy: -36.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -565.156622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.156622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.156622 (E_RNA) where: Base-Base interactions energy: -334.751 where: short stacking energy: -155.453 Base-Backbone interact. energy: -0.542 local terms energy: -229.863552 where: bonds (distance) C4'-P energy: -51.793 bonds (distance) P-C4' energy: -62.072 flat angles C4'-P-C4' energy: -53.521 flat angles P-C4'-P energy: -39.068 tors. eta vs tors. theta energy: -23.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -368.245799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.245799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.245799 (E_RNA) where: Base-Base interactions energy: -192.616 where: short stacking energy: -107.207 Base-Backbone interact. energy: 0.462 local terms energy: -176.091344 where: bonds (distance) C4'-P energy: -40.845 bonds (distance) P-C4' energy: -61.600 flat angles C4'-P-C4' energy: -45.211 flat angles P-C4'-P energy: -28.606 tors. eta vs tors. theta energy: 0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1167.372330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.372330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.372330 (E_RNA) where: Base-Base interactions energy: -831.740 where: short stacking energy: -335.955 Base-Backbone interact. energy: 0.027 local terms energy: -335.660302 where: bonds (distance) C4'-P energy: -61.282 bonds (distance) P-C4' energy: -62.535 flat angles C4'-P-C4' energy: -63.883 flat angles P-C4'-P energy: -48.006 tors. eta vs tors. theta energy: -99.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1103.924760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.924760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.924760 (E_RNA) where: Base-Base interactions energy: -769.575 where: short stacking energy: -335.611 Base-Backbone interact. energy: 0.739 local terms energy: -335.088664 where: bonds (distance) C4'-P energy: -48.180 bonds (distance) P-C4' energy: -60.811 flat angles C4'-P-C4' energy: -70.824 flat angles P-C4'-P energy: -54.488 tors. eta vs tors. theta energy: -100.785 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: 3, replica: 1 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1055.730613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.730613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.730613 (E_RNA) where: Base-Base interactions energy: -742.956 where: short stacking energy: -309.987 Base-Backbone interact. energy: -0.063 local terms energy: -312.711227 where: bonds (distance) C4'-P energy: -67.869 bonds (distance) P-C4' energy: -60.655 flat angles C4'-P-C4' energy: -67.583 flat angles P-C4'-P energy: -37.971 tors. eta vs tors. theta energy: -78.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1065.297301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.297301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.297301 (E_RNA) where: Base-Base interactions energy: -725.672 where: short stacking energy: -329.158 Base-Backbone interact. energy: -0.402 local terms energy: -339.222713 where: bonds (distance) C4'-P energy: -60.426 bonds (distance) P-C4' energy: -60.749 flat angles C4'-P-C4' energy: -69.481 flat angles P-C4'-P energy: -48.997 tors. eta vs tors. theta energy: -99.570 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: 395 Temperature: 1.100000 Total energy: -1004.724615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.724615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.724615 (E_RNA) where: Base-Base interactions energy: -695.201 where: short stacking energy: -294.638 Base-Backbone interact. energy: -0.883 local terms energy: -308.640464 where: bonds (distance) C4'-P energy: -61.227 bonds (distance) P-C4' energy: -58.895 flat angles C4'-P-C4' energy: -56.010 flat angles P-C4'-P energy: -49.071 tors. eta vs tors. theta energy: -83.437 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: 4 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -885.986552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.986552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.986552 (E_RNA) where: Base-Base interactions energy: -590.665 where: short stacking energy: -252.594 Base-Backbone interact. energy: -1.013 local terms energy: -294.308793 where: bonds (distance) C4'-P energy: -56.026 bonds (distance) P-C4' energy: -62.280 flat angles C4'-P-C4' energy: -65.273 flat angles P-C4'-P energy: -43.768 tors. eta vs tors. theta energy: -66.962 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: 2 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -745.532826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.532826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.532826 (E_RNA) where: Base-Base interactions energy: -479.017 where: short stacking energy: -211.363 Base-Backbone interact. energy: -2.979 local terms energy: -263.536277 where: bonds (distance) C4'-P energy: -54.105 bonds (distance) P-C4' energy: -65.679 flat angles C4'-P-C4' energy: -56.766 flat angles P-C4'-P energy: -37.098 tors. eta vs tors. theta energy: -49.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -690.566305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.566305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.566305 (E_RNA) where: Base-Base interactions energy: -444.144 where: short stacking energy: -187.623 Base-Backbone interact. energy: 0.152 local terms energy: -246.574119 where: bonds (distance) C4'-P energy: -53.521 bonds (distance) P-C4' energy: -54.102 flat angles C4'-P-C4' energy: -60.805 flat angles P-C4'-P energy: -35.143 tors. eta vs tors. theta energy: -43.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -566.919940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.919940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.919940 (E_RNA) where: Base-Base interactions energy: -346.193 where: short stacking energy: -153.323 Base-Backbone interact. energy: -1.695 local terms energy: -219.032008 where: bonds (distance) C4'-P energy: -48.806 bonds (distance) P-C4' energy: -62.919 flat angles C4'-P-C4' energy: -58.750 flat angles P-C4'-P energy: -22.723 tors. eta vs tors. theta energy: -25.835 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: 10, replica: 7 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -362.428076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.428076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.428076 (E_RNA) where: Base-Base interactions energy: -172.530 where: short stacking energy: -96.325 Base-Backbone interact. energy: 0.038 local terms energy: -189.936248 where: bonds (distance) C4'-P energy: -58.253 bonds (distance) P-C4' energy: -51.277 flat angles C4'-P-C4' energy: -56.535 flat angles P-C4'-P energy: -33.241 tors. eta vs tors. theta energy: 9.369 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: 1, replica: 8 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1186.512917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.512917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.512917 (E_RNA) where: Base-Base interactions energy: -833.373 where: short stacking energy: -333.047 Base-Backbone interact. energy: -2.476 local terms energy: -350.663904 where: bonds (distance) C4'-P energy: -64.016 bonds (distance) P-C4' energy: -63.874 flat angles C4'-P-C4' energy: -74.163 flat angles P-C4'-P energy: -46.887 tors. eta vs tors. theta energy: -101.724 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: 2, replica: 10 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1115.690115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.690115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.690115 (E_RNA) where: Base-Base interactions energy: -772.144 where: short stacking energy: -320.767 Base-Backbone interact. energy: -1.033 local terms energy: -342.513206 where: bonds (distance) C4'-P energy: -57.738 bonds (distance) P-C4' energy: -71.510 flat angles C4'-P-C4' energy: -74.041 flat angles P-C4'-P energy: -47.424 tors. eta vs tors. theta energy: -91.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1102.532996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.532996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.532996 (E_RNA) where: Base-Base interactions energy: -760.480 where: short stacking energy: -338.291 Base-Backbone interact. energy: -2.227 local terms energy: -339.825749 where: bonds (distance) C4'-P energy: -58.631 bonds (distance) P-C4' energy: -63.673 flat angles C4'-P-C4' energy: -71.861 flat angles P-C4'-P energy: -47.500 tors. eta vs tors. theta energy: -98.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1049.838338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.838338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.838338 (E_RNA) where: Base-Base interactions energy: -716.066 where: short stacking energy: -294.710 Base-Backbone interact. energy: -1.404 local terms energy: -332.368633 where: bonds (distance) C4'-P energy: -68.890 bonds (distance) P-C4' energy: -66.381 flat angles C4'-P-C4' energy: -71.766 flat angles P-C4'-P energy: -39.711 tors. eta vs tors. theta energy: -85.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -907.279294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.279294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.279294 (E_RNA) where: Base-Base interactions energy: -608.419 where: short stacking energy: -257.960 Base-Backbone interact. energy: -1.303 local terms energy: -297.556677 where: bonds (distance) C4'-P energy: -69.780 bonds (distance) P-C4' energy: -54.919 flat angles C4'-P-C4' energy: -60.417 flat angles P-C4'-P energy: -33.808 tors. eta vs tors. theta energy: -78.633 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: 6, replica: 9 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -958.396552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.396552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.396552 (E_RNA) where: Base-Base interactions energy: -663.038 where: short stacking energy: -260.999 Base-Backbone interact. energy: -0.985 local terms energy: -294.374164 where: bonds (distance) C4'-P energy: -60.778 bonds (distance) P-C4' energy: -54.808 flat angles C4'-P-C4' energy: -59.784 flat angles P-C4'-P energy: -43.603 tors. eta vs tors. theta energy: -75.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -730.242420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.242420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.242420 (E_RNA) where: Base-Base interactions energy: -447.159 where: short stacking energy: -217.791 Base-Backbone interact. energy: 0.153 local terms energy: -283.236092 where: bonds (distance) C4'-P energy: -65.266 bonds (distance) P-C4' energy: -59.426 flat angles C4'-P-C4' energy: -64.988 flat angles P-C4'-P energy: -42.164 tors. eta vs tors. theta energy: -51.392 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: 6 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -730.804837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.804837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.804837 (E_RNA) where: Base-Base interactions energy: -485.836 where: short stacking energy: -215.435 Base-Backbone interact. energy: -0.340 local terms energy: -244.628988 where: bonds (distance) C4'-P energy: -55.456 bonds (distance) P-C4' energy: -63.060 flat angles C4'-P-C4' energy: -44.624 flat angles P-C4'-P energy: -38.726 tors. eta vs tors. theta energy: -42.763 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: 5 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -545.177570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.177570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.177570 (E_RNA) where: Base-Base interactions energy: -314.152 where: short stacking energy: -152.005 Base-Backbone interact. energy: -1.280 local terms energy: -229.745309 where: bonds (distance) C4'-P energy: -48.616 bonds (distance) P-C4' energy: -65.922 flat angles C4'-P-C4' energy: -53.060 flat angles P-C4'-P energy: -38.034 tors. eta vs tors. theta energy: -24.114 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: 7 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -351.662776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.662776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.662776 (E_RNA) where: Base-Base interactions energy: -162.427 where: short stacking energy: -101.920 Base-Backbone interact. energy: -1.764 local terms energy: -187.472243 where: bonds (distance) C4'-P energy: -46.376 bonds (distance) P-C4' energy: -51.720 flat angles C4'-P-C4' energy: -53.287 flat angles P-C4'-P energy: -26.307 tors. eta vs tors. theta energy: -9.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1174.840124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.840124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.840124 (E_RNA) where: Base-Base interactions energy: -824.153 where: short stacking energy: -352.755 Base-Backbone interact. energy: -2.559 local terms energy: -348.128284 where: bonds (distance) C4'-P energy: -67.098 bonds (distance) P-C4' energy: -64.165 flat angles C4'-P-C4' energy: -66.100 flat angles P-C4'-P energy: -46.647 tors. eta vs tors. theta energy: -104.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1116.562291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.562291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.562291 (E_RNA) where: Base-Base interactions energy: -774.966 where: short stacking energy: -316.715 Base-Backbone interact. energy: -3.029 local terms energy: -338.567448 where: bonds (distance) C4'-P energy: -59.976 bonds (distance) P-C4' energy: -66.252 flat angles C4'-P-C4' energy: -73.580 flat angles P-C4'-P energy: -49.112 tors. eta vs tors. theta energy: -89.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1107.269786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.269786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.269786 (E_RNA) where: Base-Base interactions energy: -764.080 where: short stacking energy: -337.012 Base-Backbone interact. energy: -0.857 local terms energy: -342.332572 where: bonds (distance) C4'-P energy: -57.211 bonds (distance) P-C4' energy: -63.870 flat angles C4'-P-C4' energy: -66.952 flat angles P-C4'-P energy: -53.965 tors. eta vs tors. theta energy: -100.334 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: 1 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1073.596771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.596771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.596771 (E_RNA) where: Base-Base interactions energy: -738.169 where: short stacking energy: -304.682 Base-Backbone interact. energy: 0.560 local terms energy: -335.987659 where: bonds (distance) C4'-P energy: -66.814 bonds (distance) P-C4' energy: -57.512 flat angles C4'-P-C4' energy: -71.674 flat angles P-C4'-P energy: -54.335 tors. eta vs tors. theta energy: -85.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -938.785445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.785445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.785445 (E_RNA) where: Base-Base interactions energy: -622.275 where: short stacking energy: -257.567 Base-Backbone interact. energy: -2.280 local terms energy: -314.230587 where: bonds (distance) C4'-P energy: -52.263 bonds (distance) P-C4' energy: -71.155 flat angles C4'-P-C4' energy: -68.339 flat angles P-C4'-P energy: -42.197 tors. eta vs tors. theta energy: -80.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -976.165523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.165523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.165523 (E_RNA) where: Base-Base interactions energy: -668.977 where: short stacking energy: -270.938 Base-Backbone interact. energy: -0.646 local terms energy: -306.543154 where: bonds (distance) C4'-P energy: -52.214 bonds (distance) P-C4' energy: -73.806 flat angles C4'-P-C4' energy: -63.924 flat angles P-C4'-P energy: -40.967 tors. eta vs tors. theta energy: -75.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -719.450557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.450557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.450557 (E_RNA) where: Base-Base interactions energy: -469.890 where: short stacking energy: -223.862 Base-Backbone interact. energy: -0.580 local terms energy: -248.980278 where: bonds (distance) C4'-P energy: -50.625 bonds (distance) P-C4' energy: -52.825 flat angles C4'-P-C4' energy: -52.764 flat angles P-C4'-P energy: -39.749 tors. eta vs tors. theta energy: -53.016 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: 397 Temperature: 1.250000 Total energy: -695.351314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.351314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.351314 (E_RNA) where: Base-Base interactions energy: -449.373 where: short stacking energy: -183.157 Base-Backbone interact. energy: -2.826 local terms energy: -243.152261 where: bonds (distance) C4'-P energy: -53.203 bonds (distance) P-C4' energy: -53.997 flat angles C4'-P-C4' energy: -51.576 flat angles P-C4'-P energy: -42.530 tors. eta vs tors. theta energy: -41.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -596.146102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.146102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.146102 (E_RNA) where: Base-Base interactions energy: -370.333 where: short stacking energy: -177.168 Base-Backbone interact. energy: 1.096 local terms energy: -226.909985 where: bonds (distance) C4'-P energy: -46.732 bonds (distance) P-C4' energy: -57.929 flat angles C4'-P-C4' energy: -64.016 flat angles P-C4'-P energy: -17.769 tors. eta vs tors. theta energy: -40.463 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: 7 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -363.468554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.468554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.468554 (E_RNA) where: Base-Base interactions energy: -186.182 where: short stacking energy: -116.664 Base-Backbone interact. energy: -0.639 local terms energy: -176.647382 where: bonds (distance) C4'-P energy: -55.802 bonds (distance) P-C4' energy: -47.124 flat angles C4'-P-C4' energy: -55.813 flat angles P-C4'-P energy: -19.485 tors. eta vs tors. theta energy: 1.577 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: 8 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1184.940937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.940937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.940937 (E_RNA) where: Base-Base interactions energy: -824.083 where: short stacking energy: -332.030 Base-Backbone interact. energy: -1.847 local terms energy: -359.010331 where: bonds (distance) C4'-P energy: -68.392 bonds (distance) P-C4' energy: -69.060 flat angles C4'-P-C4' energy: -77.125 flat angles P-C4'-P energy: -44.092 tors. eta vs tors. theta energy: -100.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1129.311481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.311481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.311481 (E_RNA) where: Base-Base interactions energy: -789.646 where: short stacking energy: -324.641 Base-Backbone interact. energy: 1.991 local terms energy: -341.656242 where: bonds (distance) C4'-P energy: -64.902 bonds (distance) P-C4' energy: -62.643 flat angles C4'-P-C4' energy: -73.662 flat angles P-C4'-P energy: -49.042 tors. eta vs tors. theta energy: -91.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1099.777405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.777405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.777405 (E_RNA) where: Base-Base interactions energy: -752.061 where: short stacking energy: -340.289 Base-Backbone interact. energy: -1.048 local terms energy: -346.669351 where: bonds (distance) C4'-P energy: -41.348 bonds (distance) P-C4' energy: -66.564 flat angles C4'-P-C4' energy: -81.605 flat angles P-C4'-P energy: -55.445 tors. eta vs tors. theta energy: -101.708 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: 1 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1075.689744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.689744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.689744 (E_RNA) where: Base-Base interactions energy: -754.278 where: short stacking energy: -303.268 Base-Backbone interact. energy: -1.145 local terms energy: -320.266667 where: bonds (distance) C4'-P energy: -57.999 bonds (distance) P-C4' energy: -63.564 flat angles C4'-P-C4' energy: -68.799 flat angles P-C4'-P energy: -48.209 tors. eta vs tors. theta energy: -81.696 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: 398 Temperature: 1.100000 Total energy: -1011.582293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.582293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.582293 (E_RNA) where: Base-Base interactions energy: -705.422 where: short stacking energy: -276.070 Base-Backbone interact. energy: 0.390 local terms energy: -306.549722 where: bonds (distance) C4'-P energy: -65.981 bonds (distance) P-C4' energy: -52.108 flat angles C4'-P-C4' energy: -64.746 flat angles P-C4'-P energy: -46.849 tors. eta vs tors. theta energy: -76.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -921.696505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.696505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.696505 (E_RNA) where: Base-Base interactions energy: -599.665 where: short stacking energy: -268.106 Base-Backbone interact. energy: -1.257 local terms energy: -320.774251 where: bonds (distance) C4'-P energy: -63.702 bonds (distance) P-C4' energy: -65.992 flat angles C4'-P-C4' energy: -65.246 flat angles P-C4'-P energy: -47.119 tors. eta vs tors. theta energy: -78.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -745.679341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.679341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.679341 (E_RNA) where: Base-Base interactions energy: -475.760 where: short stacking energy: -218.603 Base-Backbone interact. energy: 3.266 local terms energy: -273.184789 where: bonds (distance) C4'-P energy: -59.421 bonds (distance) P-C4' energy: -64.525 flat angles C4'-P-C4' energy: -59.341 flat angles P-C4'-P energy: -40.395 tors. eta vs tors. theta energy: -49.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -617.000913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.000913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.000913 (E_RNA) where: Base-Base interactions energy: -393.181 where: short stacking energy: -161.862 Base-Backbone interact. energy: 4.860 local terms energy: -228.679360 where: bonds (distance) C4'-P energy: -58.935 bonds (distance) P-C4' energy: -64.211 flat angles C4'-P-C4' energy: -49.184 flat angles P-C4'-P energy: -28.557 tors. eta vs tors. theta energy: -27.792 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: 5 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -573.325995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.325995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.325995 (E_RNA) where: Base-Base interactions energy: -359.194 where: short stacking energy: -164.632 Base-Backbone interact. energy: -1.225 local terms energy: -212.907347 where: bonds (distance) C4'-P energy: -53.973 bonds (distance) P-C4' energy: -45.239 flat angles C4'-P-C4' energy: -49.148 flat angles P-C4'-P energy: -36.992 tors. eta vs tors. theta energy: -27.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -377.844689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.844689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.844689 (E_RNA) where: Base-Base interactions energy: -189.292 where: short stacking energy: -105.024 Base-Backbone interact. energy: -2.275 local terms energy: -186.277407 where: bonds (distance) C4'-P energy: -55.870 bonds (distance) P-C4' energy: -53.451 flat angles C4'-P-C4' energy: -45.996 flat angles P-C4'-P energy: -22.485 tors. eta vs tors. theta energy: -8.475 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: 8 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1184.397822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.397822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.397822 (E_RNA) where: Base-Base interactions energy: -827.703 where: short stacking energy: -320.602 Base-Backbone interact. energy: -0.658 local terms energy: -356.037169 where: bonds (distance) C4'-P energy: -63.222 bonds (distance) P-C4' energy: -66.504 flat angles C4'-P-C4' energy: -74.315 flat angles P-C4'-P energy: -47.990 tors. eta vs tors. theta energy: -104.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1109.584024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.584024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.584024 (E_RNA) where: Base-Base interactions energy: -760.298 where: short stacking energy: -350.228 Base-Backbone interact. energy: -1.076 local terms energy: -348.209868 where: bonds (distance) C4'-P energy: -69.318 bonds (distance) P-C4' energy: -57.644 flat angles C4'-P-C4' energy: -71.388 flat angles P-C4'-P energy: -47.277 tors. eta vs tors. theta energy: -102.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1120.475960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.475960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.475960 (E_RNA) where: Base-Base interactions energy: -794.175 where: short stacking energy: -351.093 Base-Backbone interact. energy: -0.350 local terms energy: -325.950838 where: bonds (distance) C4'-P energy: -51.352 bonds (distance) P-C4' energy: -56.371 flat angles C4'-P-C4' energy: -75.526 flat angles P-C4'-P energy: -40.408 tors. eta vs tors. theta energy: -102.295 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: 1 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1052.914845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.914845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.914845 (E_RNA) where: Base-Base interactions energy: -740.612 where: short stacking energy: -293.668 Base-Backbone interact. energy: -0.566 local terms energy: -311.736983 where: bonds (distance) C4'-P energy: -61.033 bonds (distance) P-C4' energy: -58.359 flat angles C4'-P-C4' energy: -69.751 flat angles P-C4'-P energy: -47.349 tors. eta vs tors. theta energy: -75.246 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: 9 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1009.405392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.405392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.405392 (E_RNA) where: Base-Base interactions energy: -696.772 where: short stacking energy: -299.462 Base-Backbone interact. energy: 1.093 local terms energy: -313.726954 where: bonds (distance) C4'-P energy: -53.558 bonds (distance) P-C4' energy: -58.319 flat angles C4'-P-C4' energy: -70.511 flat angles P-C4'-P energy: -48.451 tors. eta vs tors. theta energy: -82.888 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: 4 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -924.052552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.052552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.052552 (E_RNA) where: Base-Base interactions energy: -622.481 where: short stacking energy: -259.559 Base-Backbone interact. energy: -0.183 local terms energy: -301.387963 where: bonds (distance) C4'-P energy: -45.857 bonds (distance) P-C4' energy: -54.937 flat angles C4'-P-C4' energy: -71.524 flat angles P-C4'-P energy: -48.961 tors. eta vs tors. theta energy: -80.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -761.113512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.113512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.113512 (E_RNA) where: Base-Base interactions energy: -476.917 where: short stacking energy: -245.650 Base-Backbone interact. energy: -0.901 local terms energy: -283.295870 where: bonds (distance) C4'-P energy: -60.017 bonds (distance) P-C4' energy: -62.095 flat angles C4'-P-C4' energy: -62.127 flat angles P-C4'-P energy: -35.372 tors. eta vs tors. theta energy: -63.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -627.255023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.255023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.255023 (E_RNA) where: Base-Base interactions energy: -393.147 where: short stacking energy: -193.903 Base-Backbone interact. energy: -2.345 local terms energy: -231.763211 where: bonds (distance) C4'-P energy: -56.012 bonds (distance) P-C4' energy: -59.477 flat angles C4'-P-C4' energy: -46.504 flat angles P-C4'-P energy: -37.067 tors. eta vs tors. theta energy: -32.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -590.374846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.374846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.374846 (E_RNA) where: Base-Base interactions energy: -377.738 where: short stacking energy: -180.511 Base-Backbone interact. energy: 1.608 local terms energy: -214.245015 where: bonds (distance) C4'-P energy: -42.598 bonds (distance) P-C4' energy: -52.607 flat angles C4'-P-C4' energy: -51.728 flat angles P-C4'-P energy: -42.900 tors. eta vs tors. theta energy: -24.412 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: 399 Temperature: 1.350000 Total energy: -394.370570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.370570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.370570 (E_RNA) where: Base-Base interactions energy: -216.596 where: short stacking energy: -107.614 Base-Backbone interact. energy: 6.326 local terms energy: -184.101178 where: bonds (distance) C4'-P energy: -33.959 bonds (distance) P-C4' energy: -58.850 flat angles C4'-P-C4' energy: -55.973 flat angles P-C4'-P energy: -28.027 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: 1, replica: 8 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1187.025691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.025691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.025691 (E_RNA) where: Base-Base interactions energy: -815.363 where: short stacking energy: -337.247 Base-Backbone interact. energy: -2.570 local terms energy: -369.092565 where: bonds (distance) C4'-P energy: -70.484 bonds (distance) P-C4' energy: -73.633 flat angles C4'-P-C4' energy: -70.572 flat angles P-C4'-P energy: -55.746 tors. eta vs tors. theta energy: -98.658 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: 3 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1117.115633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.115633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.115633 (E_RNA) where: Base-Base interactions energy: -755.553 where: short stacking energy: -325.257 Base-Backbone interact. energy: -1.338 local terms energy: -360.224873 where: bonds (distance) C4'-P energy: -68.462 bonds (distance) P-C4' energy: -63.482 flat angles C4'-P-C4' energy: -70.930 flat angles P-C4'-P energy: -53.537 tors. eta vs tors. theta energy: -103.814 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: 10 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1101.189222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.189222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.189222 (E_RNA) where: Base-Base interactions energy: -746.850 where: short stacking energy: -312.126 Base-Backbone interact. energy: -1.014 local terms energy: -353.325446 where: bonds (distance) C4'-P energy: -66.100 bonds (distance) P-C4' energy: -65.655 flat angles C4'-P-C4' energy: -68.878 flat angles P-C4'-P energy: -55.741 tors. eta vs tors. theta energy: -96.952 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: 1 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1076.568274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.568274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.568274 (E_RNA) where: Base-Base interactions energy: -742.220 where: short stacking energy: -307.175 Base-Backbone interact. energy: -1.306 local terms energy: -333.042256 where: bonds (distance) C4'-P energy: -69.192 bonds (distance) P-C4' energy: -62.899 flat angles C4'-P-C4' energy: -69.076 flat angles P-C4'-P energy: -43.690 tors. eta vs tors. theta energy: -88.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1029.336478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.336478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.336478 (E_RNA) where: Base-Base interactions energy: -712.419 where: short stacking energy: -289.223 Base-Backbone interact. energy: -1.413 local terms energy: -315.504854 where: bonds (distance) C4'-P energy: -64.281 bonds (distance) P-C4' energy: -57.544 flat angles C4'-P-C4' energy: -68.701 flat angles P-C4'-P energy: -38.463 tors. eta vs tors. theta energy: -86.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -906.810697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.810697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.810697 (E_RNA) where: Base-Base interactions energy: -608.833 where: short stacking energy: -255.981 Base-Backbone interact. energy: -0.450 local terms energy: -297.527759 where: bonds (distance) C4'-P energy: -65.497 bonds (distance) P-C4' energy: -51.356 flat angles C4'-P-C4' energy: -62.255 flat angles P-C4'-P energy: -38.380 tors. eta vs tors. theta energy: -80.040 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: 6 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -677.519528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.519528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.519528 (E_RNA) where: Base-Base interactions energy: -445.295 where: short stacking energy: -200.708 Base-Backbone interact. energy: -0.213 local terms energy: -232.011326 where: bonds (distance) C4'-P energy: -56.203 bonds (distance) P-C4' energy: -51.234 flat angles C4'-P-C4' energy: -50.145 flat angles P-C4'-P energy: -38.804 tors. eta vs tors. theta energy: -35.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -713.459904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.459904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.459904 (E_RNA) where: Base-Base interactions energy: -454.512 where: short stacking energy: -215.840 Base-Backbone interact. energy: 0.675 local terms energy: -259.623302 where: bonds (distance) C4'-P energy: -53.821 bonds (distance) P-C4' energy: -48.559 flat angles C4'-P-C4' energy: -56.843 flat angles P-C4'-P energy: -40.448 tors. eta vs tors. theta energy: -59.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -562.468179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.468179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.468179 (E_RNA) where: Base-Base interactions energy: -342.890 where: short stacking energy: -152.048 Base-Backbone interact. energy: -1.044 local terms energy: -218.534101 where: bonds (distance) C4'-P energy: -49.669 bonds (distance) P-C4' energy: -52.337 flat angles C4'-P-C4' energy: -61.885 flat angles P-C4'-P energy: -42.278 tors. eta vs tors. theta energy: -12.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -362.515496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.515496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.515496 (E_RNA) where: Base-Base interactions energy: -180.949 where: short stacking energy: -120.986 Base-Backbone interact. energy: -1.016 local terms energy: -180.550737 where: bonds (distance) C4'-P energy: -43.451 bonds (distance) P-C4' energy: -59.224 flat angles C4'-P-C4' energy: -43.304 flat angles P-C4'-P energy: -29.926 tors. eta vs tors. theta energy: -4.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1182.246553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.246553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.246553 (E_RNA) where: Base-Base interactions energy: -817.712 where: short stacking energy: -347.792 Base-Backbone interact. energy: -2.448 local terms energy: -362.086820 where: bonds (distance) C4'-P energy: -60.423 bonds (distance) P-C4' energy: -68.592 flat angles C4'-P-C4' energy: -76.303 flat angles P-C4'-P energy: -49.486 tors. eta vs tors. theta energy: -107.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1128.264746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.264746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.264746 (E_RNA) where: Base-Base interactions energy: -773.004 where: short stacking energy: -340.680 Base-Backbone interact. energy: -0.295 local terms energy: -354.965667 where: bonds (distance) C4'-P energy: -58.871 bonds (distance) P-C4' energy: -70.642 flat angles C4'-P-C4' energy: -69.164 flat angles P-C4'-P energy: -51.768 tors. eta vs tors. theta energy: -104.521 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: 401 Temperature: 1.000000 Total energy: -1090.869086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.869086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.869086 (E_RNA) where: Base-Base interactions energy: -752.292 where: short stacking energy: -322.340 Base-Backbone interact. energy: -1.894 local terms energy: -336.683655 where: bonds (distance) C4'-P energy: -71.197 bonds (distance) P-C4' energy: -60.809 flat angles C4'-P-C4' energy: -68.139 flat angles P-C4'-P energy: -37.235 tors. eta vs tors. theta energy: -99.304 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: 1 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1044.427842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.427842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.427842 (E_RNA) where: Base-Base interactions energy: -712.463 where: short stacking energy: -273.714 Base-Backbone interact. energy: -0.682 local terms energy: -331.282757 where: bonds (distance) C4'-P energy: -56.831 bonds (distance) P-C4' energy: -63.688 flat angles C4'-P-C4' energy: -70.423 flat angles P-C4'-P energy: -53.503 tors. eta vs tors. theta energy: -86.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1007.022246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.022246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.022246 (E_RNA) where: Base-Base interactions energy: -702.635 where: short stacking energy: -286.516 Base-Backbone interact. energy: -0.698 local terms energy: -303.688935 where: bonds (distance) C4'-P energy: -55.522 bonds (distance) P-C4' energy: -53.371 flat angles C4'-P-C4' energy: -66.857 flat angles P-C4'-P energy: -46.297 tors. eta vs tors. theta energy: -81.641 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: 4 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -899.271757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.271757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.271757 (E_RNA) where: Base-Base interactions energy: -614.106 where: short stacking energy: -258.306 Base-Backbone interact. energy: 7.131 local terms energy: -292.296936 where: bonds (distance) C4'-P energy: -60.274 bonds (distance) P-C4' energy: -62.895 flat angles C4'-P-C4' energy: -54.041 flat angles P-C4'-P energy: -45.808 tors. eta vs tors. theta energy: -69.279 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: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -712.787774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.787774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.787774 (E_RNA) where: Base-Base interactions energy: -465.312 where: short stacking energy: -199.416 Base-Backbone interact. energy: -0.889 local terms energy: -246.586979 where: bonds (distance) C4'-P energy: -46.179 bonds (distance) P-C4' energy: -51.713 flat angles C4'-P-C4' energy: -63.019 flat angles P-C4'-P energy: -44.645 tors. eta vs tors. theta energy: -41.030 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: 2 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -705.199016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.199016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.199016 (E_RNA) where: Base-Base interactions energy: -427.413 where: short stacking energy: -218.491 Base-Backbone interact. energy: -1.236 local terms energy: -276.550093 where: bonds (distance) C4'-P energy: -60.461 bonds (distance) P-C4' energy: -66.923 flat angles C4'-P-C4' energy: -57.772 flat angles P-C4'-P energy: -38.590 tors. eta vs tors. theta energy: -52.804 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: 5 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -570.714356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.714356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.714356 (E_RNA) where: Base-Base interactions energy: -357.383 where: short stacking energy: -167.521 Base-Backbone interact. energy: 0.215 local terms energy: -213.545730 where: bonds (distance) C4'-P energy: -55.027 bonds (distance) P-C4' energy: -53.750 flat angles C4'-P-C4' energy: -57.648 flat angles P-C4'-P energy: -19.794 tors. eta vs tors. theta energy: -27.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -373.570067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.570067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.570067 (E_RNA) where: Base-Base interactions energy: -197.864 where: short stacking energy: -112.138 Base-Backbone interact. energy: 0.164 local terms energy: -175.869757 where: bonds (distance) C4'-P energy: -39.600 bonds (distance) P-C4' energy: -62.113 flat angles C4'-P-C4' energy: -53.610 flat angles P-C4'-P energy: -25.095 tors. eta vs tors. theta energy: 4.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1153.450053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.450053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.450053 (E_RNA) where: Base-Base interactions energy: -783.017 where: short stacking energy: -365.975 Base-Backbone interact. energy: -2.194 local terms energy: -368.239570 where: bonds (distance) C4'-P energy: -61.992 bonds (distance) P-C4' energy: -70.037 flat angles C4'-P-C4' energy: -76.834 flat angles P-C4'-P energy: -55.289 tors. eta vs tors. theta energy: -104.087 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: 2, replica: 8 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1165.819576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.819576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.819576 (E_RNA) where: Base-Base interactions energy: -822.498 where: short stacking energy: -341.086 Base-Backbone interact. energy: -0.720 local terms energy: -342.602101 where: bonds (distance) C4'-P energy: -56.115 bonds (distance) P-C4' energy: -58.766 flat angles C4'-P-C4' energy: -71.594 flat angles P-C4'-P energy: -50.423 tors. eta vs tors. theta energy: -105.705 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: 1 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1049.711012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.711012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.711012 (E_RNA) where: Base-Base interactions energy: -750.087 where: short stacking energy: -290.686 Base-Backbone interact. energy: -1.505 local terms energy: -298.119839 where: bonds (distance) C4'-P energy: -52.717 bonds (distance) P-C4' energy: -56.412 flat angles C4'-P-C4' energy: -66.996 flat angles P-C4'-P energy: -45.057 tors. eta vs tors. theta energy: -76.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1069.842278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.842278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.842278 (E_RNA) where: Base-Base interactions energy: -751.294 where: short stacking energy: -311.267 Base-Backbone interact. energy: -1.317 local terms energy: -317.231504 where: bonds (distance) C4'-P energy: -48.030 bonds (distance) P-C4' energy: -56.269 flat angles C4'-P-C4' energy: -74.799 flat angles P-C4'-P energy: -50.782 tors. eta vs tors. theta energy: -87.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1010.185202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.185202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.185202 (E_RNA) where: Base-Base interactions energy: -685.619 where: short stacking energy: -291.608 Base-Backbone interact. energy: -0.610 local terms energy: -323.956527 where: bonds (distance) C4'-P energy: -62.882 bonds (distance) P-C4' energy: -58.875 flat angles C4'-P-C4' energy: -64.810 flat angles P-C4'-P energy: -50.736 tors. eta vs tors. theta energy: -86.654 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: 4 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -880.710854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.710854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.710854 (E_RNA) where: Base-Base interactions energy: -610.594 where: short stacking energy: -251.216 Base-Backbone interact. energy: -0.870 local terms energy: -269.246222 where: bonds (distance) C4'-P energy: -50.061 bonds (distance) P-C4' energy: -59.177 flat angles C4'-P-C4' energy: -66.745 flat angles P-C4'-P energy: -35.162 tors. eta vs tors. theta energy: -58.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -729.999535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.999535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.999535 (E_RNA) where: Base-Base interactions energy: -473.079 where: short stacking energy: -217.115 Base-Backbone interact. energy: -1.072 local terms energy: -255.849204 where: bonds (distance) C4'-P energy: -52.035 bonds (distance) P-C4' energy: -47.562 flat angles C4'-P-C4' energy: -64.570 flat angles P-C4'-P energy: -34.808 tors. eta vs tors. theta energy: -56.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -723.686373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.686373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.686373 (E_RNA) where: Base-Base interactions energy: -453.800 where: short stacking energy: -237.473 Base-Backbone interact. energy: -0.392 local terms energy: -269.494753 where: bonds (distance) C4'-P energy: -60.103 bonds (distance) P-C4' energy: -59.599 flat angles C4'-P-C4' energy: -56.411 flat angles P-C4'-P energy: -28.345 tors. eta vs tors. theta energy: -65.037 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: 5 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -573.792471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.792471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.792471 (E_RNA) where: Base-Base interactions energy: -366.960 where: short stacking energy: -195.221 Base-Backbone interact. energy: -0.684 local terms energy: -206.148111 where: bonds (distance) C4'-P energy: -47.852 bonds (distance) P-C4' energy: -35.836 flat angles C4'-P-C4' energy: -54.415 flat angles P-C4'-P energy: -33.585 tors. eta vs tors. theta energy: -34.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -360.768248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.768248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.768248 (E_RNA) where: Base-Base interactions energy: -175.442 where: short stacking energy: -96.593 Base-Backbone interact. energy: 0.034 local terms energy: -185.360394 where: bonds (distance) C4'-P energy: -57.769 bonds (distance) P-C4' energy: -58.115 flat angles C4'-P-C4' energy: -39.403 flat angles P-C4'-P energy: -35.810 tors. eta vs tors. theta energy: 5.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1133.783463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.783463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.783463 (E_RNA) where: Base-Base interactions energy: -768.869 where: short stacking energy: -349.075 Base-Backbone interact. energy: -0.442 local terms energy: -364.472966 where: bonds (distance) C4'-P energy: -70.424 bonds (distance) P-C4' energy: -66.680 flat angles C4'-P-C4' energy: -68.318 flat angles P-C4'-P energy: -50.811 tors. eta vs tors. theta energy: -108.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1154.160034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.160034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.160034 (E_RNA) where: Base-Base interactions energy: -821.353 where: short stacking energy: -348.699 Base-Backbone interact. energy: -0.708 local terms energy: -332.099517 where: bonds (distance) C4'-P energy: -59.190 bonds (distance) P-C4' energy: -47.535 flat angles C4'-P-C4' energy: -77.330 flat angles P-C4'-P energy: -46.291 tors. eta vs tors. theta energy: -101.754 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: 1 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1087.124123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.124123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.124123 (E_RNA) where: Base-Base interactions energy: -764.333 where: short stacking energy: -299.824 Base-Backbone interact. energy: 2.520 local terms energy: -325.311736 where: bonds (distance) C4'-P energy: -60.160 bonds (distance) P-C4' energy: -61.959 flat angles C4'-P-C4' energy: -72.411 flat angles P-C4'-P energy: -49.318 tors. eta vs tors. theta energy: -81.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1079.952779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.952779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.952779 (E_RNA) where: Base-Base interactions energy: -746.639 where: short stacking energy: -314.474 Base-Backbone interact. energy: -0.852 local terms energy: -332.461925 where: bonds (distance) C4'-P energy: -56.243 bonds (distance) P-C4' energy: -65.219 flat angles C4'-P-C4' energy: -73.781 flat angles P-C4'-P energy: -43.274 tors. eta vs tors. theta energy: -93.945 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: 5, replica: 9 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1005.641381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.641381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.641381 (E_RNA) where: Base-Base interactions energy: -694.785 where: short stacking energy: -281.879 Base-Backbone interact. energy: -0.927 local terms energy: -309.929634 where: bonds (distance) C4'-P energy: -64.900 bonds (distance) P-C4' energy: -63.117 flat angles C4'-P-C4' energy: -63.837 flat angles P-C4'-P energy: -37.615 tors. eta vs tors. theta energy: -80.460 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: 6, replica: 4 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -909.242915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.242915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.242915 (E_RNA) where: Base-Base interactions energy: -609.489 where: short stacking energy: -277.114 Base-Backbone interact. energy: -2.462 local terms energy: -297.291785 where: bonds (distance) C4'-P energy: -60.480 bonds (distance) P-C4' energy: -50.050 flat angles C4'-P-C4' energy: -61.500 flat angles P-C4'-P energy: -46.374 tors. eta vs tors. theta energy: -78.888 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: 7, replica: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -679.468119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.468119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.468119 (E_RNA) where: Base-Base interactions energy: -426.464 where: short stacking energy: -211.026 Base-Backbone interact. energy: -1.295 local terms energy: -251.708365 where: bonds (distance) C4'-P energy: -46.760 bonds (distance) P-C4' energy: -60.322 flat angles C4'-P-C4' energy: -66.984 flat angles P-C4'-P energy: -40.110 tors. eta vs tors. theta energy: -37.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -673.273889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.273889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.273889 (E_RNA) where: Base-Base interactions energy: -414.407 where: short stacking energy: -187.222 Base-Backbone interact. energy: 0.503 local terms energy: -259.369921 where: bonds (distance) C4'-P energy: -54.085 bonds (distance) P-C4' energy: -58.975 flat angles C4'-P-C4' energy: -60.193 flat angles P-C4'-P energy: -36.183 tors. eta vs tors. theta energy: -49.934 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: 5 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -559.279283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.279283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.279283 (E_RNA) where: Base-Base interactions energy: -359.172 where: short stacking energy: -170.227 Base-Backbone interact. energy: 0.590 local terms energy: -200.696813 where: bonds (distance) C4'-P energy: -44.752 bonds (distance) P-C4' energy: -50.622 flat angles C4'-P-C4' energy: -53.216 flat angles P-C4'-P energy: -32.520 tors. eta vs tors. theta energy: -19.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -406.198936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.198936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.198936 (E_RNA) where: Base-Base interactions energy: -209.615 where: short stacking energy: -112.310 Base-Backbone interact. energy: -4.339 local terms energy: -192.244367 where: bonds (distance) C4'-P energy: -50.576 bonds (distance) P-C4' energy: -52.831 flat angles C4'-P-C4' energy: -48.133 flat angles P-C4'-P energy: -30.832 tors. eta vs tors. theta energy: -9.873 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: 1, replica: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1177.834619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.834619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.834619 (E_RNA) where: Base-Base interactions energy: -825.570 where: short stacking energy: -339.248 Base-Backbone interact. energy: -1.189 local terms energy: -351.074904 where: bonds (distance) C4'-P energy: -60.169 bonds (distance) P-C4' energy: -63.741 flat angles C4'-P-C4' energy: -77.374 flat angles P-C4'-P energy: -52.578 tors. eta vs tors. theta energy: -97.213 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: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1126.111743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.111743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.111743 (E_RNA) where: Base-Base interactions energy: -787.404 where: short stacking energy: -352.341 Base-Backbone interact. energy: -0.499 local terms energy: -338.208143 where: bonds (distance) C4'-P energy: -58.534 bonds (distance) P-C4' energy: -49.612 flat angles C4'-P-C4' energy: -73.534 flat angles P-C4'-P energy: -52.701 tors. eta vs tors. theta energy: -103.828 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: 10 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1101.270488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.270488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.270488 (E_RNA) where: Base-Base interactions energy: -770.541 where: short stacking energy: -318.985 Base-Backbone interact. energy: -1.740 local terms energy: -328.989521 where: bonds (distance) C4'-P energy: -60.934 bonds (distance) P-C4' energy: -56.555 flat angles C4'-P-C4' energy: -68.342 flat angles P-C4'-P energy: -44.428 tors. eta vs tors. theta energy: -98.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1043.459780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.459780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.459780 (E_RNA) where: Base-Base interactions energy: -743.331 where: short stacking energy: -284.852 Base-Backbone interact. energy: -2.719 local terms energy: -297.409674 where: bonds (distance) C4'-P energy: -63.304 bonds (distance) P-C4' energy: -51.701 flat angles C4'-P-C4' energy: -56.716 flat angles P-C4'-P energy: -48.818 tors. eta vs tors. theta energy: -76.871 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: 404 Temperature: 1.100000 Total energy: -1003.581488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.581488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.581488 (E_RNA) where: Base-Base interactions energy: -694.395 where: short stacking energy: -290.662 Base-Backbone interact. energy: 3.163 local terms energy: -312.349437 where: bonds (distance) C4'-P energy: -60.623 bonds (distance) P-C4' energy: -68.810 flat angles C4'-P-C4' energy: -68.549 flat angles P-C4'-P energy: -37.124 tors. eta vs tors. theta energy: -77.243 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: 4 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -884.138397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.138397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.138397 (E_RNA) where: Base-Base interactions energy: -597.958 where: short stacking energy: -250.545 Base-Backbone interact. energy: -0.345 local terms energy: -285.835034 where: bonds (distance) C4'-P energy: -65.383 bonds (distance) P-C4' energy: -60.241 flat angles C4'-P-C4' energy: -56.743 flat angles P-C4'-P energy: -35.173 tors. eta vs tors. theta energy: -68.295 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: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -675.952796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.952796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.952796 (E_RNA) where: Base-Base interactions energy: -441.687 where: short stacking energy: -209.234 Base-Backbone interact. energy: -0.945 local terms energy: -233.320357 where: bonds (distance) C4'-P energy: -60.045 bonds (distance) P-C4' energy: -62.915 flat angles C4'-P-C4' energy: -44.018 flat angles P-C4'-P energy: -24.472 tors. eta vs tors. theta energy: -41.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -624.558268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.558268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.558268 (E_RNA) where: Base-Base interactions energy: -383.522 where: short stacking energy: -177.556 Base-Backbone interact. energy: 2.799 local terms energy: -243.835764 where: bonds (distance) C4'-P energy: -46.877 bonds (distance) P-C4' energy: -67.885 flat angles C4'-P-C4' energy: -65.328 flat angles P-C4'-P energy: -31.280 tors. eta vs tors. theta energy: -32.466 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: 5 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -561.059274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.059274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.059274 (E_RNA) where: Base-Base interactions energy: -349.448 where: short stacking energy: -162.628 Base-Backbone interact. energy: -0.076 local terms energy: -211.535032 where: bonds (distance) C4'-P energy: -52.815 bonds (distance) P-C4' energy: -50.321 flat angles C4'-P-C4' energy: -50.876 flat angles P-C4'-P energy: -39.038 tors. eta vs tors. theta energy: -18.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -438.750610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.750610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.750610 (E_RNA) where: Base-Base interactions energy: -240.789 where: short stacking energy: -132.177 Base-Backbone interact. energy: -2.288 local terms energy: -195.673113 where: bonds (distance) C4'-P energy: -53.683 bonds (distance) P-C4' energy: -52.017 flat angles C4'-P-C4' energy: -58.392 flat angles P-C4'-P energy: -24.296 tors. eta vs tors. theta energy: -7.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1182.179226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.179226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.179226 (E_RNA) where: Base-Base interactions energy: -818.413 where: short stacking energy: -337.030 Base-Backbone interact. energy: -1.826 local terms energy: -361.939727 where: bonds (distance) C4'-P energy: -63.764 bonds (distance) P-C4' energy: -71.956 flat angles C4'-P-C4' energy: -74.655 flat angles P-C4'-P energy: -54.278 tors. eta vs tors. theta energy: -97.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1134.569582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.569582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.569582 (E_RNA) where: Base-Base interactions energy: -776.937 where: short stacking energy: -357.497 Base-Backbone interact. energy: -0.499 local terms energy: -357.133206 where: bonds (distance) C4'-P energy: -64.531 bonds (distance) P-C4' energy: -55.036 flat angles C4'-P-C4' energy: -74.765 flat angles P-C4'-P energy: -53.519 tors. eta vs tors. theta energy: -109.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1115.517208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.517208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.517208 (E_RNA) where: Base-Base interactions energy: -767.262 where: short stacking energy: -335.691 Base-Backbone interact. energy: -1.136 local terms energy: -347.119057 where: bonds (distance) C4'-P energy: -64.152 bonds (distance) P-C4' energy: -64.660 flat angles C4'-P-C4' energy: -70.791 flat angles P-C4'-P energy: -51.570 tors. eta vs tors. theta energy: -95.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1056.646250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.646250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.646250 (E_RNA) where: Base-Base interactions energy: -718.781 where: short stacking energy: -301.843 Base-Backbone interact. energy: -0.674 local terms energy: -337.191458 where: bonds (distance) C4'-P energy: -61.328 bonds (distance) P-C4' energy: -58.391 flat angles C4'-P-C4' energy: -73.280 flat angles P-C4'-P energy: -50.189 tors. eta vs tors. theta energy: -94.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1023.426592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.426592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.426592 (E_RNA) where: Base-Base interactions energy: -707.252 where: short stacking energy: -285.464 Base-Backbone interact. energy: -1.004 local terms energy: -315.170741 where: bonds (distance) C4'-P energy: -63.652 bonds (distance) P-C4' energy: -57.364 flat angles C4'-P-C4' energy: -71.431 flat angles P-C4'-P energy: -42.829 tors. eta vs tors. theta energy: -79.896 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: 4 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -877.214200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.214200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.214200 (E_RNA) where: Base-Base interactions energy: -603.094 where: short stacking energy: -253.100 Base-Backbone interact. energy: -3.036 local terms energy: -271.083893 where: bonds (distance) C4'-P energy: -56.793 bonds (distance) P-C4' energy: -52.037 flat angles C4'-P-C4' energy: -62.188 flat angles P-C4'-P energy: -34.047 tors. eta vs tors. theta energy: -66.019 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: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -714.650235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.650235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.650235 (E_RNA) where: Base-Base interactions energy: -455.998 where: short stacking energy: -204.621 Base-Backbone interact. energy: -1.371 local terms energy: -257.280860 where: bonds (distance) C4'-P energy: -62.945 bonds (distance) P-C4' energy: -47.730 flat angles C4'-P-C4' energy: -59.674 flat angles P-C4'-P energy: -40.856 tors. eta vs tors. theta energy: -46.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -588.377652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.377652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.377652 (E_RNA) where: Base-Base interactions energy: -381.135 where: short stacking energy: -163.850 Base-Backbone interact. energy: -0.138 local terms energy: -207.104716 where: bonds (distance) C4'-P energy: -60.683 bonds (distance) P-C4' energy: -50.483 flat angles C4'-P-C4' energy: -45.656 flat angles P-C4'-P energy: -30.072 tors. eta vs tors. theta energy: -20.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -572.975156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.975156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.975156 (E_RNA) where: Base-Base interactions energy: -369.909 where: short stacking energy: -190.515 Base-Backbone interact. energy: -1.176 local terms energy: -201.890520 where: bonds (distance) C4'-P energy: -32.315 bonds (distance) P-C4' energy: -47.926 flat angles C4'-P-C4' energy: -54.649 flat angles P-C4'-P energy: -33.806 tors. eta vs tors. theta energy: -33.194 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: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -429.901374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.901374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.901374 (E_RNA) where: Base-Base interactions energy: -242.576 where: short stacking energy: -120.942 Base-Backbone interact. energy: 1.439 local terms energy: -188.764794 where: bonds (distance) C4'-P energy: -61.367 bonds (distance) P-C4' energy: -55.597 flat angles C4'-P-C4' energy: -55.481 flat angles P-C4'-P energy: -9.573 tors. eta vs tors. theta energy: -6.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1171.757099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.757099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.757099 (E_RNA) where: Base-Base interactions energy: -816.711 where: short stacking energy: -349.379 Base-Backbone interact. energy: 0.059 local terms energy: -355.104976 where: bonds (distance) C4'-P energy: -70.173 bonds (distance) P-C4' energy: -59.687 flat angles C4'-P-C4' energy: -75.584 flat angles P-C4'-P energy: -55.830 tors. eta vs tors. theta energy: -93.832 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: 3 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1078.724933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.724933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.724933 (E_RNA) where: Base-Base interactions energy: -729.194 where: short stacking energy: -335.878 Base-Backbone interact. energy: -0.330 local terms energy: -349.201311 where: bonds (distance) C4'-P energy: -61.543 bonds (distance) P-C4' energy: -60.443 flat angles C4'-P-C4' energy: -77.027 flat angles P-C4'-P energy: -47.699 tors. eta vs tors. theta energy: -102.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1110.249540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.249540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.249540 (E_RNA) where: Base-Base interactions energy: -784.867 where: short stacking energy: -325.830 Base-Backbone interact. energy: 3.237 local terms energy: -328.620182 where: bonds (distance) C4'-P energy: -50.740 bonds (distance) P-C4' energy: -65.799 flat angles C4'-P-C4' energy: -65.539 flat angles P-C4'-P energy: -49.749 tors. eta vs tors. theta energy: -96.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1058.681894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.681894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.681894 (E_RNA) where: Base-Base interactions energy: -744.244 where: short stacking energy: -311.084 Base-Backbone interact. energy: -2.019 local terms energy: -312.418477 where: bonds (distance) C4'-P energy: -54.977 bonds (distance) P-C4' energy: -61.253 flat angles C4'-P-C4' energy: -64.318 flat angles P-C4'-P energy: -46.184 tors. eta vs tors. theta energy: -85.687 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: 9 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1026.217908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.217908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.217908 (E_RNA) where: Base-Base interactions energy: -712.934 where: short stacking energy: -293.687 Base-Backbone interact. energy: -0.587 local terms energy: -312.696547 where: bonds (distance) C4'-P energy: -56.176 bonds (distance) P-C4' energy: -56.201 flat angles C4'-P-C4' energy: -61.162 flat angles P-C4'-P energy: -54.059 tors. eta vs tors. theta energy: -85.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -882.570869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.570869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.570869 (E_RNA) where: Base-Base interactions energy: -586.075 where: short stacking energy: -255.642 Base-Backbone interact. energy: 2.740 local terms energy: -299.236335 where: bonds (distance) C4'-P energy: -59.812 bonds (distance) P-C4' energy: -59.998 flat angles C4'-P-C4' energy: -66.315 flat angles P-C4'-P energy: -41.126 tors. eta vs tors. theta energy: -71.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -697.136546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.136546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.136546 (E_RNA) where: Base-Base interactions energy: -439.188 where: short stacking energy: -198.567 Base-Backbone interact. energy: -1.225 local terms energy: -256.723953 where: bonds (distance) C4'-P energy: -49.221 bonds (distance) P-C4' energy: -62.357 flat angles C4'-P-C4' energy: -61.444 flat angles P-C4'-P energy: -38.055 tors. eta vs tors. theta energy: -45.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -570.274839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.274839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.274839 (E_RNA) where: Base-Base interactions energy: -350.271 where: short stacking energy: -150.624 Base-Backbone interact. energy: 1.367 local terms energy: -221.370072 where: bonds (distance) C4'-P energy: -55.771 bonds (distance) P-C4' energy: -57.736 flat angles C4'-P-C4' energy: -55.281 flat angles P-C4'-P energy: -33.831 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: 9, replica: 2 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -576.903304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.903304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.903304 (E_RNA) where: Base-Base interactions energy: -353.642 where: short stacking energy: -164.157 Base-Backbone interact. energy: 1.047 local terms energy: -224.308379 where: bonds (distance) C4'-P energy: -45.840 bonds (distance) P-C4' energy: -60.006 flat angles C4'-P-C4' energy: -39.025 flat angles P-C4'-P energy: -39.019 tors. eta vs tors. theta energy: -40.419 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: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -438.541146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.541146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.541146 (E_RNA) where: Base-Base interactions energy: -252.242 where: short stacking energy: -123.227 Base-Backbone interact. energy: -1.138 local terms energy: -185.161851 where: bonds (distance) C4'-P energy: -56.562 bonds (distance) P-C4' energy: -54.538 flat angles C4'-P-C4' energy: -40.421 flat angles P-C4'-P energy: -31.398 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: 1, replica: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1183.884483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.884483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.884483 (E_RNA) where: Base-Base interactions energy: -812.421 where: short stacking energy: -351.365 Base-Backbone interact. energy: -1.962 local terms energy: -369.501622 where: bonds (distance) C4'-P energy: -66.093 bonds (distance) P-C4' energy: -68.313 flat angles C4'-P-C4' energy: -76.734 flat angles P-C4'-P energy: -50.525 tors. eta vs tors. theta energy: -107.837 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: 2, replica: 10 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1132.507457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.507457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.507457 (E_RNA) where: Base-Base interactions energy: -791.477 where: short stacking energy: -335.283 Base-Backbone interact. energy: -1.362 local terms energy: -339.668662 where: bonds (distance) C4'-P energy: -62.908 bonds (distance) P-C4' energy: -61.833 flat angles C4'-P-C4' energy: -76.560 flat angles P-C4'-P energy: -43.046 tors. eta vs tors. theta energy: -95.322 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: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1104.342550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.342550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.342550 (E_RNA) where: Base-Base interactions energy: -744.438 where: short stacking energy: -343.202 Base-Backbone interact. energy: -0.675 local terms energy: -359.229751 where: bonds (distance) C4'-P energy: -62.290 bonds (distance) P-C4' energy: -60.551 flat angles C4'-P-C4' energy: -75.314 flat angles P-C4'-P energy: -54.401 tors. eta vs tors. theta energy: -106.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1046.728237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.728237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.728237 (E_RNA) where: Base-Base interactions energy: -734.042 where: short stacking energy: -294.089 Base-Backbone interact. energy: -1.243 local terms energy: -311.443011 where: bonds (distance) C4'-P energy: -56.221 bonds (distance) P-C4' energy: -67.351 flat angles C4'-P-C4' energy: -58.155 flat angles P-C4'-P energy: -47.472 tors. eta vs tors. theta energy: -82.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1003.130445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.130445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.130445 (E_RNA) where: Base-Base interactions energy: -691.062 where: short stacking energy: -281.481 Base-Backbone interact. energy: -0.335 local terms energy: -311.733000 where: bonds (distance) C4'-P energy: -38.793 bonds (distance) P-C4' energy: -72.668 flat angles C4'-P-C4' energy: -72.434 flat angles P-C4'-P energy: -42.864 tors. eta vs tors. theta energy: -84.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -863.413435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.413435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.413435 (E_RNA) where: Base-Base interactions energy: -560.418 where: short stacking energy: -225.163 Base-Backbone interact. energy: 0.254 local terms energy: -303.249708 where: bonds (distance) C4'-P energy: -60.991 bonds (distance) P-C4' energy: -55.695 flat angles C4'-P-C4' energy: -70.840 flat angles P-C4'-P energy: -52.263 tors. eta vs tors. theta energy: -63.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -723.815558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.815558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.815558 (E_RNA) where: Base-Base interactions energy: -458.602 where: short stacking energy: -213.279 Base-Backbone interact. energy: -2.847 local terms energy: -262.365769 where: bonds (distance) C4'-P energy: -60.721 bonds (distance) P-C4' energy: -53.025 flat angles C4'-P-C4' energy: -56.737 flat angles P-C4'-P energy: -35.094 tors. eta vs tors. theta energy: -56.788 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: 5 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -582.773682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.773682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.773682 (E_RNA) where: Base-Base interactions energy: -373.733 where: short stacking energy: -167.284 Base-Backbone interact. energy: -2.711 local terms energy: -206.330119 where: bonds (distance) C4'-P energy: -33.283 bonds (distance) P-C4' energy: -53.008 flat angles C4'-P-C4' energy: -67.630 flat angles P-C4'-P energy: -36.586 tors. eta vs tors. theta energy: -15.823 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: 2 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -573.623756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.623756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.623756 (E_RNA) where: Base-Base interactions energy: -359.658 where: short stacking energy: -170.386 Base-Backbone interact. energy: -1.896 local terms energy: -212.069051 where: bonds (distance) C4'-P energy: -54.144 bonds (distance) P-C4' energy: -40.970 flat angles C4'-P-C4' energy: -51.612 flat angles P-C4'-P energy: -26.938 tors. eta vs tors. theta energy: -38.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -465.709643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.709643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.709643 (E_RNA) where: Base-Base interactions energy: -278.999 where: short stacking energy: -125.491 Base-Backbone interact. energy: 1.768 local terms energy: -188.478734 where: bonds (distance) C4'-P energy: -49.969 bonds (distance) P-C4' energy: -58.451 flat angles C4'-P-C4' energy: -39.825 flat angles P-C4'-P energy: -27.805 tors. eta vs tors. theta energy: -12.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1190.405416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.405416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.405416 (E_RNA) where: Base-Base interactions energy: -817.042 where: short stacking energy: -343.204 Base-Backbone interact. energy: -0.608 local terms energy: -372.755771 where: bonds (distance) C4'-P energy: -69.068 bonds (distance) P-C4' energy: -76.108 flat angles C4'-P-C4' energy: -70.611 flat angles P-C4'-P energy: -57.771 tors. eta vs tors. theta energy: -99.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1132.071071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.071071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.071071 (E_RNA) where: Base-Base interactions energy: -779.521 where: short stacking energy: -321.544 Base-Backbone interact. energy: -1.862 local terms energy: -350.688373 where: bonds (distance) C4'-P energy: -67.463 bonds (distance) P-C4' energy: -70.949 flat angles C4'-P-C4' energy: -66.674 flat angles P-C4'-P energy: -51.589 tors. eta vs tors. theta energy: -94.013 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: 3, replica: 1 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1070.115874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.115874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.115874 (E_RNA) where: Base-Base interactions energy: -754.937 where: short stacking energy: -315.652 Base-Backbone interact. energy: -0.808 local terms energy: -314.370543 where: bonds (distance) C4'-P energy: -52.096 bonds (distance) P-C4' energy: -53.449 flat angles C4'-P-C4' energy: -73.472 flat angles P-C4'-P energy: -44.559 tors. eta vs tors. theta energy: -90.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1046.755030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.755030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.755030 (E_RNA) where: Base-Base interactions energy: -699.842 where: short stacking energy: -311.182 Base-Backbone interact. energy: -0.827 local terms energy: -346.085838 where: bonds (distance) C4'-P energy: -65.139 bonds (distance) P-C4' energy: -70.241 flat angles C4'-P-C4' energy: -70.533 flat angles P-C4'-P energy: -44.846 tors. eta vs tors. theta energy: -95.327 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: 5, replica: 9 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1009.277071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.277071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.277071 (E_RNA) where: Base-Base interactions energy: -717.672 where: short stacking energy: -292.463 Base-Backbone interact. energy: 0.513 local terms energy: -292.117492 where: bonds (distance) C4'-P energy: -47.976 bonds (distance) P-C4' energy: -57.680 flat angles C4'-P-C4' energy: -73.280 flat angles P-C4'-P energy: -31.803 tors. eta vs tors. theta energy: -81.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -900.174306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.174306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.174306 (E_RNA) where: Base-Base interactions energy: -601.079 where: short stacking energy: -264.458 Base-Backbone interact. energy: -2.789 local terms energy: -296.306755 where: bonds (distance) C4'-P energy: -52.633 bonds (distance) P-C4' energy: -62.963 flat angles C4'-P-C4' energy: -69.418 flat angles P-C4'-P energy: -37.766 tors. eta vs tors. theta energy: -73.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -767.076090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.076090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.076090 (E_RNA) where: Base-Base interactions energy: -505.205 where: short stacking energy: -229.156 Base-Backbone interact. energy: -0.881 local terms energy: -260.990948 where: bonds (distance) C4'-P energy: -55.940 bonds (distance) P-C4' energy: -52.592 flat angles C4'-P-C4' energy: -59.961 flat angles P-C4'-P energy: -36.151 tors. eta vs tors. theta energy: -56.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -588.269763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.269763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.269763 (E_RNA) where: Base-Base interactions energy: -360.914 where: short stacking energy: -167.132 Base-Backbone interact. energy: -0.891 local terms energy: -226.464651 where: bonds (distance) C4'-P energy: -56.526 bonds (distance) P-C4' energy: -57.776 flat angles C4'-P-C4' energy: -49.121 flat angles P-C4'-P energy: -38.109 tors. eta vs tors. theta energy: -24.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -541.487511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.487511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.487511 (E_RNA) where: Base-Base interactions energy: -321.549 where: short stacking energy: -168.516 Base-Backbone interact. energy: -0.713 local terms energy: -219.225147 where: bonds (distance) C4'-P energy: -43.946 bonds (distance) P-C4' energy: -61.252 flat angles C4'-P-C4' energy: -50.927 flat angles P-C4'-P energy: -36.249 tors. eta vs tors. theta energy: -26.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -463.554596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.554596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.554596 (E_RNA) where: Base-Base interactions energy: -276.713 where: short stacking energy: -112.967 Base-Backbone interact. energy: 5.392 local terms energy: -192.233843 where: bonds (distance) C4'-P energy: -61.473 bonds (distance) P-C4' energy: -61.706 flat angles C4'-P-C4' energy: -36.480 flat angles P-C4'-P energy: -25.353 tors. eta vs tors. theta energy: -7.222 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: 8 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1198.777825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.777825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.777825 (E_RNA) where: Base-Base interactions energy: -835.075 where: short stacking energy: -352.456 Base-Backbone interact. energy: -2.217 local terms energy: -361.486630 where: bonds (distance) C4'-P energy: -66.061 bonds (distance) P-C4' energy: -68.775 flat angles C4'-P-C4' energy: -77.691 flat angles P-C4'-P energy: -50.250 tors. eta vs tors. theta energy: -98.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1129.700329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.700329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.700329 (E_RNA) where: Base-Base interactions energy: -793.983 where: short stacking energy: -331.997 Base-Backbone interact. energy: 0.032 local terms energy: -335.748747 where: bonds (distance) C4'-P energy: -63.005 bonds (distance) P-C4' energy: -62.719 flat angles C4'-P-C4' energy: -65.212 flat angles P-C4'-P energy: -50.280 tors. eta vs tors. theta energy: -94.533 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: 1 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1126.484480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.484480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.484480 (E_RNA) where: Base-Base interactions energy: -788.488 where: short stacking energy: -319.212 Base-Backbone interact. energy: 0.570 local terms energy: -338.565648 where: bonds (distance) C4'-P energy: -55.759 bonds (distance) P-C4' energy: -64.137 flat angles C4'-P-C4' energy: -79.844 flat angles P-C4'-P energy: -41.574 tors. eta vs tors. theta energy: -97.252 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: 3 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1037.974955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.974955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.974955 (E_RNA) where: Base-Base interactions energy: -730.967 where: short stacking energy: -351.035 Base-Backbone interact. energy: -1.610 local terms energy: -305.397980 where: bonds (distance) C4'-P energy: -43.391 bonds (distance) P-C4' energy: -53.676 flat angles C4'-P-C4' energy: -72.911 flat angles P-C4'-P energy: -39.695 tors. eta vs tors. theta energy: -95.725 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: 9 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1006.341290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.341290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.341290 (E_RNA) where: Base-Base interactions energy: -699.867 where: short stacking energy: -295.413 Base-Backbone interact. energy: -0.984 local terms energy: -305.490237 where: bonds (distance) C4'-P energy: -58.402 bonds (distance) P-C4' energy: -47.408 flat angles C4'-P-C4' energy: -62.824 flat angles P-C4'-P energy: -44.664 tors. eta vs tors. theta energy: -92.193 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: 4 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -879.307671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.307671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.307671 (E_RNA) where: Base-Base interactions energy: -593.532 where: short stacking energy: -263.978 Base-Backbone interact. energy: -2.107 local terms energy: -283.668671 where: bonds (distance) C4'-P energy: -56.595 bonds (distance) P-C4' energy: -59.787 flat angles C4'-P-C4' energy: -57.210 flat angles P-C4'-P energy: -41.514 tors. eta vs tors. theta energy: -68.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -746.351085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.351085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.351085 (E_RNA) where: Base-Base interactions energy: -479.175 where: short stacking energy: -223.167 Base-Backbone interact. energy: -1.400 local terms energy: -265.775869 where: bonds (distance) C4'-P energy: -43.229 bonds (distance) P-C4' energy: -56.932 flat angles C4'-P-C4' energy: -65.521 flat angles P-C4'-P energy: -43.637 tors. eta vs tors. theta energy: -56.456 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: 5 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -598.140421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.140421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.140421 (E_RNA) where: Base-Base interactions energy: -376.083 where: short stacking energy: -171.705 Base-Backbone interact. energy: -0.357 local terms energy: -221.700333 where: bonds (distance) C4'-P energy: -52.024 bonds (distance) P-C4' energy: -66.816 flat angles C4'-P-C4' energy: -50.535 flat angles P-C4'-P energy: -27.533 tors. eta vs tors. theta energy: -24.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -487.568675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.568675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.568675 (E_RNA) where: Base-Base interactions energy: -280.230 where: short stacking energy: -151.256 Base-Backbone interact. energy: 4.917 local terms energy: -212.256166 where: bonds (distance) C4'-P energy: -58.795 bonds (distance) P-C4' energy: -50.911 flat angles C4'-P-C4' energy: -53.567 flat angles P-C4'-P energy: -31.191 tors. eta vs tors. theta energy: -17.792 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: 7 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -419.608752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.608752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.608752 (E_RNA) where: Base-Base interactions energy: -218.054 where: short stacking energy: -113.543 Base-Backbone interact. energy: -1.891 local terms energy: -199.664187 where: bonds (distance) C4'-P energy: -56.487 bonds (distance) P-C4' energy: -67.138 flat angles C4'-P-C4' energy: -40.402 flat angles P-C4'-P energy: -32.514 tors. eta vs tors. theta energy: -3.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1176.901838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.901838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.901838 (E_RNA) where: Base-Base interactions energy: -828.865 where: short stacking energy: -345.223 Base-Backbone interact. energy: -0.308 local terms energy: -347.728700 where: bonds (distance) C4'-P energy: -60.106 bonds (distance) P-C4' energy: -63.684 flat angles C4'-P-C4' energy: -73.557 flat angles P-C4'-P energy: -51.422 tors. eta vs tors. theta energy: -98.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1136.145633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.145633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.145633 (E_RNA) where: Base-Base interactions energy: -784.724 where: short stacking energy: -339.933 Base-Backbone interact. energy: -1.614 local terms energy: -349.807116 where: bonds (distance) C4'-P energy: -64.214 bonds (distance) P-C4' energy: -56.910 flat angles C4'-P-C4' energy: -74.860 flat angles P-C4'-P energy: -55.380 tors. eta vs tors. theta energy: -98.442 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: 1 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1118.959785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.959785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.959785 (E_RNA) where: Base-Base interactions energy: -783.890 where: short stacking energy: -307.719 Base-Backbone interact. energy: -3.041 local terms energy: -332.029180 where: bonds (distance) C4'-P energy: -57.764 bonds (distance) P-C4' energy: -64.352 flat angles C4'-P-C4' energy: -75.733 flat angles P-C4'-P energy: -49.308 tors. eta vs tors. theta energy: -84.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1064.071243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.071243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.071243 (E_RNA) where: Base-Base interactions energy: -716.431 where: short stacking energy: -309.074 Base-Backbone interact. energy: -1.761 local terms energy: -345.879364 where: bonds (distance) C4'-P energy: -61.783 bonds (distance) P-C4' energy: -61.269 flat angles C4'-P-C4' energy: -75.349 flat angles P-C4'-P energy: -46.784 tors. eta vs tors. theta energy: -100.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1011.175871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.175871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.175871 (E_RNA) where: Base-Base interactions energy: -696.226 where: short stacking energy: -268.170 Base-Backbone interact. energy: -2.901 local terms energy: -312.048996 where: bonds (distance) C4'-P energy: -55.539 bonds (distance) P-C4' energy: -65.779 flat angles C4'-P-C4' energy: -74.813 flat angles P-C4'-P energy: -38.134 tors. eta vs tors. theta energy: -77.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -911.244614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.244614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.244614 (E_RNA) where: Base-Base interactions energy: -621.127 where: short stacking energy: -260.412 Base-Backbone interact. energy: 0.579 local terms energy: -290.696311 where: bonds (distance) C4'-P energy: -56.365 bonds (distance) P-C4' energy: -57.221 flat angles C4'-P-C4' energy: -66.642 flat angles P-C4'-P energy: -41.531 tors. eta vs tors. theta energy: -68.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -742.011486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.011486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.011486 (E_RNA) where: Base-Base interactions energy: -493.397 where: short stacking energy: -220.442 Base-Backbone interact. energy: -0.024 local terms energy: -248.589688 where: bonds (distance) C4'-P energy: -56.229 bonds (distance) P-C4' energy: -68.275 flat angles C4'-P-C4' energy: -48.456 flat angles P-C4'-P energy: -26.218 tors. eta vs tors. theta energy: -49.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -583.293247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.293247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.293247 (E_RNA) where: Base-Base interactions energy: -363.283 where: short stacking energy: -179.442 Base-Backbone interact. energy: -1.065 local terms energy: -218.945404 where: bonds (distance) C4'-P energy: -61.190 bonds (distance) P-C4' energy: -54.151 flat angles C4'-P-C4' energy: -43.198 flat angles P-C4'-P energy: -30.142 tors. eta vs tors. theta energy: -30.264 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: 2 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -514.723488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.723488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.723488 (E_RNA) where: Base-Base interactions energy: -287.623 where: short stacking energy: -148.176 Base-Backbone interact. energy: -1.120 local terms energy: -225.979992 where: bonds (distance) C4'-P energy: -65.703 bonds (distance) P-C4' energy: -59.654 flat angles C4'-P-C4' energy: -45.374 flat angles P-C4'-P energy: -25.209 tors. eta vs tors. theta energy: -30.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -404.756680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.756680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.756680 (E_RNA) where: Base-Base interactions energy: -231.482 where: short stacking energy: -115.165 Base-Backbone interact. energy: -0.793 local terms energy: -172.481715 where: bonds (distance) C4'-P energy: -48.660 bonds (distance) P-C4' energy: -40.618 flat angles C4'-P-C4' energy: -46.032 flat angles P-C4'-P energy: -27.782 tors. eta vs tors. theta energy: -9.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1187.246837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.246837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.246837 (E_RNA) where: Base-Base interactions energy: -827.501 where: short stacking energy: -342.981 Base-Backbone interact. energy: -3.394 local terms energy: -356.351046 where: bonds (distance) C4'-P energy: -63.923 bonds (distance) P-C4' energy: -69.519 flat angles C4'-P-C4' energy: -67.259 flat angles P-C4'-P energy: -58.960 tors. eta vs tors. theta energy: -96.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1117.854555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.854555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.854555 (E_RNA) where: Base-Base interactions energy: -778.212 where: short stacking energy: -323.191 Base-Backbone interact. energy: -1.777 local terms energy: -337.866022 where: bonds (distance) C4'-P energy: -53.992 bonds (distance) P-C4' energy: -67.637 flat angles C4'-P-C4' energy: -77.232 flat angles P-C4'-P energy: -49.993 tors. eta vs tors. theta energy: -89.013 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: 3, replica: 1 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1117.804833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.804833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.804833 (E_RNA) where: Base-Base interactions energy: -796.496 where: short stacking energy: -327.532 Base-Backbone interact. energy: -1.428 local terms energy: -319.880935 where: bonds (distance) C4'-P energy: -58.298 bonds (distance) P-C4' energy: -51.159 flat angles C4'-P-C4' energy: -74.041 flat angles P-C4'-P energy: -43.675 tors. eta vs tors. theta energy: -92.708 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: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1055.789197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.789197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.789197 (E_RNA) where: Base-Base interactions energy: -733.006 where: short stacking energy: -307.269 Base-Backbone interact. energy: -0.923 local terms energy: -321.860400 where: bonds (distance) C4'-P energy: -59.665 bonds (distance) P-C4' energy: -54.892 flat angles C4'-P-C4' energy: -71.182 flat angles P-C4'-P energy: -49.730 tors. eta vs tors. theta energy: -86.390 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: 5, replica: 3 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1029.536459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.536459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.536459 (E_RNA) where: Base-Base interactions energy: -685.047 where: short stacking energy: -304.250 Base-Backbone interact. energy: -0.933 local terms energy: -343.556764 where: bonds (distance) C4'-P energy: -60.875 bonds (distance) P-C4' energy: -66.505 flat angles C4'-P-C4' energy: -66.858 flat angles P-C4'-P energy: -52.777 tors. eta vs tors. theta energy: -96.542 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: 4 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -955.230743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.230743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.230743 (E_RNA) where: Base-Base interactions energy: -654.497 where: short stacking energy: -276.816 Base-Backbone interact. energy: -0.746 local terms energy: -299.986861 where: bonds (distance) C4'-P energy: -47.587 bonds (distance) P-C4' energy: -66.943 flat angles C4'-P-C4' energy: -62.164 flat angles P-C4'-P energy: -51.287 tors. eta vs tors. theta energy: -72.007 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: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -739.537139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.537139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.537139 (E_RNA) where: Base-Base interactions energy: -481.103 where: short stacking energy: -227.514 Base-Backbone interact. energy: -1.604 local terms energy: -256.829806 where: bonds (distance) C4'-P energy: -56.581 bonds (distance) P-C4' energy: -53.658 flat angles C4'-P-C4' energy: -65.185 flat angles P-C4'-P energy: -32.110 tors. eta vs tors. theta energy: -49.296 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: 2 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -551.075799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.075799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.075799 (E_RNA) where: Base-Base interactions energy: -316.913 where: short stacking energy: -170.531 Base-Backbone interact. energy: -1.072 local terms energy: -233.090630 where: bonds (distance) C4'-P energy: -55.528 bonds (distance) P-C4' energy: -63.848 flat angles C4'-P-C4' energy: -64.059 flat angles P-C4'-P energy: -25.090 tors. eta vs tors. theta energy: -24.565 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: 5 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -540.567982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.567982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.567982 (E_RNA) where: Base-Base interactions energy: -316.539 where: short stacking energy: -144.350 Base-Backbone interact. energy: 1.754 local terms energy: -225.782481 where: bonds (distance) C4'-P energy: -54.808 bonds (distance) P-C4' energy: -63.225 flat angles C4'-P-C4' energy: -49.919 flat angles P-C4'-P energy: -31.202 tors. eta vs tors. theta energy: -26.629 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: 411 Temperature: 1.350000 Total energy: -438.070945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.070945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.070945 (E_RNA) where: Base-Base interactions energy: -243.202 where: short stacking energy: -130.079 Base-Backbone interact. energy: 3.055 local terms energy: -197.923703 where: bonds (distance) C4'-P energy: -57.836 bonds (distance) P-C4' energy: -60.902 flat angles C4'-P-C4' energy: -43.502 flat angles P-C4'-P energy: -30.708 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: 1, replica: 8 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1203.236804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.236804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.236804 (E_RNA) where: Base-Base interactions energy: -823.873 where: short stacking energy: -339.016 Base-Backbone interact. energy: -1.159 local terms energy: -378.205372 where: bonds (distance) C4'-P energy: -67.992 bonds (distance) P-C4' energy: -71.532 flat angles C4'-P-C4' energy: -77.674 flat angles P-C4'-P energy: -56.746 tors. eta vs tors. theta energy: -104.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1125.319770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.319770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.319770 (E_RNA) where: Base-Base interactions energy: -786.129 where: short stacking energy: -347.489 Base-Backbone interact. energy: -0.530 local terms energy: -338.661465 where: bonds (distance) C4'-P energy: -62.251 bonds (distance) P-C4' energy: -64.162 flat angles C4'-P-C4' energy: -74.088 flat angles P-C4'-P energy: -42.168 tors. eta vs tors. theta energy: -95.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1063.279971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.279971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.279971 (E_RNA) where: Base-Base interactions energy: -723.067 where: short stacking energy: -313.893 Base-Backbone interact. energy: 0.024 local terms energy: -340.237621 where: bonds (distance) C4'-P energy: -65.922 bonds (distance) P-C4' energy: -69.137 flat angles C4'-P-C4' energy: -69.435 flat angles P-C4'-P energy: -43.843 tors. eta vs tors. theta energy: -91.901 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: 4, replica: 1 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1067.362443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.362443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.362443 (E_RNA) where: Base-Base interactions energy: -740.580 where: short stacking energy: -319.717 Base-Backbone interact. energy: -1.100 local terms energy: -325.682653 where: bonds (distance) C4'-P energy: -56.880 bonds (distance) P-C4' energy: -66.099 flat angles C4'-P-C4' energy: -57.740 flat angles P-C4'-P energy: -54.482 tors. eta vs tors. theta energy: -90.481 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: 3 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1007.402210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.402210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.402210 (E_RNA) where: Base-Base interactions energy: -691.855 where: short stacking energy: -317.667 Base-Backbone interact. energy: -1.255 local terms energy: -314.291793 where: bonds (distance) C4'-P energy: -54.902 bonds (distance) P-C4' energy: -64.311 flat angles C4'-P-C4' energy: -58.467 flat angles P-C4'-P energy: -41.651 tors. eta vs tors. theta energy: -94.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -943.199450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.199450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.199450 (E_RNA) where: Base-Base interactions energy: -636.845 where: short stacking energy: -276.472 Base-Backbone interact. energy: -1.849 local terms energy: -304.505394 where: bonds (distance) C4'-P energy: -48.989 bonds (distance) P-C4' energy: -59.855 flat angles C4'-P-C4' energy: -74.160 flat angles P-C4'-P energy: -44.016 tors. eta vs tors. theta energy: -77.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -715.105014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.105014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.105014 (E_RNA) where: Base-Base interactions energy: -447.758 where: short stacking energy: -199.567 Base-Backbone interact. energy: -2.266 local terms energy: -265.081625 where: bonds (distance) C4'-P energy: -60.927 bonds (distance) P-C4' energy: -63.121 flat angles C4'-P-C4' energy: -63.930 flat angles P-C4'-P energy: -29.573 tors. eta vs tors. theta energy: -47.531 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: 8, replica: 2 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -529.497311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.497311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.497311 (E_RNA) where: Base-Base interactions energy: -295.863 where: short stacking energy: -162.650 Base-Backbone interact. energy: -1.947 local terms energy: -231.687242 where: bonds (distance) C4'-P energy: -53.350 bonds (distance) P-C4' energy: -60.846 flat angles C4'-P-C4' energy: -55.949 flat angles P-C4'-P energy: -37.403 tors. eta vs tors. theta energy: -24.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -484.951086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.951086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.951086 (E_RNA) where: Base-Base interactions energy: -284.066 where: short stacking energy: -116.532 Base-Backbone interact. energy: -0.014 local terms energy: -200.870440 where: bonds (distance) C4'-P energy: -57.466 bonds (distance) P-C4' energy: -54.740 flat angles C4'-P-C4' energy: -45.515 flat angles P-C4'-P energy: -32.869 tors. eta vs tors. theta energy: -10.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -400.197657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.197657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.197657 (E_RNA) where: Base-Base interactions energy: -211.746 where: short stacking energy: -110.965 Base-Backbone interact. energy: 3.240 local terms energy: -191.692183 where: bonds (distance) C4'-P energy: -58.095 bonds (distance) P-C4' energy: -55.007 flat angles C4'-P-C4' energy: -49.837 flat angles P-C4'-P energy: -23.458 tors. eta vs tors. theta energy: -5.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1178.268162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.268162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.268162 (E_RNA) where: Base-Base interactions energy: -830.524 where: short stacking energy: -325.231 Base-Backbone interact. energy: -2.975 local terms energy: -344.769823 where: bonds (distance) C4'-P energy: -58.515 bonds (distance) P-C4' energy: -68.550 flat angles C4'-P-C4' energy: -70.442 flat angles P-C4'-P energy: -46.041 tors. eta vs tors. theta energy: -101.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1102.917759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.917759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.917759 (E_RNA) where: Base-Base interactions energy: -770.779 where: short stacking energy: -320.896 Base-Backbone interact. energy: -0.739 local terms energy: -331.399996 where: bonds (distance) C4'-P energy: -61.594 bonds (distance) P-C4' energy: -71.388 flat angles C4'-P-C4' energy: -72.718 flat angles P-C4'-P energy: -38.177 tors. eta vs tors. theta energy: -87.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1089.639866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.639866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.639866 (E_RNA) where: Base-Base interactions energy: -745.249 where: short stacking energy: -309.780 Base-Backbone interact. energy: -2.129 local terms energy: -342.262630 where: bonds (distance) C4'-P energy: -65.587 bonds (distance) P-C4' energy: -64.699 flat angles C4'-P-C4' energy: -68.453 flat angles P-C4'-P energy: -51.292 tors. eta vs tors. theta energy: -92.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1071.128772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.128772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.128772 (E_RNA) where: Base-Base interactions energy: -739.465 where: short stacking energy: -308.266 Base-Backbone interact. energy: -0.695 local terms energy: -330.968472 where: bonds (distance) C4'-P energy: -55.306 bonds (distance) P-C4' energy: -66.531 flat angles C4'-P-C4' energy: -72.382 flat angles P-C4'-P energy: -49.938 tors. eta vs tors. theta energy: -86.812 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: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -949.007880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.007880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.007880 (E_RNA) where: Base-Base interactions energy: -649.182 where: short stacking energy: -297.212 Base-Backbone interact. energy: -0.412 local terms energy: -299.414266 where: bonds (distance) C4'-P energy: -49.865 bonds (distance) P-C4' energy: -60.843 flat angles C4'-P-C4' energy: -68.300 flat angles P-C4'-P energy: -35.901 tors. eta vs tors. theta energy: -84.505 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: 4 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -956.181663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.181663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.181663 (E_RNA) where: Base-Base interactions energy: -647.380 where: short stacking energy: -277.543 Base-Backbone interact. energy: -1.252 local terms energy: -307.549326 where: bonds (distance) C4'-P energy: -52.433 bonds (distance) P-C4' energy: -66.359 flat angles C4'-P-C4' energy: -66.497 flat angles P-C4'-P energy: -43.631 tors. eta vs tors. theta energy: -78.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -753.468403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.468403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.468403 (E_RNA) where: Base-Base interactions energy: -490.882 where: short stacking energy: -221.167 Base-Backbone interact. energy: -1.786 local terms energy: -260.800791 where: bonds (distance) C4'-P energy: -48.330 bonds (distance) P-C4' energy: -58.449 flat angles C4'-P-C4' energy: -61.399 flat angles P-C4'-P energy: -33.801 tors. eta vs tors. theta energy: -58.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -554.962635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.962635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.962635 (E_RNA) where: Base-Base interactions energy: -331.252 where: short stacking energy: -193.992 Base-Backbone interact. energy: -0.161 local terms energy: -223.549103 where: bonds (distance) C4'-P energy: -51.715 bonds (distance) P-C4' energy: -58.351 flat angles C4'-P-C4' energy: -53.280 flat angles P-C4'-P energy: -26.474 tors. eta vs tors. theta energy: -33.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -495.356222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.356222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.356222 (E_RNA) where: Base-Base interactions energy: -283.864 where: short stacking energy: -146.042 Base-Backbone interact. energy: 0.594 local terms energy: -212.087070 where: bonds (distance) C4'-P energy: -46.683 bonds (distance) P-C4' energy: -66.046 flat angles C4'-P-C4' energy: -38.074 flat angles P-C4'-P energy: -38.098 tors. eta vs tors. theta energy: -23.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -419.292757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.292757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.292757 (E_RNA) where: Base-Base interactions energy: -227.432 where: short stacking energy: -111.867 Base-Backbone interact. energy: -0.590 local terms energy: -191.270777 where: bonds (distance) C4'-P energy: -64.301 bonds (distance) P-C4' energy: -49.525 flat angles C4'-P-C4' energy: -32.446 flat angles P-C4'-P energy: -38.444 tors. eta vs tors. theta energy: -6.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1167.918880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.918880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.918880 (E_RNA) where: Base-Base interactions energy: -829.179 where: short stacking energy: -324.044 Base-Backbone interact. energy: -0.995 local terms energy: -337.745382 where: bonds (distance) C4'-P energy: -66.429 bonds (distance) P-C4' energy: -68.113 flat angles C4'-P-C4' energy: -69.480 flat angles P-C4'-P energy: -40.552 tors. eta vs tors. theta energy: -93.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1098.524212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.524212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.524212 (E_RNA) where: Base-Base interactions energy: -768.391 where: short stacking energy: -312.944 Base-Backbone interact. energy: -0.578 local terms energy: -329.555044 where: bonds (distance) C4'-P energy: -65.262 bonds (distance) P-C4' energy: -62.113 flat angles C4'-P-C4' energy: -73.082 flat angles P-C4'-P energy: -46.582 tors. eta vs tors. theta energy: -82.516 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: 3, replica: 9 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1086.461565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.461565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.461565 (E_RNA) where: Base-Base interactions energy: -766.608 where: short stacking energy: -332.114 Base-Backbone interact. energy: 0.365 local terms energy: -320.218706 where: bonds (distance) C4'-P energy: -57.471 bonds (distance) P-C4' energy: -63.229 flat angles C4'-P-C4' energy: -62.364 flat angles P-C4'-P energy: -44.654 tors. eta vs tors. theta energy: -92.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1050.903831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.903831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.903831 (E_RNA) where: Base-Base interactions energy: -742.830 where: short stacking energy: -301.024 Base-Backbone interact. energy: 1.595 local terms energy: -309.669396 where: bonds (distance) C4'-P energy: -61.772 bonds (distance) P-C4' energy: -64.282 flat angles C4'-P-C4' energy: -68.533 flat angles P-C4'-P energy: -29.274 tors. eta vs tors. theta energy: -85.809 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: 4 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -971.272771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.272771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.272771 (E_RNA) where: Base-Base interactions energy: -665.863 where: short stacking energy: -260.810 Base-Backbone interact. energy: 2.053 local terms energy: -307.463118 where: bonds (distance) C4'-P energy: -52.236 bonds (distance) P-C4' energy: -63.328 flat angles C4'-P-C4' energy: -70.107 flat angles P-C4'-P energy: -50.334 tors. eta vs tors. theta energy: -71.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -922.416351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.416351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.416351 (E_RNA) where: Base-Base interactions energy: -629.600 where: short stacking energy: -285.110 Base-Backbone interact. energy: -1.050 local terms energy: -291.766505 where: bonds (distance) C4'-P energy: -54.145 bonds (distance) P-C4' energy: -50.405 flat angles C4'-P-C4' energy: -65.963 flat angles P-C4'-P energy: -39.446 tors. eta vs tors. theta energy: -81.808 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: 414 Temperature: 1.200000 Total energy: -719.837072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.837072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.837072 (E_RNA) where: Base-Base interactions energy: -475.766 where: short stacking energy: -218.803 Base-Backbone interact. energy: -1.277 local terms energy: -242.794113 where: bonds (distance) C4'-P energy: -55.919 bonds (distance) P-C4' energy: -57.157 flat angles C4'-P-C4' energy: -46.103 flat angles P-C4'-P energy: -37.023 tors. eta vs tors. theta energy: -46.593 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: 5 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -512.929973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.929973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.929973 (E_RNA) where: Base-Base interactions energy: -296.090 where: short stacking energy: -151.471 Base-Backbone interact. energy: -0.803 local terms energy: -216.037200 where: bonds (distance) C4'-P energy: -60.160 bonds (distance) P-C4' energy: -68.567 flat angles C4'-P-C4' energy: -43.120 flat angles P-C4'-P energy: -28.573 tors. eta vs tors. theta energy: -15.618 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: 2 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -485.492719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.492719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.492719 (E_RNA) where: Base-Base interactions energy: -271.003 where: short stacking energy: -149.348 Base-Backbone interact. energy: -1.691 local terms energy: -212.798479 where: bonds (distance) C4'-P energy: -63.836 bonds (distance) P-C4' energy: -48.012 flat angles C4'-P-C4' energy: -50.219 flat angles P-C4'-P energy: -20.045 tors. eta vs tors. theta energy: -30.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -395.990086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.990086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.990086 (E_RNA) where: Base-Base interactions energy: -208.895 where: short stacking energy: -101.551 Base-Backbone interact. energy: -1.476 local terms energy: -185.618909 where: bonds (distance) C4'-P energy: -47.040 bonds (distance) P-C4' energy: -51.987 flat angles C4'-P-C4' energy: -47.205 flat angles P-C4'-P energy: -36.260 tors. eta vs tors. theta energy: -3.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1189.236455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.236455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.236455 (E_RNA) where: Base-Base interactions energy: -822.850 where: short stacking energy: -335.591 Base-Backbone interact. energy: -1.744 local terms energy: -364.642719 where: bonds (distance) C4'-P energy: -59.465 bonds (distance) P-C4' energy: -71.442 flat angles C4'-P-C4' energy: -76.317 flat angles P-C4'-P energy: -52.395 tors. eta vs tors. theta energy: -105.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1118.665076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.665076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.665076 (E_RNA) where: Base-Base interactions energy: -784.881 where: short stacking energy: -322.707 Base-Backbone interact. energy: -0.542 local terms energy: -333.241142 where: bonds (distance) C4'-P energy: -63.110 bonds (distance) P-C4' energy: -68.411 flat angles C4'-P-C4' energy: -66.606 flat angles P-C4'-P energy: -51.282 tors. eta vs tors. theta energy: -83.833 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: 3, replica: 9 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1090.913561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.913561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.913561 (E_RNA) where: Base-Base interactions energy: -739.673 where: short stacking energy: -317.360 Base-Backbone interact. energy: -1.239 local terms energy: -350.001599 where: bonds (distance) C4'-P energy: -57.679 bonds (distance) P-C4' energy: -66.977 flat angles C4'-P-C4' energy: -82.647 flat angles P-C4'-P energy: -53.364 tors. eta vs tors. theta energy: -89.334 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: 1 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1069.048754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.048754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.048754 (E_RNA) where: Base-Base interactions energy: -756.207 where: short stacking energy: -324.271 Base-Backbone interact. energy: -0.551 local terms energy: -312.290909 where: bonds (distance) C4'-P energy: -65.624 bonds (distance) P-C4' energy: -57.626 flat angles C4'-P-C4' energy: -64.079 flat angles P-C4'-P energy: -38.695 tors. eta vs tors. theta energy: -86.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -968.599297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.599297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.599297 (E_RNA) where: Base-Base interactions energy: -677.530 where: short stacking energy: -279.052 Base-Backbone interact. energy: 0.920 local terms energy: -291.989962 where: bonds (distance) C4'-P energy: -46.865 bonds (distance) P-C4' energy: -59.898 flat angles C4'-P-C4' energy: -66.296 flat angles P-C4'-P energy: -46.038 tors. eta vs tors. theta energy: -72.893 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: 415 Temperature: 1.150000 Total energy: -952.253041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.253041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.253041 (E_RNA) where: Base-Base interactions energy: -646.636 where: short stacking energy: -279.581 Base-Backbone interact. energy: 0.907 local terms energy: -306.523617 where: bonds (distance) C4'-P energy: -54.527 bonds (distance) P-C4' energy: -57.535 flat angles C4'-P-C4' energy: -70.236 flat angles P-C4'-P energy: -48.916 tors. eta vs tors. theta energy: -75.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -711.034529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.034529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.034529 (E_RNA) where: Base-Base interactions energy: -469.551 where: short stacking energy: -223.737 Base-Backbone interact. energy: -0.839 local terms energy: -240.644798 where: bonds (distance) C4'-P energy: -55.283 bonds (distance) P-C4' energy: -47.226 flat angles C4'-P-C4' energy: -57.727 flat angles P-C4'-P energy: -23.669 tors. eta vs tors. theta energy: -56.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -595.222710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.222710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.222710 (E_RNA) where: Base-Base interactions energy: -358.505 where: short stacking energy: -187.996 Base-Backbone interact. energy: 6.460 local terms energy: -243.177797 where: bonds (distance) C4'-P energy: -57.351 bonds (distance) P-C4' energy: -53.993 flat angles C4'-P-C4' energy: -58.787 flat angles P-C4'-P energy: -32.367 tors. eta vs tors. theta energy: -40.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -470.046541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.046541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.046541 (E_RNA) where: Base-Base interactions energy: -268.473 where: short stacking energy: -128.571 Base-Backbone interact. energy: 0.761 local terms energy: -202.334220 where: bonds (distance) C4'-P energy: -55.403 bonds (distance) P-C4' energy: -57.328 flat angles C4'-P-C4' energy: -47.054 flat angles P-C4'-P energy: -28.520 tors. eta vs tors. theta energy: -14.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -348.505348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.505348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.505348 (E_RNA) where: Base-Base interactions energy: -156.186 where: short stacking energy: -96.415 Base-Backbone interact. energy: -1.493 local terms energy: -190.825672 where: bonds (distance) C4'-P energy: -54.379 bonds (distance) P-C4' energy: -50.871 flat angles C4'-P-C4' energy: -54.420 flat angles P-C4'-P energy: -27.317 tors. eta vs tors. theta energy: -3.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1178.166558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.166558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.166558 (E_RNA) where: Base-Base interactions energy: -839.271 where: short stacking energy: -341.483 Base-Backbone interact. energy: -1.010 local terms energy: -337.885792 where: bonds (distance) C4'-P energy: -54.703 bonds (distance) P-C4' energy: -69.239 flat angles C4'-P-C4' energy: -68.300 flat angles P-C4'-P energy: -49.777 tors. eta vs tors. theta energy: -95.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1154.551095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.551095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.551095 (E_RNA) where: Base-Base interactions energy: -804.481 where: short stacking energy: -327.112 Base-Backbone interact. energy: -1.932 local terms energy: -348.137529 where: bonds (distance) C4'-P energy: -63.942 bonds (distance) P-C4' energy: -67.107 flat angles C4'-P-C4' energy: -72.223 flat angles P-C4'-P energy: -54.117 tors. eta vs tors. theta energy: -90.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1101.548227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.548227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.548227 (E_RNA) where: Base-Base interactions energy: -758.988 where: short stacking energy: -308.595 Base-Backbone interact. energy: -1.189 local terms energy: -341.370409 where: bonds (distance) C4'-P energy: -62.144 bonds (distance) P-C4' energy: -62.589 flat angles C4'-P-C4' energy: -77.271 flat angles P-C4'-P energy: -49.333 tors. eta vs tors. theta energy: -90.035 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: 1 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1068.534025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.534025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.534025 (E_RNA) where: Base-Base interactions energy: -748.736 where: short stacking energy: -321.456 Base-Backbone interact. energy: -0.762 local terms energy: -319.036541 where: bonds (distance) C4'-P energy: -47.678 bonds (distance) P-C4' energy: -60.097 flat angles C4'-P-C4' energy: -69.050 flat angles P-C4'-P energy: -44.848 tors. eta vs tors. theta energy: -97.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -969.629069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.629069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.629069 (E_RNA) where: Base-Base interactions energy: -667.589 where: short stacking energy: -298.752 Base-Backbone interact. energy: 0.395 local terms energy: -302.435579 where: bonds (distance) C4'-P energy: -57.360 bonds (distance) P-C4' energy: -56.779 flat angles C4'-P-C4' energy: -65.720 flat angles P-C4'-P energy: -40.199 tors. eta vs tors. theta energy: -82.377 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: 4 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -968.025388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.025388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.025388 (E_RNA) where: Base-Base interactions energy: -656.902 where: short stacking energy: -283.885 Base-Backbone interact. energy: -0.994 local terms energy: -310.129359 where: bonds (distance) C4'-P energy: -55.479 bonds (distance) P-C4' energy: -61.172 flat angles C4'-P-C4' energy: -67.586 flat angles P-C4'-P energy: -52.402 tors. eta vs tors. theta energy: -73.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -741.929816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.929816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.929816 (E_RNA) where: Base-Base interactions energy: -492.259 where: short stacking energy: -229.484 Base-Backbone interact. energy: -1.667 local terms energy: -248.004010 where: bonds (distance) C4'-P energy: -50.032 bonds (distance) P-C4' energy: -51.343 flat angles C4'-P-C4' energy: -58.873 flat angles P-C4'-P energy: -39.125 tors. eta vs tors. theta energy: -48.632 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: 2 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -592.611709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.611709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.611709 (E_RNA) where: Base-Base interactions energy: -344.803 where: short stacking energy: -186.221 Base-Backbone interact. energy: -0.995 local terms energy: -246.813468 where: bonds (distance) C4'-P energy: -56.524 bonds (distance) P-C4' energy: -57.515 flat angles C4'-P-C4' energy: -68.764 flat angles P-C4'-P energy: -28.460 tors. eta vs tors. theta energy: -35.550 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: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -386.597932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.597932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.597932 (E_RNA) where: Base-Base interactions energy: -173.204 where: short stacking energy: -107.185 Base-Backbone interact. energy: -1.188 local terms energy: -212.206407 where: bonds (distance) C4'-P energy: -52.805 bonds (distance) P-C4' energy: -70.664 flat angles C4'-P-C4' energy: -47.833 flat angles P-C4'-P energy: -30.588 tors. eta vs tors. theta energy: -10.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -459.990566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.990566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.990566 (E_RNA) where: Base-Base interactions energy: -271.119 where: short stacking energy: -123.186 Base-Backbone interact. energy: -0.491 local terms energy: -188.380581 where: bonds (distance) C4'-P energy: -43.449 bonds (distance) P-C4' energy: -58.546 flat angles C4'-P-C4' energy: -53.642 flat angles P-C4'-P energy: -27.187 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: 1, replica: 8 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1189.337887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.337887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.337887 (E_RNA) where: Base-Base interactions energy: -843.906 where: short stacking energy: -347.467 Base-Backbone interact. energy: 0.376 local terms energy: -345.807838 where: bonds (distance) C4'-P energy: -56.107 bonds (distance) P-C4' energy: -73.467 flat angles C4'-P-C4' energy: -76.818 flat angles P-C4'-P energy: -47.819 tors. eta vs tors. theta energy: -91.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1131.536702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.536702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.536702 (E_RNA) where: Base-Base interactions energy: -783.474 where: short stacking energy: -335.987 Base-Backbone interact. energy: -1.443 local terms energy: -346.619810 where: bonds (distance) C4'-P energy: -60.556 bonds (distance) P-C4' energy: -63.553 flat angles C4'-P-C4' energy: -73.939 flat angles P-C4'-P energy: -53.492 tors. eta vs tors. theta energy: -95.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1098.465342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.465342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.465342 (E_RNA) where: Base-Base interactions energy: -781.458 where: short stacking energy: -318.261 Base-Backbone interact. energy: -1.489 local terms energy: -315.517947 where: bonds (distance) C4'-P energy: -55.050 bonds (distance) P-C4' energy: -63.895 flat angles C4'-P-C4' energy: -60.732 flat angles P-C4'-P energy: -46.723 tors. eta vs tors. theta energy: -89.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -994.985394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.985394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.985394 (E_RNA) where: Base-Base interactions energy: -673.839 where: short stacking energy: -308.297 Base-Backbone interact. energy: -0.318 local terms energy: -320.827788 where: bonds (distance) C4'-P energy: -56.510 bonds (distance) P-C4' energy: -59.628 flat angles C4'-P-C4' energy: -72.368 flat angles P-C4'-P energy: -42.999 tors. eta vs tors. theta energy: -89.322 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: 1 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1058.908878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.908878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.908878 (E_RNA) where: Base-Base interactions energy: -724.331 where: short stacking energy: -294.903 Base-Backbone interact. energy: -1.001 local terms energy: -333.576657 where: bonds (distance) C4'-P energy: -58.176 bonds (distance) P-C4' energy: -70.826 flat angles C4'-P-C4' energy: -67.920 flat angles P-C4'-P energy: -45.285 tors. eta vs tors. theta energy: -91.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -955.639949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.639949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.639949 (E_RNA) where: Base-Base interactions energy: -668.001 where: short stacking energy: -282.954 Base-Backbone interact. energy: 0.338 local terms energy: -287.977071 where: bonds (distance) C4'-P energy: -53.466 bonds (distance) P-C4' energy: -57.875 flat angles C4'-P-C4' energy: -64.727 flat angles P-C4'-P energy: -33.125 tors. eta vs tors. theta energy: -78.785 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: 6 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -750.092271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.092271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.092271 (E_RNA) where: Base-Base interactions energy: -486.620 where: short stacking energy: -220.142 Base-Backbone interact. energy: -0.924 local terms energy: -262.548830 where: bonds (distance) C4'-P energy: -43.104 bonds (distance) P-C4' energy: -61.648 flat angles C4'-P-C4' energy: -58.548 flat angles P-C4'-P energy: -41.044 tors. eta vs tors. theta energy: -58.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -620.556796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.556796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.556796 (E_RNA) where: Base-Base interactions energy: -370.647 where: short stacking energy: -207.893 Base-Backbone interact. energy: -0.004 local terms energy: -249.906424 where: bonds (distance) C4'-P energy: -53.345 bonds (distance) P-C4' energy: -50.468 flat angles C4'-P-C4' energy: -62.006 flat angles P-C4'-P energy: -31.957 tors. eta vs tors. theta energy: -52.130 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: 7 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -399.589165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.589165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.589165 (E_RNA) where: Base-Base interactions energy: -212.214 where: short stacking energy: -143.406 Base-Backbone interact. energy: -1.165 local terms energy: -186.210218 where: bonds (distance) C4'-P energy: -42.624 bonds (distance) P-C4' energy: -49.707 flat angles C4'-P-C4' energy: -55.228 flat angles P-C4'-P energy: -24.865 tors. eta vs tors. theta energy: -13.786 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: 5 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -452.964752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.964752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.964752 (E_RNA) where: Base-Base interactions energy: -245.166 where: short stacking energy: -130.251 Base-Backbone interact. energy: -1.794 local terms energy: -206.005235 where: bonds (distance) C4'-P energy: -67.726 bonds (distance) P-C4' energy: -47.985 flat angles C4'-P-C4' energy: -56.483 flat angles P-C4'-P energy: -25.240 tors. eta vs tors. theta energy: -8.571 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: 1, replica: 9 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1160.928832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.928832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.928832 (E_RNA) where: Base-Base interactions energy: -804.324 where: short stacking energy: -342.815 Base-Backbone interact. energy: -0.168 local terms energy: -356.436549 where: bonds (distance) C4'-P energy: -61.506 bonds (distance) P-C4' energy: -64.696 flat angles C4'-P-C4' energy: -79.820 flat angles P-C4'-P energy: -50.993 tors. eta vs tors. theta energy: -99.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1140.270221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.270221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.270221 (E_RNA) where: Base-Base interactions energy: -798.206 where: short stacking energy: -330.459 Base-Backbone interact. energy: -1.470 local terms energy: -340.594716 where: bonds (distance) C4'-P energy: -58.549 bonds (distance) P-C4' energy: -60.182 flat angles C4'-P-C4' energy: -71.396 flat angles P-C4'-P energy: -50.830 tors. eta vs tors. theta energy: -99.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1090.456009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.456009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.456009 (E_RNA) where: Base-Base interactions energy: -757.942 where: short stacking energy: -310.872 Base-Backbone interact. energy: -1.705 local terms energy: -330.808798 where: bonds (distance) C4'-P energy: -65.221 bonds (distance) P-C4' energy: -63.322 flat angles C4'-P-C4' energy: -69.652 flat angles P-C4'-P energy: -43.258 tors. eta vs tors. theta energy: -89.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1034.307741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.307741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.307741 (E_RNA) where: Base-Base interactions energy: -703.762 where: short stacking energy: -318.131 Base-Backbone interact. energy: -0.279 local terms energy: -330.266546 where: bonds (distance) C4'-P energy: -63.736 bonds (distance) P-C4' energy: -51.672 flat angles C4'-P-C4' energy: -72.845 flat angles P-C4'-P energy: -54.048 tors. eta vs tors. theta energy: -87.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1070.310569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.310569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.310569 (E_RNA) where: Base-Base interactions energy: -737.023 where: short stacking energy: -304.120 Base-Backbone interact. energy: -1.944 local terms energy: -331.343671 where: bonds (distance) C4'-P energy: -53.945 bonds (distance) P-C4' energy: -65.153 flat angles C4'-P-C4' energy: -66.955 flat angles P-C4'-P energy: -50.143 tors. eta vs tors. theta energy: -95.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -974.851592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.851592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.851592 (E_RNA) where: Base-Base interactions energy: -674.206 where: short stacking energy: -277.055 Base-Backbone interact. energy: 1.085 local terms energy: -301.730268 where: bonds (distance) C4'-P energy: -61.972 bonds (distance) P-C4' energy: -53.971 flat angles C4'-P-C4' energy: -63.704 flat angles P-C4'-P energy: -43.317 tors. eta vs tors. theta energy: -78.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -748.040033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.040033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.040033 (E_RNA) where: Base-Base interactions energy: -493.764 where: short stacking energy: -215.414 Base-Backbone interact. energy: 0.263 local terms energy: -254.539638 where: bonds (distance) C4'-P energy: -46.489 bonds (distance) P-C4' energy: -56.507 flat angles C4'-P-C4' energy: -66.200 flat angles P-C4'-P energy: -40.463 tors. eta vs tors. theta energy: -44.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -602.791743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.791743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.791743 (E_RNA) where: Base-Base interactions energy: -367.483 where: short stacking energy: -203.902 Base-Backbone interact. energy: -0.054 local terms energy: -235.255516 where: bonds (distance) C4'-P energy: -43.914 bonds (distance) P-C4' energy: -45.793 flat angles C4'-P-C4' energy: -52.910 flat angles P-C4'-P energy: -46.584 tors. eta vs tors. theta energy: -46.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -520.127029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.127029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.127029 (E_RNA) where: Base-Base interactions energy: -312.493 where: short stacking energy: -144.745 Base-Backbone interact. energy: 0.496 local terms energy: -208.130305 where: bonds (distance) C4'-P energy: -47.425 bonds (distance) P-C4' energy: -57.799 flat angles C4'-P-C4' energy: -50.388 flat angles P-C4'-P energy: -30.194 tors. eta vs tors. theta energy: -22.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -340.686325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.686325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.686325 (E_RNA) where: Base-Base interactions energy: -158.448 where: short stacking energy: -99.441 Base-Backbone interact. energy: 1.232 local terms energy: -183.470802 where: bonds (distance) C4'-P energy: -52.099 bonds (distance) P-C4' energy: -59.132 flat angles C4'-P-C4' energy: -56.192 flat angles P-C4'-P energy: -25.015 tors. eta vs tors. theta energy: 8.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1152.388947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.388947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.388947 (E_RNA) where: Base-Base interactions energy: -783.048 where: short stacking energy: -328.216 Base-Backbone interact. energy: -1.054 local terms energy: -368.286935 where: bonds (distance) C4'-P energy: -62.389 bonds (distance) P-C4' energy: -70.404 flat angles C4'-P-C4' energy: -79.120 flat angles P-C4'-P energy: -56.956 tors. eta vs tors. theta energy: -99.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1163.042764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.042764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.042764 (E_RNA) where: Base-Base interactions energy: -813.798 where: short stacking energy: -331.337 Base-Backbone interact. energy: 0.461 local terms energy: -349.706157 where: bonds (distance) C4'-P energy: -59.161 bonds (distance) P-C4' energy: -65.797 flat angles C4'-P-C4' energy: -75.849 flat angles P-C4'-P energy: -47.517 tors. eta vs tors. theta energy: -101.382 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: 10 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1101.664115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.664115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.664115 (E_RNA) where: Base-Base interactions energy: -769.508 where: short stacking energy: -315.609 Base-Backbone interact. energy: -2.489 local terms energy: -329.667007 where: bonds (distance) C4'-P energy: -63.218 bonds (distance) P-C4' energy: -64.544 flat angles C4'-P-C4' energy: -69.011 flat angles P-C4'-P energy: -45.981 tors. eta vs tors. theta energy: -86.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1061.366616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.366616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.366616 (E_RNA) where: Base-Base interactions energy: -742.406 where: short stacking energy: -306.702 Base-Backbone interact. energy: -0.410 local terms energy: -318.551112 where: bonds (distance) C4'-P energy: -60.470 bonds (distance) P-C4' energy: -66.562 flat angles C4'-P-C4' energy: -71.092 flat angles P-C4'-P energy: -38.337 tors. eta vs tors. theta energy: -82.090 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: 5, replica: 3 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -980.417427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.417427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.417427 (E_RNA) where: Base-Base interactions energy: -657.296 where: short stacking energy: -310.104 Base-Backbone interact. energy: -0.272 local terms energy: -322.849477 where: bonds (distance) C4'-P energy: -70.836 bonds (distance) P-C4' energy: -47.331 flat angles C4'-P-C4' energy: -69.862 flat angles P-C4'-P energy: -48.543 tors. eta vs tors. theta energy: -86.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -990.784206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.784206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.784206 (E_RNA) where: Base-Base interactions energy: -675.710 where: short stacking energy: -285.054 Base-Backbone interact. energy: -0.299 local terms energy: -314.775611 where: bonds (distance) C4'-P energy: -59.261 bonds (distance) P-C4' energy: -56.802 flat angles C4'-P-C4' energy: -67.485 flat angles P-C4'-P energy: -41.721 tors. eta vs tors. theta energy: -89.507 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: 6 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -730.236886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.236886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.236886 (E_RNA) where: Base-Base interactions energy: -461.823 where: short stacking energy: -207.632 Base-Backbone interact. energy: 3.489 local terms energy: -271.902477 where: bonds (distance) C4'-P energy: -54.909 bonds (distance) P-C4' energy: -70.921 flat angles C4'-P-C4' energy: -58.845 flat angles P-C4'-P energy: -36.922 tors. eta vs tors. theta energy: -50.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -617.293505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.293505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.293505 (E_RNA) where: Base-Base interactions energy: -381.942 where: short stacking energy: -175.508 Base-Backbone interact. energy: -0.083 local terms energy: -235.268118 where: bonds (distance) C4'-P energy: -41.839 bonds (distance) P-C4' energy: -51.634 flat angles C4'-P-C4' energy: -53.944 flat angles P-C4'-P energy: -40.866 tors. eta vs tors. theta energy: -46.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -474.163191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.163191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.163191 (E_RNA) where: Base-Base interactions energy: -262.649 where: short stacking energy: -155.316 Base-Backbone interact. energy: 1.666 local terms energy: -213.179706 where: bonds (distance) C4'-P energy: -48.862 bonds (distance) P-C4' energy: -53.111 flat angles C4'-P-C4' energy: -53.468 flat angles P-C4'-P energy: -29.720 tors. eta vs tors. theta energy: -28.019 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: 10, replica: 7 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -379.192542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.192542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.192542 (E_RNA) where: Base-Base interactions energy: -202.105 where: short stacking energy: -137.723 Base-Backbone interact. energy: -0.196 local terms energy: -176.891705 where: bonds (distance) C4'-P energy: -38.464 bonds (distance) P-C4' energy: -52.792 flat angles C4'-P-C4' energy: -45.447 flat angles P-C4'-P energy: -21.184 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: 1, replica: 9 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1154.472701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.472701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.472701 (E_RNA) where: Base-Base interactions energy: -805.910 where: short stacking energy: -340.163 Base-Backbone interact. energy: -1.816 local terms energy: -346.746261 where: bonds (distance) C4'-P energy: -53.243 bonds (distance) P-C4' energy: -69.906 flat angles C4'-P-C4' energy: -76.378 flat angles P-C4'-P energy: -46.140 tors. eta vs tors. theta energy: -101.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1143.896718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.896718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.896718 (E_RNA) where: Base-Base interactions energy: -791.715 where: short stacking energy: -341.486 Base-Backbone interact. energy: 1.649 local terms energy: -353.830908 where: bonds (distance) C4'-P energy: -68.946 bonds (distance) P-C4' energy: -57.466 flat angles C4'-P-C4' energy: -74.906 flat angles P-C4'-P energy: -51.894 tors. eta vs tors. theta energy: -100.618 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: 10 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1092.223571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.223571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.223571 (E_RNA) where: Base-Base interactions energy: -753.945 where: short stacking energy: -329.830 Base-Backbone interact. energy: -0.388 local terms energy: -337.891026 where: bonds (distance) C4'-P energy: -56.384 bonds (distance) P-C4' energy: -71.272 flat angles C4'-P-C4' energy: -70.104 flat angles P-C4'-P energy: -44.901 tors. eta vs tors. theta energy: -95.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1040.378221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.378221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.378221 (E_RNA) where: Base-Base interactions energy: -732.199 where: short stacking energy: -302.732 Base-Backbone interact. energy: -1.637 local terms energy: -306.542792 where: bonds (distance) C4'-P energy: -60.819 bonds (distance) P-C4' energy: -64.308 flat angles C4'-P-C4' energy: -60.868 flat angles P-C4'-P energy: -42.203 tors. eta vs tors. theta energy: -78.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -999.779761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.779761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.779761 (E_RNA) where: Base-Base interactions energy: -696.552 where: short stacking energy: -275.295 Base-Backbone interact. energy: -3.852 local terms energy: -299.376468 where: bonds (distance) C4'-P energy: -55.944 bonds (distance) P-C4' energy: -62.163 flat angles C4'-P-C4' energy: -66.402 flat angles P-C4'-P energy: -37.378 tors. eta vs tors. theta energy: -77.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -980.704495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.704495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.704495 (E_RNA) where: Base-Base interactions energy: -673.245 where: short stacking energy: -308.716 Base-Backbone interact. energy: -1.408 local terms energy: -306.051257 where: bonds (distance) C4'-P energy: -53.200 bonds (distance) P-C4' energy: -58.993 flat angles C4'-P-C4' energy: -71.736 flat angles P-C4'-P energy: -38.420 tors. eta vs tors. theta energy: -83.701 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: 6 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -767.448230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.448230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.448230 (E_RNA) where: Base-Base interactions energy: -475.856 where: short stacking energy: -195.578 Base-Backbone interact. energy: 2.233 local terms energy: -293.825682 where: bonds (distance) C4'-P energy: -65.410 bonds (distance) P-C4' energy: -74.932 flat angles C4'-P-C4' energy: -61.263 flat angles P-C4'-P energy: -33.196 tors. eta vs tors. theta energy: -59.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -569.696125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.696125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.696125 (E_RNA) where: Base-Base interactions energy: -333.070 where: short stacking energy: -175.624 Base-Backbone interact. energy: -0.599 local terms energy: -236.026940 where: bonds (distance) C4'-P energy: -49.203 bonds (distance) P-C4' energy: -50.014 flat angles C4'-P-C4' energy: -60.186 flat angles P-C4'-P energy: -39.219 tors. eta vs tors. theta energy: -37.405 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: 9, replica: 5 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -470.820088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.820088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.820088 (E_RNA) where: Base-Base interactions energy: -271.557 where: short stacking energy: -131.327 Base-Backbone interact. energy: -1.601 local terms energy: -197.662280 where: bonds (distance) C4'-P energy: -51.999 bonds (distance) P-C4' energy: -65.507 flat angles C4'-P-C4' energy: -27.330 flat angles P-C4'-P energy: -38.303 tors. eta vs tors. theta energy: -14.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -341.947532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.947532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.947532 (E_RNA) where: Base-Base interactions energy: -164.174 where: short stacking energy: -97.878 Base-Backbone interact. energy: 1.524 local terms energy: -179.296866 where: bonds (distance) C4'-P energy: -49.922 bonds (distance) P-C4' energy: -67.101 flat angles C4'-P-C4' energy: -47.976 flat angles P-C4'-P energy: -24.238 tors. eta vs tors. theta energy: 9.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1145.781498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.781498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.781498 (E_RNA) where: Base-Base interactions energy: -779.453 where: short stacking energy: -322.605 Base-Backbone interact. energy: -0.645 local terms energy: -365.683513 where: bonds (distance) C4'-P energy: -67.160 bonds (distance) P-C4' energy: -79.770 flat angles C4'-P-C4' energy: -76.228 flat angles P-C4'-P energy: -48.839 tors. eta vs tors. theta energy: -93.686 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: 2, replica: 8 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1157.236893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.236893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.236893 (E_RNA) where: Base-Base interactions energy: -804.590 where: short stacking energy: -326.600 Base-Backbone interact. energy: -1.405 local terms energy: -351.242259 where: bonds (distance) C4'-P energy: -62.992 bonds (distance) P-C4' energy: -67.470 flat angles C4'-P-C4' energy: -69.239 flat angles P-C4'-P energy: -56.297 tors. eta vs tors. theta energy: -95.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1097.015805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.015805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.015805 (E_RNA) where: Base-Base interactions energy: -769.911 where: short stacking energy: -327.924 Base-Backbone interact. energy: -0.590 local terms energy: -326.514876 where: bonds (distance) C4'-P energy: -60.344 bonds (distance) P-C4' energy: -59.903 flat angles C4'-P-C4' energy: -64.809 flat angles P-C4'-P energy: -45.916 tors. eta vs tors. theta energy: -95.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1081.459929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.459929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.459929 (E_RNA) where: Base-Base interactions energy: -747.099 where: short stacking energy: -317.219 Base-Backbone interact. energy: -2.929 local terms energy: -331.431657 where: bonds (distance) C4'-P energy: -65.613 bonds (distance) P-C4' energy: -69.105 flat angles C4'-P-C4' energy: -67.692 flat angles P-C4'-P energy: -41.183 tors. eta vs tors. theta energy: -87.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -981.003382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.003382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.003382 (E_RNA) where: Base-Base interactions energy: -669.953 where: short stacking energy: -283.305 Base-Backbone interact. energy: -4.896 local terms energy: -306.155215 where: bonds (distance) C4'-P energy: -59.158 bonds (distance) P-C4' energy: -55.971 flat angles C4'-P-C4' energy: -63.652 flat angles P-C4'-P energy: -45.247 tors. eta vs tors. theta energy: -82.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -976.820061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.820061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.820061 (E_RNA) where: Base-Base interactions energy: -691.474 where: short stacking energy: -296.143 Base-Backbone interact. energy: 1.625 local terms energy: -286.970591 where: bonds (distance) C4'-P energy: -52.307 bonds (distance) P-C4' energy: -58.055 flat angles C4'-P-C4' energy: -59.460 flat angles P-C4'-P energy: -33.479 tors. eta vs tors. theta energy: -83.670 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: 421 Temperature: 1.200000 Total energy: -777.416140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.416140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.416140 (E_RNA) where: Base-Base interactions energy: -523.952 where: short stacking energy: -218.088 Base-Backbone interact. energy: 1.014 local terms energy: -254.477671 where: bonds (distance) C4'-P energy: -55.200 bonds (distance) P-C4' energy: -60.832 flat angles C4'-P-C4' energy: -52.036 flat angles P-C4'-P energy: -36.947 tors. eta vs tors. theta energy: -49.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -550.375734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.375734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.375734 (E_RNA) where: Base-Base interactions energy: -310.665 where: short stacking energy: -160.297 Base-Backbone interact. energy: 0.562 local terms energy: -240.272757 where: bonds (distance) C4'-P energy: -48.619 bonds (distance) P-C4' energy: -62.623 flat angles C4'-P-C4' energy: -64.332 flat angles P-C4'-P energy: -35.237 tors. eta vs tors. theta energy: -29.461 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: 5 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -477.011707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.011707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.011707 (E_RNA) where: Base-Base interactions energy: -258.443 where: short stacking energy: -124.126 Base-Backbone interact. energy: 1.515 local terms energy: -220.083926 where: bonds (distance) C4'-P energy: -58.571 bonds (distance) P-C4' energy: -63.120 flat angles C4'-P-C4' energy: -51.192 flat angles P-C4'-P energy: -34.503 tors. eta vs tors. theta energy: -12.699 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: 10, replica: 7 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -329.549647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.549647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.549647 (E_RNA) where: Base-Base interactions energy: -148.967 where: short stacking energy: -104.202 Base-Backbone interact. energy: -1.180 local terms energy: -179.403103 where: bonds (distance) C4'-P energy: -50.920 bonds (distance) P-C4' energy: -47.827 flat angles C4'-P-C4' energy: -49.920 flat angles P-C4'-P energy: -25.520 tors. eta vs tors. theta energy: -5.216 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: 422 Temperature: 0.900000 Total energy: -1155.615550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.615550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.615550 (E_RNA) where: Base-Base interactions energy: -798.218 where: short stacking energy: -344.035 Base-Backbone interact. energy: -0.129 local terms energy: -357.268283 where: bonds (distance) C4'-P energy: -72.295 bonds (distance) P-C4' energy: -63.233 flat angles C4'-P-C4' energy: -72.168 flat angles P-C4'-P energy: -52.621 tors. eta vs tors. theta energy: -96.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1169.341587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.341587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.341587 (E_RNA) where: Base-Base interactions energy: -825.927 where: short stacking energy: -353.289 Base-Backbone interact. energy: -2.347 local terms energy: -341.067597 where: bonds (distance) C4'-P energy: -53.434 bonds (distance) P-C4' energy: -65.671 flat angles C4'-P-C4' energy: -71.851 flat angles P-C4'-P energy: -51.340 tors. eta vs tors. theta energy: -98.771 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: 3, replica: 10 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1103.800107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.800107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.800107 (E_RNA) where: Base-Base interactions energy: -768.269 where: short stacking energy: -306.977 Base-Backbone interact. energy: 0.400 local terms energy: -335.931133 where: bonds (distance) C4'-P energy: -62.552 bonds (distance) P-C4' energy: -59.934 flat angles C4'-P-C4' energy: -73.046 flat angles P-C4'-P energy: -49.071 tors. eta vs tors. theta energy: -91.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1057.091308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.091308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.091308 (E_RNA) where: Base-Base interactions energy: -742.176 where: short stacking energy: -300.000 Base-Backbone interact. energy: -1.805 local terms energy: -313.110220 where: bonds (distance) C4'-P energy: -62.074 bonds (distance) P-C4' energy: -55.673 flat angles C4'-P-C4' energy: -71.857 flat angles P-C4'-P energy: -42.742 tors. eta vs tors. theta energy: -80.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1029.784559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.784559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.784559 (E_RNA) where: Base-Base interactions energy: -695.128 where: short stacking energy: -311.975 Base-Backbone interact. energy: -0.948 local terms energy: -333.708177 where: bonds (distance) C4'-P energy: -48.549 bonds (distance) P-C4' energy: -59.361 flat angles C4'-P-C4' energy: -73.425 flat angles P-C4'-P energy: -56.092 tors. eta vs tors. theta energy: -96.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -926.338006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.338006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.338006 (E_RNA) where: Base-Base interactions energy: -635.497 where: short stacking energy: -284.000 Base-Backbone interact. energy: 1.880 local terms energy: -292.720264 where: bonds (distance) C4'-P energy: -51.038 bonds (distance) P-C4' energy: -56.401 flat angles C4'-P-C4' energy: -63.017 flat angles P-C4'-P energy: -48.609 tors. eta vs tors. theta energy: -73.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -706.210443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.210443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.210443 (E_RNA) where: Base-Base interactions energy: -477.648 where: short stacking energy: -212.708 Base-Backbone interact. energy: -1.169 local terms energy: -227.393121 where: bonds (distance) C4'-P energy: -38.048 bonds (distance) P-C4' energy: -63.789 flat angles C4'-P-C4' energy: -48.716 flat angles P-C4'-P energy: -36.702 tors. eta vs tors. theta energy: -40.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -530.802545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.802545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.802545 (E_RNA) where: Base-Base interactions energy: -317.254 where: short stacking energy: -152.169 Base-Backbone interact. energy: -0.329 local terms energy: -213.219551 where: bonds (distance) C4'-P energy: -48.811 bonds (distance) P-C4' energy: -54.720 flat angles C4'-P-C4' energy: -51.501 flat angles P-C4'-P energy: -39.890 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: 9, replica: 5 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -485.600990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.600990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.600990 (E_RNA) where: Base-Base interactions energy: -272.622 where: short stacking energy: -143.142 Base-Backbone interact. energy: -0.408 local terms energy: -212.570939 where: bonds (distance) C4'-P energy: -42.241 bonds (distance) P-C4' energy: -43.866 flat angles C4'-P-C4' energy: -59.921 flat angles P-C4'-P energy: -48.455 tors. eta vs tors. theta energy: -18.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -317.576146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.576146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.576146 (E_RNA) where: Base-Base interactions energy: -124.685 where: short stacking energy: -81.979 Base-Backbone interact. energy: 3.737 local terms energy: -196.627490 where: bonds (distance) C4'-P energy: -64.673 bonds (distance) P-C4' energy: -51.252 flat angles C4'-P-C4' energy: -49.253 flat angles P-C4'-P energy: -31.879 tors. eta vs tors. theta energy: 0.429 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: 9 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1180.441022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.441022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.441022 (E_RNA) where: Base-Base interactions energy: -809.412 where: short stacking energy: -346.094 Base-Backbone interact. energy: -0.726 local terms energy: -370.302738 where: bonds (distance) C4'-P energy: -69.279 bonds (distance) P-C4' energy: -73.275 flat angles C4'-P-C4' energy: -75.605 flat angles P-C4'-P energy: -50.450 tors. eta vs tors. theta energy: -101.695 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: 10 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1111.997625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.997625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.997625 (E_RNA) where: Base-Base interactions energy: -771.458 where: short stacking energy: -332.134 Base-Backbone interact. energy: -0.786 local terms energy: -339.753805 where: bonds (distance) C4'-P energy: -59.309 bonds (distance) P-C4' energy: -56.864 flat angles C4'-P-C4' energy: -73.140 flat angles P-C4'-P energy: -53.505 tors. eta vs tors. theta energy: -96.936 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: 3, replica: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1136.036287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.036287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.036287 (E_RNA) where: Base-Base interactions energy: -805.173 where: short stacking energy: -338.872 Base-Backbone interact. energy: -0.730 local terms energy: -330.133810 where: bonds (distance) C4'-P energy: -52.751 bonds (distance) P-C4' energy: -61.665 flat angles C4'-P-C4' energy: -67.469 flat angles P-C4'-P energy: -49.820 tors. eta vs tors. theta energy: -98.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1060.690899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.690899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.690899 (E_RNA) where: Base-Base interactions energy: -734.685 where: short stacking energy: -356.512 Base-Backbone interact. energy: 0.055 local terms energy: -326.061480 where: bonds (distance) C4'-P energy: -54.352 bonds (distance) P-C4' energy: -50.890 flat angles C4'-P-C4' energy: -75.115 flat angles P-C4'-P energy: -42.697 tors. eta vs tors. theta energy: -103.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1021.616654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.616654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.616654 (E_RNA) where: Base-Base interactions energy: -707.461 where: short stacking energy: -288.962 Base-Backbone interact. energy: -0.677 local terms energy: -313.478709 where: bonds (distance) C4'-P energy: -59.084 bonds (distance) P-C4' energy: -62.162 flat angles C4'-P-C4' energy: -66.871 flat angles P-C4'-P energy: -39.754 tors. eta vs tors. theta energy: -85.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -925.372389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.372389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.372389 (E_RNA) where: Base-Base interactions energy: -630.433 where: short stacking energy: -269.314 Base-Backbone interact. energy: -1.077 local terms energy: -293.862396 where: bonds (distance) C4'-P energy: -48.433 bonds (distance) P-C4' energy: -64.196 flat angles C4'-P-C4' energy: -66.988 flat angles P-C4'-P energy: -41.233 tors. eta vs tors. theta energy: -73.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -758.944106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.944106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.944106 (E_RNA) where: Base-Base interactions energy: -496.772 where: short stacking energy: -235.211 Base-Backbone interact. energy: 1.146 local terms energy: -263.317542 where: bonds (distance) C4'-P energy: -47.497 bonds (distance) P-C4' energy: -57.716 flat angles C4'-P-C4' energy: -56.318 flat angles P-C4'-P energy: -43.100 tors. eta vs tors. theta energy: -58.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -565.040044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.040044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.040044 (E_RNA) where: Base-Base interactions energy: -336.177 where: short stacking energy: -170.855 Base-Backbone interact. energy: -1.866 local terms energy: -226.997348 where: bonds (distance) C4'-P energy: -53.667 bonds (distance) P-C4' energy: -56.634 flat angles C4'-P-C4' energy: -48.759 flat angles P-C4'-P energy: -38.059 tors. eta vs tors. theta energy: -29.878 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: 5 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -501.158930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.158930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.158930 (E_RNA) where: Base-Base interactions energy: -295.875 where: short stacking energy: -173.587 Base-Backbone interact. energy: -1.273 local terms energy: -204.010875 where: bonds (distance) C4'-P energy: -32.401 bonds (distance) P-C4' energy: -56.451 flat angles C4'-P-C4' energy: -46.757 flat angles P-C4'-P energy: -31.330 tors. eta vs tors. theta energy: -37.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -331.774106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.774106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.774106 (E_RNA) where: Base-Base interactions energy: -141.426 where: short stacking energy: -91.853 Base-Backbone interact. energy: -2.409 local terms energy: -187.939036 where: bonds (distance) C4'-P energy: -51.854 bonds (distance) P-C4' energy: -48.662 flat angles C4'-P-C4' energy: -50.138 flat angles P-C4'-P energy: -34.802 tors. eta vs tors. theta energy: -2.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1164.648311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.648311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.648311 (E_RNA) where: Base-Base interactions energy: -807.433 where: short stacking energy: -340.642 Base-Backbone interact. energy: -0.765 local terms energy: -356.450304 where: bonds (distance) C4'-P energy: -63.738 bonds (distance) P-C4' energy: -63.642 flat angles C4'-P-C4' energy: -74.336 flat angles P-C4'-P energy: -51.254 tors. eta vs tors. theta energy: -103.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1136.924567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.924567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.924567 (E_RNA) where: Base-Base interactions energy: -800.874 where: short stacking energy: -339.505 Base-Backbone interact. energy: -0.088 local terms energy: -335.963133 where: bonds (distance) C4'-P energy: -70.212 bonds (distance) P-C4' energy: -53.949 flat angles C4'-P-C4' energy: -73.026 flat angles P-C4'-P energy: -47.500 tors. eta vs tors. theta energy: -91.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1132.887875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.887875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.887875 (E_RNA) where: Base-Base interactions energy: -777.502 where: short stacking energy: -330.091 Base-Backbone interact. energy: 0.368 local terms energy: -355.754077 where: bonds (distance) C4'-P energy: -61.609 bonds (distance) P-C4' energy: -64.141 flat angles C4'-P-C4' energy: -74.579 flat angles P-C4'-P energy: -46.734 tors. eta vs tors. theta energy: -108.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1047.339956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.339956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.339956 (E_RNA) where: Base-Base interactions energy: -701.106 where: short stacking energy: -319.802 Base-Backbone interact. energy: -0.318 local terms energy: -345.915850 where: bonds (distance) C4'-P energy: -67.123 bonds (distance) P-C4' energy: -64.977 flat angles C4'-P-C4' energy: -72.244 flat angles P-C4'-P energy: -44.779 tors. eta vs tors. theta energy: -96.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -987.107536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.107536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.107536 (E_RNA) where: Base-Base interactions energy: -678.210 where: short stacking energy: -289.051 Base-Backbone interact. energy: -0.581 local terms energy: -308.316408 where: bonds (distance) C4'-P energy: -55.063 bonds (distance) P-C4' energy: -67.245 flat angles C4'-P-C4' energy: -63.049 flat angles P-C4'-P energy: -41.672 tors. eta vs tors. theta energy: -81.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -992.274743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.274743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.274743 (E_RNA) where: Base-Base interactions energy: -704.283 where: short stacking energy: -284.023 Base-Backbone interact. energy: 0.977 local terms energy: -288.968034 where: bonds (distance) C4'-P energy: -55.755 bonds (distance) P-C4' energy: -57.496 flat angles C4'-P-C4' energy: -61.859 flat angles P-C4'-P energy: -39.821 tors. eta vs tors. theta energy: -74.036 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: 6 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -697.697195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.697195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.697195 (E_RNA) where: Base-Base interactions energy: -452.203 where: short stacking energy: -199.519 Base-Backbone interact. energy: 2.641 local terms energy: -248.135562 where: bonds (distance) C4'-P energy: -52.001 bonds (distance) P-C4' energy: -61.684 flat angles C4'-P-C4' energy: -61.376 flat angles P-C4'-P energy: -32.530 tors. eta vs tors. theta energy: -40.545 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: 2 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -566.684143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.684143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.684143 (E_RNA) where: Base-Base interactions energy: -335.975 where: short stacking energy: -183.405 Base-Backbone interact. energy: -2.950 local terms energy: -227.759386 where: bonds (distance) C4'-P energy: -68.612 bonds (distance) P-C4' energy: -39.788 flat angles C4'-P-C4' energy: -46.208 flat angles P-C4'-P energy: -35.807 tors. eta vs tors. theta energy: -37.345 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: 9, replica: 5 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -485.028211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.028211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.028211 (E_RNA) where: Base-Base interactions energy: -293.901 where: short stacking energy: -144.788 Base-Backbone interact. energy: 1.866 local terms energy: -192.993067 where: bonds (distance) C4'-P energy: -39.738 bonds (distance) P-C4' energy: -57.953 flat angles C4'-P-C4' energy: -40.342 flat angles P-C4'-P energy: -38.222 tors. eta vs tors. theta energy: -16.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -373.046422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.046422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.046422 (E_RNA) where: Base-Base interactions energy: -176.143 where: short stacking energy: -103.835 Base-Backbone interact. energy: -1.363 local terms energy: -195.540329 where: bonds (distance) C4'-P energy: -44.417 bonds (distance) P-C4' energy: -63.888 flat angles C4'-P-C4' energy: -40.621 flat angles P-C4'-P energy: -34.174 tors. eta vs tors. theta energy: -12.440 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: 1, replica: 9 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1164.976369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.976369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.976369 (E_RNA) where: Base-Base interactions energy: -803.804 where: short stacking energy: -350.700 Base-Backbone interact. energy: -0.764 local terms energy: -360.409159 where: bonds (distance) C4'-P energy: -72.895 bonds (distance) P-C4' energy: -63.562 flat angles C4'-P-C4' energy: -74.615 flat angles P-C4'-P energy: -48.178 tors. eta vs tors. theta energy: -101.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1135.734562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.734562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.734562 (E_RNA) where: Base-Base interactions energy: -782.227 where: short stacking energy: -331.103 Base-Backbone interact. energy: -3.253 local terms energy: -350.254498 where: bonds (distance) C4'-P energy: -58.503 bonds (distance) P-C4' energy: -71.437 flat angles C4'-P-C4' energy: -71.789 flat angles P-C4'-P energy: -53.839 tors. eta vs tors. theta energy: -94.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1151.379830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.379830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.379830 (E_RNA) where: Base-Base interactions energy: -802.762 where: short stacking energy: -327.405 Base-Backbone interact. energy: -2.946 local terms energy: -345.671109 where: bonds (distance) C4'-P energy: -57.789 bonds (distance) P-C4' energy: -61.980 flat angles C4'-P-C4' energy: -78.436 flat angles P-C4'-P energy: -45.115 tors. eta vs tors. theta energy: -102.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1041.541079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.541079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.541079 (E_RNA) where: Base-Base interactions energy: -696.637 where: short stacking energy: -323.924 Base-Backbone interact. energy: -0.280 local terms energy: -344.624519 where: bonds (distance) C4'-P energy: -62.083 bonds (distance) P-C4' energy: -65.411 flat angles C4'-P-C4' energy: -71.522 flat angles P-C4'-P energy: -50.559 tors. eta vs tors. theta energy: -95.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1008.359353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.359353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.359353 (E_RNA) where: Base-Base interactions energy: -681.227 where: short stacking energy: -309.896 Base-Backbone interact. energy: -1.490 local terms energy: -325.642756 where: bonds (distance) C4'-P energy: -60.536 bonds (distance) P-C4' energy: -73.124 flat angles C4'-P-C4' energy: -65.199 flat angles P-C4'-P energy: -40.458 tors. eta vs tors. theta energy: -86.325 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: 1 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -992.617404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.617404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.617404 (E_RNA) where: Base-Base interactions energy: -688.774 where: short stacking energy: -273.780 Base-Backbone interact. energy: -1.295 local terms energy: -302.548122 where: bonds (distance) C4'-P energy: -50.892 bonds (distance) P-C4' energy: -65.709 flat angles C4'-P-C4' energy: -66.096 flat angles P-C4'-P energy: -42.715 tors. eta vs tors. theta energy: -77.136 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: 6 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -754.234724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.234724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.234724 (E_RNA) where: Base-Base interactions energy: -503.693 where: short stacking energy: -205.142 Base-Backbone interact. energy: 3.872 local terms energy: -254.414176 where: bonds (distance) C4'-P energy: -47.239 bonds (distance) P-C4' energy: -61.595 flat angles C4'-P-C4' energy: -58.921 flat angles P-C4'-P energy: -42.096 tors. eta vs tors. theta energy: -44.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -544.883218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.883218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.883218 (E_RNA) where: Base-Base interactions energy: -318.557 where: short stacking energy: -180.947 Base-Backbone interact. energy: -0.941 local terms energy: -225.384997 where: bonds (distance) C4'-P energy: -52.710 bonds (distance) P-C4' energy: -53.667 flat angles C4'-P-C4' energy: -48.655 flat angles P-C4'-P energy: -34.597 tors. eta vs tors. theta energy: -35.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -486.052278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.052278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.052278 (E_RNA) where: Base-Base interactions energy: -266.133 where: short stacking energy: -140.178 Base-Backbone interact. energy: 0.205 local terms energy: -220.123715 where: bonds (distance) C4'-P energy: -44.184 bonds (distance) P-C4' energy: -64.856 flat angles C4'-P-C4' energy: -56.552 flat angles P-C4'-P energy: -34.472 tors. eta vs tors. theta energy: -20.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -319.304304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.304304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.304304 (E_RNA) where: Base-Base interactions energy: -143.467 where: short stacking energy: -91.327 Base-Backbone interact. energy: 2.510 local terms energy: -178.346937 where: bonds (distance) C4'-P energy: -48.172 bonds (distance) P-C4' energy: -65.625 flat angles C4'-P-C4' energy: -54.547 flat angles P-C4'-P energy: -20.815 tors. eta vs tors. theta energy: 10.812 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: 9 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1152.271236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.271236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.271236 (E_RNA) where: Base-Base interactions energy: -790.478 where: short stacking energy: -340.866 Base-Backbone interact. energy: 0.397 local terms energy: -362.189862 where: bonds (distance) C4'-P energy: -57.531 bonds (distance) P-C4' energy: -70.850 flat angles C4'-P-C4' energy: -78.471 flat angles P-C4'-P energy: -54.503 tors. eta vs tors. theta energy: -100.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1116.116326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.116326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.116326 (E_RNA) where: Base-Base interactions energy: -769.620 where: short stacking energy: -337.446 Base-Backbone interact. energy: -1.987 local terms energy: -344.509221 where: bonds (distance) C4'-P energy: -60.637 bonds (distance) P-C4' energy: -63.266 flat angles C4'-P-C4' energy: -77.902 flat angles P-C4'-P energy: -46.464 tors. eta vs tors. theta energy: -96.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1161.912889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.912889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.912889 (E_RNA) where: Base-Base interactions energy: -812.796 where: short stacking energy: -335.222 Base-Backbone interact. energy: -1.106 local terms energy: -348.011005 where: bonds (distance) C4'-P energy: -58.194 bonds (distance) P-C4' energy: -61.634 flat angles C4'-P-C4' energy: -70.250 flat angles P-C4'-P energy: -52.580 tors. eta vs tors. theta energy: -105.352 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: 3 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1057.724575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.724575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.724575 (E_RNA) where: Base-Base interactions energy: -714.629 where: short stacking energy: -324.551 Base-Backbone interact. energy: -0.790 local terms energy: -342.305917 where: bonds (distance) C4'-P energy: -70.171 bonds (distance) P-C4' energy: -57.126 flat angles C4'-P-C4' energy: -74.086 flat angles P-C4'-P energy: -41.603 tors. eta vs tors. theta energy: -99.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1048.720816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.720816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.720816 (E_RNA) where: Base-Base interactions energy: -743.968 where: short stacking energy: -311.133 Base-Backbone interact. energy: 1.006 local terms energy: -305.758135 where: bonds (distance) C4'-P energy: -56.158 bonds (distance) P-C4' energy: -66.387 flat angles C4'-P-C4' energy: -58.220 flat angles P-C4'-P energy: -45.285 tors. eta vs tors. theta energy: -79.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -958.384740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.384740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.384740 (E_RNA) where: Base-Base interactions energy: -663.794 where: short stacking energy: -288.350 Base-Backbone interact. energy: -0.963 local terms energy: -293.627445 where: bonds (distance) C4'-P energy: -54.979 bonds (distance) P-C4' energy: -51.574 flat angles C4'-P-C4' energy: -64.247 flat angles P-C4'-P energy: -42.096 tors. eta vs tors. theta energy: -80.731 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: 6 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -797.674706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.674706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.674706 (E_RNA) where: Base-Base interactions energy: -532.379 where: short stacking energy: -242.588 Base-Backbone interact. energy: -1.443 local terms energy: -263.852211 where: bonds (distance) C4'-P energy: -52.559 bonds (distance) P-C4' energy: -66.263 flat angles C4'-P-C4' energy: -50.171 flat angles P-C4'-P energy: -39.829 tors. eta vs tors. theta energy: -55.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -568.847544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.847544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.847544 (E_RNA) where: Base-Base interactions energy: -321.287 where: short stacking energy: -179.599 Base-Backbone interact. energy: 0.487 local terms energy: -248.047282 where: bonds (distance) C4'-P energy: -54.529 bonds (distance) P-C4' energy: -62.285 flat angles C4'-P-C4' energy: -46.284 flat angles P-C4'-P energy: -34.153 tors. eta vs tors. theta energy: -50.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -463.709928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.709928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.709928 (E_RNA) where: Base-Base interactions energy: -248.194 where: short stacking energy: -149.607 Base-Backbone interact. energy: 1.956 local terms energy: -217.471626 where: bonds (distance) C4'-P energy: -43.787 bonds (distance) P-C4' energy: -59.042 flat angles C4'-P-C4' energy: -54.117 flat angles P-C4'-P energy: -32.932 tors. eta vs tors. theta energy: -27.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -323.094336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.094336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.094336 (E_RNA) where: Base-Base interactions energy: -151.688 where: short stacking energy: -113.035 Base-Backbone interact. energy: 0.636 local terms energy: -172.041643 where: bonds (distance) C4'-P energy: -57.663 bonds (distance) P-C4' energy: -58.211 flat angles C4'-P-C4' energy: -42.712 flat angles P-C4'-P energy: -16.366 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: 1, replica: 9 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1175.612447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.612447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.612447 (E_RNA) where: Base-Base interactions energy: -826.910 where: short stacking energy: -326.001 Base-Backbone interact. energy: -0.503 local terms energy: -348.199131 where: bonds (distance) C4'-P energy: -67.028 bonds (distance) P-C4' energy: -72.643 flat angles C4'-P-C4' energy: -69.470 flat angles P-C4'-P energy: -47.141 tors. eta vs tors. theta energy: -91.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1124.875657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.875657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.875657 (E_RNA) where: Base-Base interactions energy: -787.917 where: short stacking energy: -331.252 Base-Backbone interact. energy: -0.787 local terms energy: -336.171449 where: bonds (distance) C4'-P energy: -63.961 bonds (distance) P-C4' energy: -55.124 flat angles C4'-P-C4' energy: -70.761 flat angles P-C4'-P energy: -47.833 tors. eta vs tors. theta energy: -98.492 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: 8 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1163.750071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.750071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.750071 (E_RNA) where: Base-Base interactions energy: -794.123 where: short stacking energy: -331.281 Base-Backbone interact. energy: -1.277 local terms energy: -368.349956 where: bonds (distance) C4'-P energy: -66.395 bonds (distance) P-C4' energy: -66.672 flat angles C4'-P-C4' energy: -82.871 flat angles P-C4'-P energy: -52.157 tors. eta vs tors. theta energy: -100.256 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: 4, replica: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1070.066320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.066320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.066320 (E_RNA) where: Base-Base interactions energy: -731.529 where: short stacking energy: -329.814 Base-Backbone interact. energy: -1.669 local terms energy: -336.868374 where: bonds (distance) C4'-P energy: -59.901 bonds (distance) P-C4' energy: -66.467 flat angles C4'-P-C4' energy: -76.483 flat angles P-C4'-P energy: -32.294 tors. eta vs tors. theta energy: -101.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1043.812860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.812860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.812860 (E_RNA) where: Base-Base interactions energy: -714.174 where: short stacking energy: -305.333 Base-Backbone interact. energy: -1.398 local terms energy: -328.241157 where: bonds (distance) C4'-P energy: -58.089 bonds (distance) P-C4' energy: -55.930 flat angles C4'-P-C4' energy: -72.453 flat angles P-C4'-P energy: -50.974 tors. eta vs tors. theta energy: -90.794 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: 4 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -954.133722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.133722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.133722 (E_RNA) where: Base-Base interactions energy: -649.884 where: short stacking energy: -271.519 Base-Backbone interact. energy: -1.217 local terms energy: -303.032344 where: bonds (distance) C4'-P energy: -63.859 bonds (distance) P-C4' energy: -56.098 flat angles C4'-P-C4' energy: -70.123 flat angles P-C4'-P energy: -42.082 tors. eta vs tors. theta energy: -70.871 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: 6 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -757.687535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.687535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.687535 (E_RNA) where: Base-Base interactions energy: -501.487 where: short stacking energy: -215.844 Base-Backbone interact. energy: -0.594 local terms energy: -255.607301 where: bonds (distance) C4'-P energy: -44.566 bonds (distance) P-C4' energy: -68.415 flat angles C4'-P-C4' energy: -48.206 flat angles P-C4'-P energy: -41.864 tors. eta vs tors. theta energy: -52.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -566.597488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.597488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.597488 (E_RNA) where: Base-Base interactions energy: -343.566 where: short stacking energy: -171.035 Base-Backbone interact. energy: -0.984 local terms energy: -222.047761 where: bonds (distance) C4'-P energy: -52.793 bonds (distance) P-C4' energy: -57.953 flat angles C4'-P-C4' energy: -46.686 flat angles P-C4'-P energy: -38.050 tors. eta vs tors. theta energy: -26.565 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: 5 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -472.198360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.198360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.198360 (E_RNA) where: Base-Base interactions energy: -262.134 where: short stacking energy: -130.194 Base-Backbone interact. energy: -3.282 local terms energy: -206.782517 where: bonds (distance) C4'-P energy: -35.630 bonds (distance) P-C4' energy: -63.816 flat angles C4'-P-C4' energy: -53.860 flat angles P-C4'-P energy: -37.483 tors. eta vs tors. theta energy: -15.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -288.988433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.988433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.988433 (E_RNA) where: Base-Base interactions energy: -106.573 where: short stacking energy: -74.095 Base-Backbone interact. energy: 0.818 local terms energy: -183.232950 where: bonds (distance) C4'-P energy: -56.699 bonds (distance) P-C4' energy: -55.372 flat angles C4'-P-C4' energy: -48.896 flat angles P-C4'-P energy: -29.748 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: 1, replica: 9 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1164.316344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.316344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.316344 (E_RNA) where: Base-Base interactions energy: -799.858 where: short stacking energy: -348.729 Base-Backbone interact. energy: -1.161 local terms energy: -363.297364 where: bonds (distance) C4'-P energy: -64.844 bonds (distance) P-C4' energy: -70.752 flat angles C4'-P-C4' energy: -73.992 flat angles P-C4'-P energy: -53.796 tors. eta vs tors. theta energy: -99.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1112.199326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.199326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.199326 (E_RNA) where: Base-Base interactions energy: -768.393 where: short stacking energy: -345.833 Base-Backbone interact. energy: -1.164 local terms energy: -342.643187 where: bonds (distance) C4'-P energy: -62.506 bonds (distance) P-C4' energy: -59.673 flat angles C4'-P-C4' energy: -78.301 flat angles P-C4'-P energy: -43.783 tors. eta vs tors. theta energy: -98.379 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: 8 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1143.057702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.057702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.057702 (E_RNA) where: Base-Base interactions energy: -801.832 where: short stacking energy: -343.459 Base-Backbone interact. energy: -2.874 local terms energy: -338.351382 where: bonds (distance) C4'-P energy: -66.587 bonds (distance) P-C4' energy: -63.108 flat angles C4'-P-C4' energy: -66.506 flat angles P-C4'-P energy: -48.907 tors. eta vs tors. theta energy: -93.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1030.623192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.623192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.623192 (E_RNA) where: Base-Base interactions energy: -701.892 where: short stacking energy: -291.015 Base-Backbone interact. energy: -2.028 local terms energy: -326.702560 where: bonds (distance) C4'-P energy: -64.053 bonds (distance) P-C4' energy: -57.404 flat angles C4'-P-C4' energy: -64.564 flat angles P-C4'-P energy: -42.414 tors. eta vs tors. theta energy: -98.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1064.357811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.357811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.357811 (E_RNA) where: Base-Base interactions energy: -755.523 where: short stacking energy: -287.185 Base-Backbone interact. energy: -2.364 local terms energy: -306.470682 where: bonds (distance) C4'-P energy: -64.388 bonds (distance) P-C4' energy: -52.255 flat angles C4'-P-C4' energy: -58.204 flat angles P-C4'-P energy: -47.456 tors. eta vs tors. theta energy: -84.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -953.408557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.408557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.408557 (E_RNA) where: Base-Base interactions energy: -655.231 where: short stacking energy: -260.394 Base-Backbone interact. energy: 0.583 local terms energy: -298.760548 where: bonds (distance) C4'-P energy: -58.018 bonds (distance) P-C4' energy: -55.255 flat angles C4'-P-C4' energy: -73.267 flat angles P-C4'-P energy: -45.874 tors. eta vs tors. theta energy: -66.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -742.308325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.308325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.308325 (E_RNA) where: Base-Base interactions energy: -494.221 where: short stacking energy: -218.502 Base-Backbone interact. energy: -2.856 local terms energy: -245.231183 where: bonds (distance) C4'-P energy: -46.724 bonds (distance) P-C4' energy: -60.601 flat angles C4'-P-C4' energy: -57.446 flat angles P-C4'-P energy: -35.162 tors. eta vs tors. theta energy: -45.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -581.297549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.297549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.297549 (E_RNA) where: Base-Base interactions energy: -366.550 where: short stacking energy: -171.496 Base-Backbone interact. energy: 1.450 local terms energy: -216.198181 where: bonds (distance) C4'-P energy: -47.170 bonds (distance) P-C4' energy: -47.863 flat angles C4'-P-C4' energy: -57.951 flat angles P-C4'-P energy: -36.694 tors. eta vs tors. theta energy: -26.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -477.960782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.960782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.960782 (E_RNA) where: Base-Base interactions energy: -264.740 where: short stacking energy: -137.005 Base-Backbone interact. energy: 1.769 local terms energy: -214.990010 where: bonds (distance) C4'-P energy: -51.016 bonds (distance) P-C4' energy: -56.992 flat angles C4'-P-C4' energy: -66.492 flat angles P-C4'-P energy: -28.632 tors. eta vs tors. theta energy: -11.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -273.488821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.488821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.488821 (E_RNA) where: Base-Base interactions energy: -116.828 where: short stacking energy: -104.287 Base-Backbone interact. energy: 0.493 local terms energy: -157.153596 where: bonds (distance) C4'-P energy: -47.516 bonds (distance) P-C4' energy: -49.599 flat angles C4'-P-C4' energy: -47.155 flat angles P-C4'-P energy: -19.446 tors. eta vs tors. theta energy: 6.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1158.232792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.232792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.232792 (E_RNA) where: Base-Base interactions energy: -803.864 where: short stacking energy: -346.258 Base-Backbone interact. energy: -0.609 local terms energy: -353.760438 where: bonds (distance) C4'-P energy: -64.246 bonds (distance) P-C4' energy: -63.243 flat angles C4'-P-C4' energy: -72.537 flat angles P-C4'-P energy: -56.569 tors. eta vs tors. theta energy: -97.166 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: 10 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1110.527403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.527403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.527403 (E_RNA) where: Base-Base interactions energy: -773.899 where: short stacking energy: -326.638 Base-Backbone interact. energy: -1.315 local terms energy: -335.313691 where: bonds (distance) C4'-P energy: -64.655 bonds (distance) P-C4' energy: -60.944 flat angles C4'-P-C4' energy: -75.355 flat angles P-C4'-P energy: -43.330 tors. eta vs tors. theta energy: -91.030 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: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1154.198730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.198730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.198730 (E_RNA) where: Base-Base interactions energy: -809.363 where: short stacking energy: -331.899 Base-Backbone interact. energy: -1.758 local terms energy: -343.077348 where: bonds (distance) C4'-P energy: -67.475 bonds (distance) P-C4' energy: -56.599 flat angles C4'-P-C4' energy: -71.918 flat angles P-C4'-P energy: -45.169 tors. eta vs tors. theta energy: -101.916 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: 429 Temperature: 1.050000 Total energy: -1073.611337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.611337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.611337 (E_RNA) where: Base-Base interactions energy: -756.902 where: short stacking energy: -310.231 Base-Backbone interact. energy: -0.292 local terms energy: -316.417417 where: bonds (distance) C4'-P energy: -57.989 bonds (distance) P-C4' energy: -55.636 flat angles C4'-P-C4' energy: -68.592 flat angles P-C4'-P energy: -45.574 tors. eta vs tors. theta energy: -88.626 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: 3 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1028.531739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.531739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.531739 (E_RNA) where: Base-Base interactions energy: -704.748 where: short stacking energy: -313.334 Base-Backbone interact. energy: 1.314 local terms energy: -325.097223 where: bonds (distance) C4'-P energy: -66.189 bonds (distance) P-C4' energy: -56.157 flat angles C4'-P-C4' energy: -55.987 flat angles P-C4'-P energy: -45.832 tors. eta vs tors. theta energy: -100.932 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: 4 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -940.683257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.683257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.683257 (E_RNA) where: Base-Base interactions energy: -628.530 where: short stacking energy: -259.637 Base-Backbone interact. energy: -1.393 local terms energy: -310.760900 where: bonds (distance) C4'-P energy: -58.441 bonds (distance) P-C4' energy: -61.545 flat angles C4'-P-C4' energy: -73.119 flat angles P-C4'-P energy: -37.728 tors. eta vs tors. theta energy: -79.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -774.912660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.912660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.912660 (E_RNA) where: Base-Base interactions energy: -514.590 where: short stacking energy: -219.013 Base-Backbone interact. energy: -0.051 local terms energy: -260.272067 where: bonds (distance) C4'-P energy: -50.296 bonds (distance) P-C4' energy: -57.294 flat angles C4'-P-C4' energy: -54.553 flat angles P-C4'-P energy: -50.809 tors. eta vs tors. theta energy: -47.320 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: 2 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -595.971051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.971051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.971051 (E_RNA) where: Base-Base interactions energy: -356.564 where: short stacking energy: -174.146 Base-Backbone interact. energy: 3.580 local terms energy: -242.987074 where: bonds (distance) C4'-P energy: -44.869 bonds (distance) P-C4' energy: -55.995 flat angles C4'-P-C4' energy: -63.791 flat angles P-C4'-P energy: -34.950 tors. eta vs tors. theta energy: -43.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -475.232720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.232720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.232720 (E_RNA) where: Base-Base interactions energy: -262.470 where: short stacking energy: -129.258 Base-Backbone interact. energy: 2.381 local terms energy: -215.143736 where: bonds (distance) C4'-P energy: -56.753 bonds (distance) P-C4' energy: -57.174 flat angles C4'-P-C4' energy: -54.460 flat angles P-C4'-P energy: -41.923 tors. eta vs tors. theta energy: -4.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -290.769645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.769645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.769645 (E_RNA) where: Base-Base interactions energy: -126.203 where: short stacking energy: -103.233 Base-Backbone interact. energy: -0.595 local terms energy: -163.971140 where: bonds (distance) C4'-P energy: -45.562 bonds (distance) P-C4' energy: -47.765 flat angles C4'-P-C4' energy: -40.523 flat angles P-C4'-P energy: -25.614 tors. eta vs tors. theta energy: -4.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1136.743605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.743605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.743605 (E_RNA) where: Base-Base interactions energy: -798.694 where: short stacking energy: -338.588 Base-Backbone interact. energy: -0.136 local terms energy: -337.913044 where: bonds (distance) C4'-P energy: -56.423 bonds (distance) P-C4' energy: -63.028 flat angles C4'-P-C4' energy: -78.103 flat angles P-C4'-P energy: -42.911 tors. eta vs tors. theta energy: -97.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1138.084614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.084614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.084614 (E_RNA) where: Base-Base interactions energy: -796.210 where: short stacking energy: -333.805 Base-Backbone interact. energy: 1.106 local terms energy: -342.980248 where: bonds (distance) C4'-P energy: -72.194 bonds (distance) P-C4' energy: -62.606 flat angles C4'-P-C4' energy: -71.991 flat angles P-C4'-P energy: -33.800 tors. eta vs tors. theta energy: -102.388 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: 8 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1156.064567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.064567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.064567 (E_RNA) where: Base-Base interactions energy: -800.851 where: short stacking energy: -332.617 Base-Backbone interact. energy: -1.764 local terms energy: -353.449259 where: bonds (distance) C4'-P energy: -61.946 bonds (distance) P-C4' energy: -60.998 flat angles C4'-P-C4' energy: -76.409 flat angles P-C4'-P energy: -51.402 tors. eta vs tors. theta energy: -102.694 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: 1 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1066.964873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.964873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.964873 (E_RNA) where: Base-Base interactions energy: -749.985 where: short stacking energy: -298.478 Base-Backbone interact. energy: -0.579 local terms energy: -316.400377 where: bonds (distance) C4'-P energy: -56.401 bonds (distance) P-C4' energy: -71.497 flat angles C4'-P-C4' energy: -64.501 flat angles P-C4'-P energy: -40.917 tors. eta vs tors. theta energy: -83.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1023.527842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.527842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.527842 (E_RNA) where: Base-Base interactions energy: -696.262 where: short stacking energy: -321.957 Base-Backbone interact. energy: 0.890 local terms energy: -328.155625 where: bonds (distance) C4'-P energy: -50.805 bonds (distance) P-C4' energy: -52.305 flat angles C4'-P-C4' energy: -73.351 flat angles P-C4'-P energy: -53.359 tors. eta vs tors. theta energy: -98.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -939.242043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.242043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.242043 (E_RNA) where: Base-Base interactions energy: -640.525 where: short stacking energy: -256.794 Base-Backbone interact. energy: -0.226 local terms energy: -298.490681 where: bonds (distance) C4'-P energy: -51.391 bonds (distance) P-C4' energy: -56.157 flat angles C4'-P-C4' energy: -72.812 flat angles P-C4'-P energy: -50.477 tors. eta vs tors. theta energy: -67.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -755.399789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.399789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.399789 (E_RNA) where: Base-Base interactions energy: -501.509 where: short stacking energy: -210.974 Base-Backbone interact. energy: 2.457 local terms energy: -256.347525 where: bonds (distance) C4'-P energy: -55.433 bonds (distance) P-C4' energy: -60.717 flat angles C4'-P-C4' energy: -67.080 flat angles P-C4'-P energy: -34.534 tors. eta vs tors. theta energy: -38.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -581.882103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.882103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.882103 (E_RNA) where: Base-Base interactions energy: -338.955 where: short stacking energy: -173.762 Base-Backbone interact. energy: -0.033 local terms energy: -242.894409 where: bonds (distance) C4'-P energy: -60.585 bonds (distance) P-C4' energy: -58.939 flat angles C4'-P-C4' energy: -51.112 flat angles P-C4'-P energy: -42.175 tors. eta vs tors. theta energy: -30.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -470.811272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.811272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.811272 (E_RNA) where: Base-Base interactions energy: -262.121 where: short stacking energy: -131.974 Base-Backbone interact. energy: -0.708 local terms energy: -207.982384 where: bonds (distance) C4'-P energy: -58.995 bonds (distance) P-C4' energy: -55.757 flat angles C4'-P-C4' energy: -57.183 flat angles P-C4'-P energy: -30.757 tors. eta vs tors. theta energy: -5.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -267.564570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.564570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.564570 (E_RNA) where: Base-Base interactions energy: -104.584 where: short stacking energy: -93.174 Base-Backbone interact. energy: -1.028 local terms energy: -161.951926 where: bonds (distance) C4'-P energy: -48.954 bonds (distance) P-C4' energy: -44.906 flat angles C4'-P-C4' energy: -50.841 flat angles P-C4'-P energy: -21.678 tors. eta vs tors. theta energy: 4.427 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: 10 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1143.267477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.267477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.267477 (E_RNA) where: Base-Base interactions energy: -799.448 where: short stacking energy: -336.009 Base-Backbone interact. energy: -0.188 local terms energy: -343.632192 where: bonds (distance) C4'-P energy: -66.138 bonds (distance) P-C4' energy: -67.143 flat angles C4'-P-C4' energy: -69.864 flat angles P-C4'-P energy: -48.460 tors. eta vs tors. theta energy: -92.028 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: 8 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1154.731995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.731995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.731995 (E_RNA) where: Base-Base interactions energy: -807.463 where: short stacking energy: -328.882 Base-Backbone interact. energy: -1.702 local terms energy: -345.566849 where: bonds (distance) C4'-P energy: -58.318 bonds (distance) P-C4' energy: -64.384 flat angles C4'-P-C4' energy: -75.905 flat angles P-C4'-P energy: -50.963 tors. eta vs tors. theta energy: -95.997 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: 3, replica: 9 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1115.477829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.477829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.477829 (E_RNA) where: Base-Base interactions energy: -772.970 where: short stacking energy: -307.125 Base-Backbone interact. energy: -2.438 local terms energy: -340.070381 where: bonds (distance) C4'-P energy: -61.816 bonds (distance) P-C4' energy: -64.305 flat angles C4'-P-C4' energy: -73.589 flat angles P-C4'-P energy: -46.346 tors. eta vs tors. theta energy: -94.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1081.508381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.508381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.508381 (E_RNA) where: Base-Base interactions energy: -752.380 where: short stacking energy: -311.156 Base-Backbone interact. energy: -0.215 local terms energy: -328.913811 where: bonds (distance) C4'-P energy: -58.117 bonds (distance) P-C4' energy: -62.136 flat angles C4'-P-C4' energy: -75.739 flat angles P-C4'-P energy: -44.027 tors. eta vs tors. theta energy: -88.895 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: 3 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1045.065305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.065305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.065305 (E_RNA) where: Base-Base interactions energy: -710.266 where: short stacking energy: -330.853 Base-Backbone interact. energy: -0.716 local terms energy: -334.082723 where: bonds (distance) C4'-P energy: -67.290 bonds (distance) P-C4' energy: -49.968 flat angles C4'-P-C4' energy: -67.781 flat angles P-C4'-P energy: -43.759 tors. eta vs tors. theta energy: -105.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -927.142808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.142808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.142808 (E_RNA) where: Base-Base interactions energy: -644.156 where: short stacking energy: -263.770 Base-Backbone interact. energy: -0.892 local terms energy: -282.094498 where: bonds (distance) C4'-P energy: -58.451 bonds (distance) P-C4' energy: -62.009 flat angles C4'-P-C4' energy: -58.403 flat angles P-C4'-P energy: -38.602 tors. eta vs tors. theta energy: -64.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -774.700580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.700580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.700580 (E_RNA) where: Base-Base interactions energy: -527.276 where: short stacking energy: -223.979 Base-Backbone interact. energy: -2.125 local terms energy: -245.299033 where: bonds (distance) C4'-P energy: -50.427 bonds (distance) P-C4' energy: -52.937 flat angles C4'-P-C4' energy: -57.956 flat angles P-C4'-P energy: -27.609 tors. eta vs tors. theta energy: -56.369 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: 2 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -598.921247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.921247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.921247 (E_RNA) where: Base-Base interactions energy: -363.644 where: short stacking energy: -192.684 Base-Backbone interact. energy: 1.516 local terms energy: -236.792725 where: bonds (distance) C4'-P energy: -57.105 bonds (distance) P-C4' energy: -63.255 flat angles C4'-P-C4' energy: -45.224 flat angles P-C4'-P energy: -31.198 tors. eta vs tors. theta energy: -40.011 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: 5 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -470.914987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.914987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.914987 (E_RNA) where: Base-Base interactions energy: -275.468 where: short stacking energy: -146.384 Base-Backbone interact. energy: -3.614 local terms energy: -191.833082 where: bonds (distance) C4'-P energy: -57.119 bonds (distance) P-C4' energy: -49.186 flat angles C4'-P-C4' energy: -46.841 flat angles P-C4'-P energy: -31.877 tors. eta vs tors. theta energy: -6.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -366.066535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.066535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.066535 (E_RNA) where: Base-Base interactions energy: -165.253 where: short stacking energy: -97.030 Base-Backbone interact. energy: -1.294 local terms energy: -199.520128 where: bonds (distance) C4'-P energy: -56.370 bonds (distance) P-C4' energy: -67.417 flat angles C4'-P-C4' energy: -45.831 flat angles P-C4'-P energy: -28.200 tors. eta vs tors. theta energy: -1.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1193.872374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.872374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.872374 (E_RNA) where: Base-Base interactions energy: -831.651 where: short stacking energy: -344.265 Base-Backbone interact. energy: -1.509 local terms energy: -360.711610 where: bonds (distance) C4'-P energy: -75.202 bonds (distance) P-C4' energy: -67.722 flat angles C4'-P-C4' energy: -64.724 flat angles P-C4'-P energy: -51.102 tors. eta vs tors. theta energy: -101.962 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: 2, replica: 10 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1126.807435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.807435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.807435 (E_RNA) where: Base-Base interactions energy: -785.623 where: short stacking energy: -307.574 Base-Backbone interact. energy: -1.209 local terms energy: -339.975325 where: bonds (distance) C4'-P energy: -51.788 bonds (distance) P-C4' energy: -72.432 flat angles C4'-P-C4' energy: -72.680 flat angles P-C4'-P energy: -50.173 tors. eta vs tors. theta energy: -92.902 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: 3, replica: 9 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1118.365571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.365571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.365571 (E_RNA) where: Base-Base interactions energy: -780.229 where: short stacking energy: -326.428 Base-Backbone interact. energy: -0.637 local terms energy: -337.499657 where: bonds (distance) C4'-P energy: -59.294 bonds (distance) P-C4' energy: -71.145 flat angles C4'-P-C4' energy: -72.453 flat angles P-C4'-P energy: -37.587 tors. eta vs tors. theta energy: -97.021 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: 4, replica: 1 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1094.826979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.826979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.826979 (E_RNA) where: Base-Base interactions energy: -761.150 where: short stacking energy: -325.074 Base-Backbone interact. energy: 0.723 local terms energy: -334.400606 where: bonds (distance) C4'-P energy: -61.202 bonds (distance) P-C4' energy: -67.649 flat angles C4'-P-C4' energy: -67.552 flat angles P-C4'-P energy: -47.497 tors. eta vs tors. theta energy: -90.501 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: 5, replica: 4 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -970.209828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.209828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.209828 (E_RNA) where: Base-Base interactions energy: -670.398 where: short stacking energy: -293.572 Base-Backbone interact. energy: -0.844 local terms energy: -298.967576 where: bonds (distance) C4'-P energy: -54.132 bonds (distance) P-C4' energy: -53.712 flat angles C4'-P-C4' energy: -67.731 flat angles P-C4'-P energy: -44.687 tors. eta vs tors. theta energy: -78.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -957.632387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.632387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.632387 (E_RNA) where: Base-Base interactions energy: -643.708 where: short stacking energy: -282.218 Base-Backbone interact. energy: -0.643 local terms energy: -313.281517 where: bonds (distance) C4'-P energy: -61.645 bonds (distance) P-C4' energy: -56.524 flat angles C4'-P-C4' energy: -71.377 flat angles P-C4'-P energy: -39.763 tors. eta vs tors. theta energy: -83.973 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: 432 Temperature: 1.200000 Total energy: -741.937619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.937619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.937619 (E_RNA) where: Base-Base interactions energy: -476.320 where: short stacking energy: -213.096 Base-Backbone interact. energy: -1.120 local terms energy: -264.497501 where: bonds (distance) C4'-P energy: -52.486 bonds (distance) P-C4' energy: -57.864 flat angles C4'-P-C4' energy: -65.739 flat angles P-C4'-P energy: -38.470 tors. eta vs tors. theta energy: -49.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -590.919594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.919594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.919594 (E_RNA) where: Base-Base interactions energy: -354.650 where: short stacking energy: -174.410 Base-Backbone interact. energy: -1.065 local terms energy: -235.204625 where: bonds (distance) C4'-P energy: -59.047 bonds (distance) P-C4' energy: -56.717 flat angles C4'-P-C4' energy: -46.606 flat angles P-C4'-P energy: -31.720 tors. eta vs tors. theta energy: -41.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -489.632681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.632681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.632681 (E_RNA) where: Base-Base interactions energy: -286.636 where: short stacking energy: -156.354 Base-Backbone interact. energy: 2.040 local terms energy: -205.036458 where: bonds (distance) C4'-P energy: -55.330 bonds (distance) P-C4' energy: -50.026 flat angles C4'-P-C4' energy: -50.273 flat angles P-C4'-P energy: -26.686 tors. eta vs tors. theta energy: -22.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -354.781359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.781359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.781359 (E_RNA) where: Base-Base interactions energy: -173.431 where: short stacking energy: -99.940 Base-Backbone interact. energy: -2.546 local terms energy: -178.803857 where: bonds (distance) C4'-P energy: -45.432 bonds (distance) P-C4' energy: -58.297 flat angles C4'-P-C4' energy: -37.630 flat angles P-C4'-P energy: -29.470 tors. eta vs tors. theta energy: -7.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1207.954181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.954181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.954181 (E_RNA) where: Base-Base interactions energy: -845.390 where: short stacking energy: -336.839 Base-Backbone interact. energy: -2.844 local terms energy: -359.720025 where: bonds (distance) C4'-P energy: -61.634 bonds (distance) P-C4' energy: -72.372 flat angles C4'-P-C4' energy: -74.423 flat angles P-C4'-P energy: -48.534 tors. eta vs tors. theta energy: -102.757 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: 433 Temperature: 0.950000 Total energy: -1109.229040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.229040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.229040 (E_RNA) where: Base-Base interactions energy: -777.741 where: short stacking energy: -329.898 Base-Backbone interact. energy: -0.821 local terms energy: -330.667245 where: bonds (distance) C4'-P energy: -64.711 bonds (distance) P-C4' energy: -53.141 flat angles C4'-P-C4' energy: -65.468 flat angles P-C4'-P energy: -54.317 tors. eta vs tors. theta energy: -93.030 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: 9 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1097.248135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.248135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.248135 (E_RNA) where: Base-Base interactions energy: -737.057 where: short stacking energy: -309.115 Base-Backbone interact. energy: -2.460 local terms energy: -357.731192 where: bonds (distance) C4'-P energy: -66.328 bonds (distance) P-C4' energy: -67.177 flat angles C4'-P-C4' energy: -74.286 flat angles P-C4'-P energy: -52.959 tors. eta vs tors. theta energy: -96.982 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: 1 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1069.897284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.897284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.897284 (E_RNA) where: Base-Base interactions energy: -750.022 where: short stacking energy: -315.966 Base-Backbone interact. energy: -2.399 local terms energy: -317.475889 where: bonds (distance) C4'-P energy: -59.339 bonds (distance) P-C4' energy: -69.003 flat angles C4'-P-C4' energy: -65.976 flat angles P-C4'-P energy: -39.069 tors. eta vs tors. theta energy: -84.090 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: 5, replica: 4 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -968.276376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.276376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.276376 (E_RNA) where: Base-Base interactions energy: -679.991 where: short stacking energy: -285.199 Base-Backbone interact. energy: -0.349 local terms energy: -287.937095 where: bonds (distance) C4'-P energy: -53.973 bonds (distance) P-C4' energy: -43.310 flat angles C4'-P-C4' energy: -63.618 flat angles P-C4'-P energy: -43.296 tors. eta vs tors. theta energy: -83.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -994.413767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.413767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.413767 (E_RNA) where: Base-Base interactions energy: -670.594 where: short stacking energy: -298.771 Base-Backbone interact. energy: -1.208 local terms energy: -322.611543 where: bonds (distance) C4'-P energy: -48.749 bonds (distance) P-C4' energy: -67.451 flat angles C4'-P-C4' energy: -70.003 flat angles P-C4'-P energy: -47.543 tors. eta vs tors. theta energy: -88.865 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: 7, replica: 6 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -718.092985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.092985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.092985 (E_RNA) where: Base-Base interactions energy: -495.032 where: short stacking energy: -196.694 Base-Backbone interact. energy: -1.625 local terms energy: -221.436302 where: bonds (distance) C4'-P energy: -50.807 bonds (distance) P-C4' energy: -47.277 flat angles C4'-P-C4' energy: -54.057 flat angles P-C4'-P energy: -38.562 tors. eta vs tors. theta energy: -30.733 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: 2 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -632.377039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.377039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.377039 (E_RNA) where: Base-Base interactions energy: -388.514 where: short stacking energy: -216.099 Base-Backbone interact. energy: -1.846 local terms energy: -242.016889 where: bonds (distance) C4'-P energy: -50.938 bonds (distance) P-C4' energy: -55.756 flat angles C4'-P-C4' energy: -54.566 flat angles P-C4'-P energy: -40.097 tors. eta vs tors. theta energy: -40.660 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: 5 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -484.128886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.128886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.128886 (E_RNA) where: Base-Base interactions energy: -276.197 where: short stacking energy: -135.309 Base-Backbone interact. energy: -1.445 local terms energy: -206.487600 where: bonds (distance) C4'-P energy: -46.909 bonds (distance) P-C4' energy: -56.267 flat angles C4'-P-C4' energy: -51.474 flat angles P-C4'-P energy: -41.234 tors. eta vs tors. theta energy: -10.604 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: 7 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -356.287519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.287519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.287519 (E_RNA) where: Base-Base interactions energy: -165.449 where: short stacking energy: -102.129 Base-Backbone interact. energy: 0.866 local terms energy: -191.704822 where: bonds (distance) C4'-P energy: -54.321 bonds (distance) P-C4' energy: -64.859 flat angles C4'-P-C4' energy: -56.887 flat angles P-C4'-P energy: -18.221 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: 8 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1170.077593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.077593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.077593 (E_RNA) where: Base-Base interactions energy: -810.231 where: short stacking energy: -341.374 Base-Backbone interact. energy: -1.015 local terms energy: -358.831193 where: bonds (distance) C4'-P energy: -61.073 bonds (distance) P-C4' energy: -67.220 flat angles C4'-P-C4' energy: -76.928 flat angles P-C4'-P energy: -55.809 tors. eta vs tors. theta energy: -97.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1116.000342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.000342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.000342 (E_RNA) where: Base-Base interactions energy: -776.831 where: short stacking energy: -315.244 Base-Backbone interact. energy: -0.032 local terms energy: -339.136984 where: bonds (distance) C4'-P energy: -59.776 bonds (distance) P-C4' energy: -68.801 flat angles C4'-P-C4' energy: -67.434 flat angles P-C4'-P energy: -51.525 tors. eta vs tors. theta energy: -91.601 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: 9 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1090.494613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.494613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.494613 (E_RNA) where: Base-Base interactions energy: -748.392 where: short stacking energy: -312.392 Base-Backbone interact. energy: -0.928 local terms energy: -341.174182 where: bonds (distance) C4'-P energy: -69.053 bonds (distance) P-C4' energy: -65.356 flat angles C4'-P-C4' energy: -75.459 flat angles P-C4'-P energy: -46.334 tors. eta vs tors. theta energy: -84.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1065.462555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.462555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.462555 (E_RNA) where: Base-Base interactions energy: -740.232 where: short stacking energy: -293.470 Base-Backbone interact. energy: -1.543 local terms energy: -323.687725 where: bonds (distance) C4'-P energy: -64.266 bonds (distance) P-C4' energy: -70.771 flat angles C4'-P-C4' energy: -56.595 flat angles P-C4'-P energy: -49.420 tors. eta vs tors. theta energy: -82.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -979.284760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.284760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.284760 (E_RNA) where: Base-Base interactions energy: -686.847 where: short stacking energy: -300.274 Base-Backbone interact. energy: -2.221 local terms energy: -290.216712 where: bonds (distance) C4'-P energy: -36.362 bonds (distance) P-C4' energy: -61.467 flat angles C4'-P-C4' energy: -67.410 flat angles P-C4'-P energy: -47.418 tors. eta vs tors. theta energy: -77.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -935.520949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.520949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.520949 (E_RNA) where: Base-Base interactions energy: -629.519 where: short stacking energy: -275.091 Base-Backbone interact. energy: -1.363 local terms energy: -304.639335 where: bonds (distance) C4'-P energy: -56.039 bonds (distance) P-C4' energy: -62.606 flat angles C4'-P-C4' energy: -68.290 flat angles P-C4'-P energy: -32.216 tors. eta vs tors. theta energy: -85.488 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: 434 Temperature: 1.200000 Total energy: -705.265437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.265437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.265437 (E_RNA) where: Base-Base interactions energy: -451.661 where: short stacking energy: -182.626 Base-Backbone interact. energy: -0.791 local terms energy: -252.813696 where: bonds (distance) C4'-P energy: -53.391 bonds (distance) P-C4' energy: -46.220 flat angles C4'-P-C4' energy: -77.918 flat angles P-C4'-P energy: -41.749 tors. eta vs tors. theta energy: -33.535 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: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -581.454520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.454520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.454520 (E_RNA) where: Base-Base interactions energy: -333.569 where: short stacking energy: -168.631 Base-Backbone interact. energy: -1.408 local terms energy: -246.477918 where: bonds (distance) C4'-P energy: -73.872 bonds (distance) P-C4' energy: -60.732 flat angles C4'-P-C4' energy: -52.509 flat angles P-C4'-P energy: -32.826 tors. eta vs tors. theta energy: -26.538 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: 5 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -450.442744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.442744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.442744 (E_RNA) where: Base-Base interactions energy: -259.486 where: short stacking energy: -130.562 Base-Backbone interact. energy: -0.114 local terms energy: -190.842601 where: bonds (distance) C4'-P energy: -53.829 bonds (distance) P-C4' energy: -49.266 flat angles C4'-P-C4' energy: -47.864 flat angles P-C4'-P energy: -26.175 tors. eta vs tors. theta energy: -13.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -274.225634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.225634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.225634 (E_RNA) where: Base-Base interactions energy: -100.269 where: short stacking energy: -86.411 Base-Backbone interact. energy: 1.339 local terms energy: -175.295344 where: bonds (distance) C4'-P energy: -58.092 bonds (distance) P-C4' energy: -42.722 flat angles C4'-P-C4' energy: -44.354 flat angles P-C4'-P energy: -40.547 tors. eta vs tors. theta energy: 10.419 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: 8 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1188.630925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.630925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.630925 (E_RNA) where: Base-Base interactions energy: -831.491 where: short stacking energy: -362.422 Base-Backbone interact. energy: -1.002 local terms energy: -356.137545 where: bonds (distance) C4'-P energy: -52.337 bonds (distance) P-C4' energy: -65.202 flat angles C4'-P-C4' energy: -79.033 flat angles P-C4'-P energy: -53.034 tors. eta vs tors. theta energy: -106.532 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: 10 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1122.536006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.536006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.536006 (E_RNA) where: Base-Base interactions energy: -788.542 where: short stacking energy: -331.015 Base-Backbone interact. energy: -2.364 local terms energy: -331.630096 where: bonds (distance) C4'-P energy: -57.009 bonds (distance) P-C4' energy: -63.056 flat angles C4'-P-C4' energy: -72.516 flat angles P-C4'-P energy: -44.212 tors. eta vs tors. theta energy: -94.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1099.027743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.027743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.027743 (E_RNA) where: Base-Base interactions energy: -756.005 where: short stacking energy: -337.888 Base-Backbone interact. energy: 0.370 local terms energy: -343.392508 where: bonds (distance) C4'-P energy: -61.502 bonds (distance) P-C4' energy: -67.621 flat angles C4'-P-C4' energy: -60.918 flat angles P-C4'-P energy: -50.796 tors. eta vs tors. theta energy: -102.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1057.818465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.818465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.818465 (E_RNA) where: Base-Base interactions energy: -742.886 where: short stacking energy: -322.189 Base-Backbone interact. energy: -1.590 local terms energy: -313.341864 where: bonds (distance) C4'-P energy: -58.794 bonds (distance) P-C4' energy: -55.989 flat angles C4'-P-C4' energy: -59.937 flat angles P-C4'-P energy: -45.523 tors. eta vs tors. theta energy: -93.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -988.571919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.571919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.571919 (E_RNA) where: Base-Base interactions energy: -683.588 where: short stacking energy: -286.391 Base-Backbone interact. energy: -2.158 local terms energy: -302.825666 where: bonds (distance) C4'-P energy: -53.541 bonds (distance) P-C4' energy: -45.899 flat angles C4'-P-C4' energy: -66.476 flat angles P-C4'-P energy: -53.028 tors. eta vs tors. theta energy: -83.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -904.546378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.546378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.546378 (E_RNA) where: Base-Base interactions energy: -603.110 where: short stacking energy: -285.704 Base-Backbone interact. energy: -1.249 local terms energy: -300.187952 where: bonds (distance) C4'-P energy: -58.995 bonds (distance) P-C4' energy: -55.488 flat angles C4'-P-C4' energy: -64.179 flat angles P-C4'-P energy: -42.773 tors. eta vs tors. theta energy: -78.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -742.404274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.404274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.404274 (E_RNA) where: Base-Base interactions energy: -488.310 where: short stacking energy: -221.344 Base-Backbone interact. energy: 1.159 local terms energy: -255.253188 where: bonds (distance) C4'-P energy: -43.946 bonds (distance) P-C4' energy: -52.473 flat angles C4'-P-C4' energy: -58.483 flat angles P-C4'-P energy: -44.652 tors. eta vs tors. theta energy: -55.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -612.014025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.014025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.014025 (E_RNA) where: Base-Base interactions energy: -355.343 where: short stacking energy: -189.535 Base-Backbone interact. energy: -0.785 local terms energy: -255.885405 where: bonds (distance) C4'-P energy: -55.694 bonds (distance) P-C4' energy: -67.047 flat angles C4'-P-C4' energy: -63.785 flat angles P-C4'-P energy: -29.623 tors. eta vs tors. theta energy: -39.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -472.773858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.773858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.773858 (E_RNA) where: Base-Base interactions energy: -269.599 where: short stacking energy: -135.069 Base-Backbone interact. energy: -2.576 local terms energy: -200.598386 where: bonds (distance) C4'-P energy: -50.981 bonds (distance) P-C4' energy: -59.454 flat angles C4'-P-C4' energy: -38.963 flat angles P-C4'-P energy: -33.368 tors. eta vs tors. theta energy: -17.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -302.047744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.047744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.047744 (E_RNA) where: Base-Base interactions energy: -107.400 where: short stacking energy: -93.219 Base-Backbone interact. energy: -1.625 local terms energy: -193.022874 where: bonds (distance) C4'-P energy: -64.025 bonds (distance) P-C4' energy: -48.565 flat angles C4'-P-C4' energy: -54.007 flat angles P-C4'-P energy: -29.860 tors. eta vs tors. theta energy: 3.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1182.455337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.455337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.455337 (E_RNA) where: Base-Base interactions energy: -818.065 where: short stacking energy: -336.801 Base-Backbone interact. energy: -2.320 local terms energy: -362.070825 where: bonds (distance) C4'-P energy: -67.828 bonds (distance) P-C4' energy: -63.750 flat angles C4'-P-C4' energy: -73.942 flat angles P-C4'-P energy: -50.064 tors. eta vs tors. theta energy: -106.486 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: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1098.297526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.297526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.297526 (E_RNA) where: Base-Base interactions energy: -756.004 where: short stacking energy: -330.123 Base-Backbone interact. energy: -0.489 local terms energy: -341.804739 where: bonds (distance) C4'-P energy: -71.349 bonds (distance) P-C4' energy: -64.445 flat angles C4'-P-C4' energy: -74.620 flat angles P-C4'-P energy: -37.331 tors. eta vs tors. theta energy: -94.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1117.736671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.736671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.736671 (E_RNA) where: Base-Base interactions energy: -779.505 where: short stacking energy: -335.217 Base-Backbone interact. energy: -0.397 local terms energy: -337.834307 where: bonds (distance) C4'-P energy: -60.416 bonds (distance) P-C4' energy: -63.202 flat angles C4'-P-C4' energy: -74.581 flat angles P-C4'-P energy: -46.070 tors. eta vs tors. theta energy: -93.565 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: 1 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1063.978063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.978063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.978063 (E_RNA) where: Base-Base interactions energy: -739.370 where: short stacking energy: -307.666 Base-Backbone interact. energy: -0.935 local terms energy: -323.673495 where: bonds (distance) C4'-P energy: -57.472 bonds (distance) P-C4' energy: -58.740 flat angles C4'-P-C4' energy: -73.340 flat angles P-C4'-P energy: -49.133 tors. eta vs tors. theta energy: -84.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -975.972320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.972320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.972320 (E_RNA) where: Base-Base interactions energy: -659.889 where: short stacking energy: -308.724 Base-Backbone interact. energy: -1.491 local terms energy: -314.592163 where: bonds (distance) C4'-P energy: -47.477 bonds (distance) P-C4' energy: -63.087 flat angles C4'-P-C4' energy: -71.141 flat angles P-C4'-P energy: -43.685 tors. eta vs tors. theta energy: -89.202 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: 6, replica: 4 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -937.701833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.701833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.701833 (E_RNA) where: Base-Base interactions energy: -625.468 where: short stacking energy: -253.975 Base-Backbone interact. energy: -1.435 local terms energy: -310.798574 where: bonds (distance) C4'-P energy: -58.808 bonds (distance) P-C4' energy: -69.998 flat angles C4'-P-C4' energy: -64.344 flat angles P-C4'-P energy: -46.771 tors. eta vs tors. theta energy: -70.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -817.424828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.424828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.424828 (E_RNA) where: Base-Base interactions energy: -539.582 where: short stacking energy: -250.452 Base-Backbone interact. energy: -2.831 local terms energy: -275.012219 where: bonds (distance) C4'-P energy: -50.262 bonds (distance) P-C4' energy: -63.824 flat angles C4'-P-C4' energy: -63.021 flat angles P-C4'-P energy: -30.428 tors. eta vs tors. theta energy: -67.477 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: 8, replica: 2 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -575.119242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.119242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.119242 (E_RNA) where: Base-Base interactions energy: -341.472 where: short stacking energy: -167.205 Base-Backbone interact. energy: -0.583 local terms energy: -233.063762 where: bonds (distance) C4'-P energy: -49.280 bonds (distance) P-C4' energy: -59.006 flat angles C4'-P-C4' energy: -62.779 flat angles P-C4'-P energy: -28.652 tors. eta vs tors. theta energy: -33.347 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: 5 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -477.611129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.611129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.611129 (E_RNA) where: Base-Base interactions energy: -249.245 where: short stacking energy: -120.369 Base-Backbone interact. energy: -3.959 local terms energy: -224.407364 where: bonds (distance) C4'-P energy: -52.299 bonds (distance) P-C4' energy: -61.854 flat angles C4'-P-C4' energy: -54.262 flat angles P-C4'-P energy: -44.121 tors. eta vs tors. theta energy: -11.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -266.253620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.253620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.253620 (E_RNA) where: Base-Base interactions energy: -113.277 where: short stacking energy: -65.735 Base-Backbone interact. energy: -0.906 local terms energy: -152.069952 where: bonds (distance) C4'-P energy: -45.529 bonds (distance) P-C4' energy: -48.069 flat angles C4'-P-C4' energy: -44.419 flat angles P-C4'-P energy: -33.600 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: 1, replica: 8 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1182.315344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.315344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.315344 (E_RNA) where: Base-Base interactions energy: -815.325 where: short stacking energy: -328.148 Base-Backbone interact. energy: -2.695 local terms energy: -364.295938 where: bonds (distance) C4'-P energy: -69.505 bonds (distance) P-C4' energy: -68.196 flat angles C4'-P-C4' energy: -76.435 flat angles P-C4'-P energy: -50.627 tors. eta vs tors. theta energy: -99.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1128.854012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.854012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.854012 (E_RNA) where: Base-Base interactions energy: -757.625 where: short stacking energy: -320.288 Base-Backbone interact. energy: 0.690 local terms energy: -371.918797 where: bonds (distance) C4'-P energy: -62.187 bonds (distance) P-C4' energy: -71.030 flat angles C4'-P-C4' energy: -76.162 flat angles P-C4'-P energy: -59.092 tors. eta vs tors. theta energy: -103.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1070.300751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.300751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.300751 (E_RNA) where: Base-Base interactions energy: -742.781 where: short stacking energy: -313.863 Base-Backbone interact. energy: -0.798 local terms energy: -326.721424 where: bonds (distance) C4'-P energy: -62.683 bonds (distance) P-C4' energy: -61.768 flat angles C4'-P-C4' energy: -73.975 flat angles P-C4'-P energy: -39.789 tors. eta vs tors. theta energy: -88.507 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: 1 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1066.346082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.346082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.346082 (E_RNA) where: Base-Base interactions energy: -751.622 where: short stacking energy: -289.296 Base-Backbone interact. energy: 0.906 local terms energy: -315.629511 where: bonds (distance) C4'-P energy: -56.018 bonds (distance) P-C4' energy: -66.746 flat angles C4'-P-C4' energy: -65.293 flat angles P-C4'-P energy: -44.424 tors. eta vs tors. theta energy: -83.148 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: 437 Temperature: 1.100000 Total energy: -996.162644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.162644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.162644 (E_RNA) where: Base-Base interactions energy: -677.800 where: short stacking energy: -312.032 Base-Backbone interact. energy: -1.516 local terms energy: -316.846974 where: bonds (distance) C4'-P energy: -57.394 bonds (distance) P-C4' energy: -58.548 flat angles C4'-P-C4' energy: -66.469 flat angles P-C4'-P energy: -42.635 tors. eta vs tors. theta energy: -91.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -899.664482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.664482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.664482 (E_RNA) where: Base-Base interactions energy: -612.181 where: short stacking energy: -243.755 Base-Backbone interact. energy: -4.927 local terms energy: -282.556392 where: bonds (distance) C4'-P energy: -63.184 bonds (distance) P-C4' energy: -42.470 flat angles C4'-P-C4' energy: -67.235 flat angles P-C4'-P energy: -46.501 tors. eta vs tors. theta energy: -63.166 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: 6 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -844.200614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.200614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.200614 (E_RNA) where: Base-Base interactions energy: -567.327 where: short stacking energy: -235.629 Base-Backbone interact. energy: -1.910 local terms energy: -274.963509 where: bonds (distance) C4'-P energy: -48.043 bonds (distance) P-C4' energy: -59.503 flat angles C4'-P-C4' energy: -60.038 flat angles P-C4'-P energy: -44.963 tors. eta vs tors. theta energy: -62.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -577.852664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.852664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.852664 (E_RNA) where: Base-Base interactions energy: -359.267 where: short stacking energy: -181.525 Base-Backbone interact. energy: -1.078 local terms energy: -217.508037 where: bonds (distance) C4'-P energy: -36.013 bonds (distance) P-C4' energy: -59.771 flat angles C4'-P-C4' energy: -50.192 flat angles P-C4'-P energy: -33.379 tors. eta vs tors. theta energy: -38.153 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: 5 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -458.707682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.707682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.707682 (E_RNA) where: Base-Base interactions energy: -249.755 where: short stacking energy: -138.630 Base-Backbone interact. energy: 0.795 local terms energy: -209.748464 where: bonds (distance) C4'-P energy: -49.540 bonds (distance) P-C4' energy: -56.784 flat angles C4'-P-C4' energy: -53.122 flat angles P-C4'-P energy: -35.015 tors. eta vs tors. theta energy: -15.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -287.349579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.349579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.349579 (E_RNA) where: Base-Base interactions energy: -103.418 where: short stacking energy: -101.663 Base-Backbone interact. energy: -1.161 local terms energy: -182.770340 where: bonds (distance) C4'-P energy: -43.629 bonds (distance) P-C4' energy: -69.908 flat angles C4'-P-C4' energy: -50.344 flat angles P-C4'-P energy: -20.564 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: 1, replica: 8 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1183.347242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.347242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.347242 (E_RNA) where: Base-Base interactions energy: -824.778 where: short stacking energy: -347.723 Base-Backbone interact. energy: 0.339 local terms energy: -358.908049 where: bonds (distance) C4'-P energy: -58.447 bonds (distance) P-C4' energy: -67.757 flat angles C4'-P-C4' energy: -75.358 flat angles P-C4'-P energy: -54.930 tors. eta vs tors. theta energy: -102.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1135.953585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.953585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.953585 (E_RNA) where: Base-Base interactions energy: -783.213 where: short stacking energy: -325.555 Base-Backbone interact. energy: -2.767 local terms energy: -349.973580 where: bonds (distance) C4'-P energy: -64.164 bonds (distance) P-C4' energy: -65.263 flat angles C4'-P-C4' energy: -74.868 flat angles P-C4'-P energy: -48.974 tors. eta vs tors. theta energy: -96.705 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: 1 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1095.417994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.417994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.417994 (E_RNA) where: Base-Base interactions energy: -774.056 where: short stacking energy: -315.459 Base-Backbone interact. energy: -0.738 local terms energy: -320.624465 where: bonds (distance) C4'-P energy: -55.305 bonds (distance) P-C4' energy: -63.406 flat angles C4'-P-C4' energy: -73.300 flat angles P-C4'-P energy: -36.382 tors. eta vs tors. theta energy: -92.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1062.702155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.702155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.702155 (E_RNA) where: Base-Base interactions energy: -753.966 where: short stacking energy: -321.766 Base-Backbone interact. energy: -1.235 local terms energy: -307.500801 where: bonds (distance) C4'-P energy: -59.448 bonds (distance) P-C4' energy: -54.410 flat angles C4'-P-C4' energy: -72.424 flat angles P-C4'-P energy: -30.546 tors. eta vs tors. theta energy: -90.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -991.602587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.602587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.602587 (E_RNA) where: Base-Base interactions energy: -675.133 where: short stacking energy: -310.588 Base-Backbone interact. energy: -1.340 local terms energy: -315.129505 where: bonds (distance) C4'-P energy: -62.748 bonds (distance) P-C4' energy: -63.257 flat angles C4'-P-C4' energy: -63.699 flat angles P-C4'-P energy: -34.483 tors. eta vs tors. theta energy: -90.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -925.739952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.739952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.739952 (E_RNA) where: Base-Base interactions energy: -642.690 where: short stacking energy: -258.314 Base-Backbone interact. energy: -0.169 local terms energy: -282.881202 where: bonds (distance) C4'-P energy: -63.093 bonds (distance) P-C4' energy: -53.923 flat angles C4'-P-C4' energy: -61.038 flat angles P-C4'-P energy: -31.672 tors. eta vs tors. theta energy: -73.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -856.853565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.853565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.853565 (E_RNA) where: Base-Base interactions energy: -582.558 where: short stacking energy: -245.124 Base-Backbone interact. energy: -1.406 local terms energy: -272.890157 where: bonds (distance) C4'-P energy: -56.615 bonds (distance) P-C4' energy: -44.681 flat angles C4'-P-C4' energy: -64.927 flat angles P-C4'-P energy: -45.700 tors. eta vs tors. theta energy: -60.967 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: 2 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -530.608666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.608666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.608666 (E_RNA) where: Base-Base interactions energy: -294.315 where: short stacking energy: -166.756 Base-Backbone interact. energy: -0.949 local terms energy: -235.345231 where: bonds (distance) C4'-P energy: -56.817 bonds (distance) P-C4' energy: -58.544 flat angles C4'-P-C4' energy: -62.169 flat angles P-C4'-P energy: -33.858 tors. eta vs tors. theta energy: -23.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -445.162809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.162809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.162809 (E_RNA) where: Base-Base interactions energy: -250.768 where: short stacking energy: -119.245 Base-Backbone interact. energy: 0.110 local terms energy: -194.505247 where: bonds (distance) C4'-P energy: -50.844 bonds (distance) P-C4' energy: -59.815 flat angles C4'-P-C4' energy: -52.042 flat angles P-C4'-P energy: -28.418 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: 7 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -352.591427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.591427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.591427 (E_RNA) where: Base-Base interactions energy: -176.387 where: short stacking energy: -122.946 Base-Backbone interact. energy: -1.298 local terms energy: -174.905578 where: bonds (distance) C4'-P energy: -57.872 bonds (distance) P-C4' energy: -50.469 flat angles C4'-P-C4' energy: -39.346 flat angles P-C4'-P energy: -25.668 tors. eta vs tors. theta energy: -1.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1184.266909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.266909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.266909 (E_RNA) where: Base-Base interactions energy: -837.491 where: short stacking energy: -346.792 Base-Backbone interact. energy: -1.778 local terms energy: -344.997263 where: bonds (distance) C4'-P energy: -57.211 bonds (distance) P-C4' energy: -65.759 flat angles C4'-P-C4' energy: -77.547 flat angles P-C4'-P energy: -45.765 tors. eta vs tors. theta energy: -98.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1131.069519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.069519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.069519 (E_RNA) where: Base-Base interactions energy: -790.463 where: short stacking energy: -324.038 Base-Backbone interact. energy: -0.399 local terms energy: -340.207073 where: bonds (distance) C4'-P energy: -62.945 bonds (distance) P-C4' energy: -65.887 flat angles C4'-P-C4' energy: -74.659 flat angles P-C4'-P energy: -51.054 tors. eta vs tors. theta energy: -85.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1111.374030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.374030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.374030 (E_RNA) where: Base-Base interactions energy: -775.869 where: short stacking energy: -326.407 Base-Backbone interact. energy: -1.166 local terms energy: -334.338655 where: bonds (distance) C4'-P energy: -58.683 bonds (distance) P-C4' energy: -61.976 flat angles C4'-P-C4' energy: -69.807 flat angles P-C4'-P energy: -47.764 tors. eta vs tors. theta energy: -96.109 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: 439 Temperature: 1.050000 Total energy: -1040.343114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.343114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.343114 (E_RNA) where: Base-Base interactions energy: -702.427 where: short stacking energy: -299.178 Base-Backbone interact. energy: -0.692 local terms energy: -337.224000 where: bonds (distance) C4'-P energy: -58.295 bonds (distance) P-C4' energy: -68.176 flat angles C4'-P-C4' energy: -69.873 flat angles P-C4'-P energy: -53.288 tors. eta vs tors. theta energy: -87.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1015.863810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.863810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.863810 (E_RNA) where: Base-Base interactions energy: -692.470 where: short stacking energy: -323.557 Base-Backbone interact. energy: 0.813 local terms energy: -324.206044 where: bonds (distance) C4'-P energy: -61.132 bonds (distance) P-C4' energy: -55.439 flat angles C4'-P-C4' energy: -65.617 flat angles P-C4'-P energy: -45.575 tors. eta vs tors. theta energy: -96.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -938.247122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.247122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.247122 (E_RNA) where: Base-Base interactions energy: -662.079 where: short stacking energy: -284.414 Base-Backbone interact. energy: -0.551 local terms energy: -275.617639 where: bonds (distance) C4'-P energy: -45.366 bonds (distance) P-C4' energy: -52.437 flat angles C4'-P-C4' energy: -63.310 flat angles P-C4'-P energy: -35.477 tors. eta vs tors. theta energy: -79.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -789.190636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.190636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.190636 (E_RNA) where: Base-Base interactions energy: -526.073 where: short stacking energy: -238.639 Base-Backbone interact. energy: 3.153 local terms energy: -266.271067 where: bonds (distance) C4'-P energy: -57.146 bonds (distance) P-C4' energy: -48.897 flat angles C4'-P-C4' energy: -59.980 flat angles P-C4'-P energy: -44.402 tors. eta vs tors. theta energy: -55.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -493.911380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.911380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.911380 (E_RNA) where: Base-Base interactions energy: -291.416 where: short stacking energy: -152.929 Base-Backbone interact. energy: 1.901 local terms energy: -204.396778 where: bonds (distance) C4'-P energy: -48.622 bonds (distance) P-C4' energy: -51.226 flat angles C4'-P-C4' energy: -54.789 flat angles P-C4'-P energy: -25.193 tors. eta vs tors. theta energy: -24.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -499.131644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.131644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.131644 (E_RNA) where: Base-Base interactions energy: -301.882 where: short stacking energy: -158.636 Base-Backbone interact. energy: -0.071 local terms energy: -197.178592 where: bonds (distance) C4'-P energy: -49.360 bonds (distance) P-C4' energy: -50.895 flat angles C4'-P-C4' energy: -50.012 flat angles P-C4'-P energy: -23.833 tors. eta vs tors. theta energy: -23.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -333.931571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.931571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.931571 (E_RNA) where: Base-Base interactions energy: -145.187 where: short stacking energy: -79.771 Base-Backbone interact. energy: 0.330 local terms energy: -189.074314 where: bonds (distance) C4'-P energy: -57.573 bonds (distance) P-C4' energy: -67.045 flat angles C4'-P-C4' energy: -43.666 flat angles P-C4'-P energy: -27.891 tors. eta vs tors. theta energy: 7.101 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: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1203.332726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.332726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.332726 (E_RNA) where: Base-Base interactions energy: -853.103 where: short stacking energy: -352.605 Base-Backbone interact. energy: -2.663 local terms energy: -347.567630 where: bonds (distance) C4'-P energy: -64.796 bonds (distance) P-C4' energy: -63.190 flat angles C4'-P-C4' energy: -72.145 flat angles P-C4'-P energy: -45.831 tors. eta vs tors. theta energy: -101.606 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: 9 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1140.320346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.320346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.320346 (E_RNA) where: Base-Base interactions energy: -794.394 where: short stacking energy: -334.542 Base-Backbone interact. energy: -2.073 local terms energy: -343.852448 where: bonds (distance) C4'-P energy: -60.000 bonds (distance) P-C4' energy: -58.328 flat angles C4'-P-C4' energy: -75.298 flat angles P-C4'-P energy: -53.392 tors. eta vs tors. theta energy: -96.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1087.792946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.792946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.792946 (E_RNA) where: Base-Base interactions energy: -747.631 where: short stacking energy: -298.334 Base-Backbone interact. energy: -1.823 local terms energy: -338.339369 where: bonds (distance) C4'-P energy: -65.279 bonds (distance) P-C4' energy: -70.556 flat angles C4'-P-C4' energy: -64.819 flat angles P-C4'-P energy: -48.789 tors. eta vs tors. theta energy: -88.897 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: 10 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1038.469212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.469212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.469212 (E_RNA) where: Base-Base interactions energy: -717.257 where: short stacking energy: -304.445 Base-Backbone interact. energy: -0.916 local terms energy: -320.296649 where: bonds (distance) C4'-P energy: -55.966 bonds (distance) P-C4' energy: -53.422 flat angles C4'-P-C4' energy: -71.611 flat angles P-C4'-P energy: -47.030 tors. eta vs tors. theta energy: -92.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -982.952009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.952009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.952009 (E_RNA) where: Base-Base interactions energy: -672.408 where: short stacking energy: -275.294 Base-Backbone interact. energy: 0.621 local terms energy: -311.165467 where: bonds (distance) C4'-P energy: -63.495 bonds (distance) P-C4' energy: -55.658 flat angles C4'-P-C4' energy: -68.439 flat angles P-C4'-P energy: -41.991 tors. eta vs tors. theta energy: -81.583 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: 6, replica: 4 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -953.075941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.075941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.075941 (E_RNA) where: Base-Base interactions energy: -655.640 where: short stacking energy: -268.641 Base-Backbone interact. energy: -0.279 local terms energy: -297.157732 where: bonds (distance) C4'-P energy: -51.938 bonds (distance) P-C4' energy: -69.604 flat angles C4'-P-C4' energy: -66.298 flat angles P-C4'-P energy: -35.568 tors. eta vs tors. theta energy: -73.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -814.312914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.312914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.312914 (E_RNA) where: Base-Base interactions energy: -559.777 where: short stacking energy: -222.809 Base-Backbone interact. energy: -0.805 local terms energy: -253.730771 where: bonds (distance) C4'-P energy: -54.811 bonds (distance) P-C4' energy: -60.326 flat angles C4'-P-C4' energy: -56.691 flat angles P-C4'-P energy: -28.591 tors. eta vs tors. theta energy: -53.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -524.201754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.201754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.201754 (E_RNA) where: Base-Base interactions energy: -293.136 where: short stacking energy: -142.944 Base-Backbone interact. energy: -1.374 local terms energy: -229.692149 where: bonds (distance) C4'-P energy: -59.203 bonds (distance) P-C4' energy: -60.759 flat angles C4'-P-C4' energy: -58.975 flat angles P-C4'-P energy: -33.935 tors. eta vs tors. theta energy: -16.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -471.343277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.343277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.343277 (E_RNA) where: Base-Base interactions energy: -284.928 where: short stacking energy: -143.182 Base-Backbone interact. energy: 0.904 local terms energy: -187.319927 where: bonds (distance) C4'-P energy: -44.817 bonds (distance) P-C4' energy: -46.801 flat angles C4'-P-C4' energy: -44.902 flat angles P-C4'-P energy: -31.202 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: 10, replica: 7 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -376.772336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.772336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.772336 (E_RNA) where: Base-Base interactions energy: -167.097 where: short stacking energy: -104.494 Base-Backbone interact. energy: -1.254 local terms energy: -208.421817 where: bonds (distance) C4'-P energy: -57.912 bonds (distance) P-C4' energy: -56.062 flat angles C4'-P-C4' energy: -46.424 flat angles P-C4'-P energy: -31.734 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: 1, replica: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1200.145426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.145426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.145426 (E_RNA) where: Base-Base interactions energy: -834.312 where: short stacking energy: -353.812 Base-Backbone interact. energy: -2.166 local terms energy: -363.667214 where: bonds (distance) C4'-P energy: -64.744 bonds (distance) P-C4' energy: -65.293 flat angles C4'-P-C4' energy: -74.005 flat angles P-C4'-P energy: -50.632 tors. eta vs tors. theta energy: -108.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1157.532840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.532840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.532840 (E_RNA) where: Base-Base interactions energy: -820.294 where: short stacking energy: -351.786 Base-Backbone interact. energy: -1.081 local terms energy: -336.157836 where: bonds (distance) C4'-P energy: -63.089 bonds (distance) P-C4' energy: -59.238 flat angles C4'-P-C4' energy: -72.152 flat angles P-C4'-P energy: -41.579 tors. eta vs tors. theta energy: -100.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1110.637592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.637592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.637592 (E_RNA) where: Base-Base interactions energy: -767.195 where: short stacking energy: -307.257 Base-Backbone interact. energy: -0.295 local terms energy: -343.147081 where: bonds (distance) C4'-P energy: -63.355 bonds (distance) P-C4' energy: -59.194 flat angles C4'-P-C4' energy: -78.617 flat angles P-C4'-P energy: -50.307 tors. eta vs tors. theta energy: -91.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1036.357635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.357635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.357635 (E_RNA) where: Base-Base interactions energy: -705.634 where: short stacking energy: -302.472 Base-Backbone interact. energy: -0.491 local terms energy: -330.232802 where: bonds (distance) C4'-P energy: -72.321 bonds (distance) P-C4' energy: -56.857 flat angles C4'-P-C4' energy: -68.257 flat angles P-C4'-P energy: -49.148 tors. eta vs tors. theta energy: -83.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -947.572451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.572451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.572451 (E_RNA) where: Base-Base interactions energy: -630.067 where: short stacking energy: -279.889 Base-Backbone interact. energy: -2.172 local terms energy: -315.333174 where: bonds (distance) C4'-P energy: -56.135 bonds (distance) P-C4' energy: -61.570 flat angles C4'-P-C4' energy: -67.717 flat angles P-C4'-P energy: -48.135 tors. eta vs tors. theta energy: -81.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -939.999244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.999244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.999244 (E_RNA) where: Base-Base interactions energy: -646.760 where: short stacking energy: -255.008 Base-Backbone interact. energy: 0.838 local terms energy: -294.077243 where: bonds (distance) C4'-P energy: -51.365 bonds (distance) P-C4' energy: -61.145 flat angles C4'-P-C4' energy: -63.469 flat angles P-C4'-P energy: -41.624 tors. eta vs tors. theta energy: -76.474 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: 7, replica: 6 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -831.309111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.309111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.309111 (E_RNA) where: Base-Base interactions energy: -562.793 where: short stacking energy: -227.520 Base-Backbone interact. energy: -1.132 local terms energy: -267.384087 where: bonds (distance) C4'-P energy: -58.186 bonds (distance) P-C4' energy: -48.738 flat angles C4'-P-C4' energy: -59.802 flat angles P-C4'-P energy: -45.074 tors. eta vs tors. theta energy: -55.584 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: 8, replica: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -518.487610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.487610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.487610 (E_RNA) where: Base-Base interactions energy: -305.714 where: short stacking energy: -158.736 Base-Backbone interact. energy: 0.536 local terms energy: -213.309497 where: bonds (distance) C4'-P energy: -40.253 bonds (distance) P-C4' energy: -53.870 flat angles C4'-P-C4' energy: -60.281 flat angles P-C4'-P energy: -26.104 tors. eta vs tors. theta energy: -32.802 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: 2 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -478.272652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.272652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.272652 (E_RNA) where: Base-Base interactions energy: -270.325 where: short stacking energy: -143.532 Base-Backbone interact. energy: 0.649 local terms energy: -208.596770 where: bonds (distance) C4'-P energy: -50.518 bonds (distance) P-C4' energy: -57.025 flat angles C4'-P-C4' energy: -50.654 flat angles P-C4'-P energy: -28.290 tors. eta vs tors. theta energy: -22.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -370.242434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.242434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.242434 (E_RNA) where: Base-Base interactions energy: -176.771 where: short stacking energy: -122.340 Base-Backbone interact. energy: -0.424 local terms energy: -193.047717 where: bonds (distance) C4'-P energy: -63.568 bonds (distance) P-C4' energy: -45.521 flat angles C4'-P-C4' energy: -53.000 flat angles P-C4'-P energy: -16.340 tors. eta vs tors. theta energy: -14.618 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: 9 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1156.839948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.839948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.839948 (E_RNA) where: Base-Base interactions energy: -812.730 where: short stacking energy: -341.625 Base-Backbone interact. energy: -0.965 local terms energy: -343.144794 where: bonds (distance) C4'-P energy: -58.314 bonds (distance) P-C4' energy: -64.780 flat angles C4'-P-C4' energy: -74.721 flat angles P-C4'-P energy: -48.988 tors. eta vs tors. theta energy: -96.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1177.794612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.794612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.794612 (E_RNA) where: Base-Base interactions energy: -823.959 where: short stacking energy: -365.880 Base-Backbone interact. energy: -1.757 local terms energy: -352.078093 where: bonds (distance) C4'-P energy: -62.088 bonds (distance) P-C4' energy: -71.328 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -39.569 tors. eta vs tors. theta energy: -104.936 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: 3, replica: 10 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1071.145560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.145560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.145560 (E_RNA) where: Base-Base interactions energy: -741.297 where: short stacking energy: -306.272 Base-Backbone interact. energy: -0.449 local terms energy: -329.400069 where: bonds (distance) C4'-P energy: -64.903 bonds (distance) P-C4' energy: -68.772 flat angles C4'-P-C4' energy: -65.435 flat angles P-C4'-P energy: -46.524 tors. eta vs tors. theta energy: -83.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1072.876110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.876110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.876110 (E_RNA) where: Base-Base interactions energy: -748.790 where: short stacking energy: -304.052 Base-Backbone interact. energy: -2.078 local terms energy: -322.007544 where: bonds (distance) C4'-P energy: -59.309 bonds (distance) P-C4' energy: -64.426 flat angles C4'-P-C4' energy: -74.483 flat angles P-C4'-P energy: -34.945 tors. eta vs tors. theta energy: -88.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -948.797786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.797786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.797786 (E_RNA) where: Base-Base interactions energy: -649.254 where: short stacking energy: -282.607 Base-Backbone interact. energy: -0.158 local terms energy: -299.386263 where: bonds (distance) C4'-P energy: -60.031 bonds (distance) P-C4' energy: -49.985 flat angles C4'-P-C4' energy: -67.677 flat angles P-C4'-P energy: -38.870 tors. eta vs tors. theta energy: -82.822 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: 4 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -941.157511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.157511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.157511 (E_RNA) where: Base-Base interactions energy: -652.114 where: short stacking energy: -270.775 Base-Backbone interact. energy: -1.098 local terms energy: -287.945799 where: bonds (distance) C4'-P energy: -59.693 bonds (distance) P-C4' energy: -59.694 flat angles C4'-P-C4' energy: -54.460 flat angles P-C4'-P energy: -42.615 tors. eta vs tors. theta energy: -71.483 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: 6 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -882.795014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.795014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.795014 (E_RNA) where: Base-Base interactions energy: -584.947 where: short stacking energy: -239.324 Base-Backbone interact. energy: -0.648 local terms energy: -297.200540 where: bonds (distance) C4'-P energy: -65.859 bonds (distance) P-C4' energy: -53.035 flat angles C4'-P-C4' energy: -64.845 flat angles P-C4'-P energy: -48.076 tors. eta vs tors. theta energy: -65.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -540.348233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.348233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.348233 (E_RNA) where: Base-Base interactions energy: -325.240 where: short stacking energy: -167.806 Base-Backbone interact. energy: -1.358 local terms energy: -213.750249 where: bonds (distance) C4'-P energy: -43.140 bonds (distance) P-C4' energy: -58.400 flat angles C4'-P-C4' energy: -55.848 flat angles P-C4'-P energy: -27.330 tors. eta vs tors. theta energy: -29.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -562.839904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.839904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.839904 (E_RNA) where: Base-Base interactions energy: -336.118 where: short stacking energy: -162.249 Base-Backbone interact. energy: -0.331 local terms energy: -226.391565 where: bonds (distance) C4'-P energy: -51.145 bonds (distance) P-C4' energy: -57.590 flat angles C4'-P-C4' energy: -53.543 flat angles P-C4'-P energy: -30.712 tors. eta vs tors. theta energy: -33.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -363.786960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.786960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.786960 (E_RNA) where: Base-Base interactions energy: -162.257 where: short stacking energy: -113.444 Base-Backbone interact. energy: -2.039 local terms energy: -199.490631 where: bonds (distance) C4'-P energy: -60.200 bonds (distance) P-C4' energy: -56.842 flat angles C4'-P-C4' energy: -50.956 flat angles P-C4'-P energy: -16.878 tors. eta vs tors. theta energy: -14.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1157.177913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.177913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.177913 (E_RNA) where: Base-Base interactions energy: -820.255 where: short stacking energy: -335.009 Base-Backbone interact. energy: -0.754 local terms energy: -336.169465 where: bonds (distance) C4'-P energy: -58.472 bonds (distance) P-C4' energy: -63.554 flat angles C4'-P-C4' energy: -75.577 flat angles P-C4'-P energy: -45.641 tors. eta vs tors. theta energy: -92.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1186.333389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.333389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.333389 (E_RNA) where: Base-Base interactions energy: -825.713 where: short stacking energy: -326.983 Base-Backbone interact. energy: -1.761 local terms energy: -358.859281 where: bonds (distance) C4'-P energy: -61.452 bonds (distance) P-C4' energy: -68.808 flat angles C4'-P-C4' energy: -71.769 flat angles P-C4'-P energy: -54.574 tors. eta vs tors. theta energy: -102.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1067.280478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.280478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.280478 (E_RNA) where: Base-Base interactions energy: -744.640 where: short stacking energy: -294.777 Base-Backbone interact. energy: -2.319 local terms energy: -320.321545 where: bonds (distance) C4'-P energy: -55.567 bonds (distance) P-C4' energy: -68.063 flat angles C4'-P-C4' energy: -66.419 flat angles P-C4'-P energy: -42.622 tors. eta vs tors. theta energy: -87.650 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: 3 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1045.485456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.485456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.485456 (E_RNA) where: Base-Base interactions energy: -714.427 where: short stacking energy: -331.028 Base-Backbone interact. energy: -1.923 local terms energy: -329.134687 where: bonds (distance) C4'-P energy: -59.779 bonds (distance) P-C4' energy: -68.110 flat angles C4'-P-C4' energy: -63.865 flat angles P-C4'-P energy: -39.799 tors. eta vs tors. theta energy: -97.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1036.749410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.749410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.749410 (E_RNA) where: Base-Base interactions energy: -717.644 where: short stacking energy: -298.761 Base-Backbone interact. energy: -0.115 local terms energy: -318.989889 where: bonds (distance) C4'-P energy: -56.792 bonds (distance) P-C4' energy: -64.305 flat angles C4'-P-C4' energy: -75.159 flat angles P-C4'-P energy: -43.752 tors. eta vs tors. theta energy: -78.982 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: 4 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -956.260634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.260634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.260634 (E_RNA) where: Base-Base interactions energy: -673.715 where: short stacking energy: -272.660 Base-Backbone interact. energy: 0.960 local terms energy: -283.506435 where: bonds (distance) C4'-P energy: -55.203 bonds (distance) P-C4' energy: -47.513 flat angles C4'-P-C4' energy: -69.223 flat angles P-C4'-P energy: -34.188 tors. eta vs tors. theta energy: -77.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -861.084943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.084943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.084943 (E_RNA) where: Base-Base interactions energy: -600.896 where: short stacking energy: -243.563 Base-Backbone interact. energy: -1.537 local terms energy: -258.652125 where: bonds (distance) C4'-P energy: -47.564 bonds (distance) P-C4' energy: -51.048 flat angles C4'-P-C4' energy: -60.224 flat angles P-C4'-P energy: -37.995 tors. eta vs tors. theta energy: -61.821 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: 2 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -632.128267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.128267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.128267 (E_RNA) where: Base-Base interactions energy: -402.799 where: short stacking energy: -190.064 Base-Backbone interact. energy: -1.489 local terms energy: -227.840553 where: bonds (distance) C4'-P energy: -52.190 bonds (distance) P-C4' energy: -52.303 flat angles C4'-P-C4' energy: -47.868 flat angles P-C4'-P energy: -38.952 tors. eta vs tors. theta energy: -36.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -501.292016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.292016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.292016 (E_RNA) where: Base-Base interactions energy: -306.707 where: short stacking energy: -162.441 Base-Backbone interact. energy: 1.081 local terms energy: -195.666407 where: bonds (distance) C4'-P energy: -58.243 bonds (distance) P-C4' energy: -51.241 flat angles C4'-P-C4' energy: -41.412 flat angles P-C4'-P energy: -25.570 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: 10, replica: 7 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -362.476216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.476216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.476216 (E_RNA) where: Base-Base interactions energy: -155.041 where: short stacking energy: -97.583 Base-Backbone interact. energy: 0.656 local terms energy: -208.092137 where: bonds (distance) C4'-P energy: -42.394 bonds (distance) P-C4' energy: -70.646 flat angles C4'-P-C4' energy: -49.887 flat angles P-C4'-P energy: -36.255 tors. eta vs tors. theta energy: -8.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1183.833487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.833487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.833487 (E_RNA) where: Base-Base interactions energy: -823.970 where: short stacking energy: -352.192 Base-Backbone interact. energy: -0.193 local terms energy: -359.670361 where: bonds (distance) C4'-P energy: -72.704 bonds (distance) P-C4' energy: -60.900 flat angles C4'-P-C4' energy: -73.444 flat angles P-C4'-P energy: -46.441 tors. eta vs tors. theta energy: -106.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1141.694537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.694537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.694537 (E_RNA) where: Base-Base interactions energy: -803.672 where: short stacking energy: -335.753 Base-Backbone interact. energy: -0.403 local terms energy: -337.619369 where: bonds (distance) C4'-P energy: -64.717 bonds (distance) P-C4' energy: -57.445 flat angles C4'-P-C4' energy: -69.352 flat angles P-C4'-P energy: -47.327 tors. eta vs tors. theta energy: -98.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1110.047449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.047449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.047449 (E_RNA) where: Base-Base interactions energy: -779.513 where: short stacking energy: -310.232 Base-Backbone interact. energy: -0.241 local terms energy: -330.293687 where: bonds (distance) C4'-P energy: -53.844 bonds (distance) P-C4' energy: -59.459 flat angles C4'-P-C4' energy: -77.551 flat angles P-C4'-P energy: -48.240 tors. eta vs tors. theta energy: -91.200 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: 444 Temperature: 1.050000 Total energy: -1072.593824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.593824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.593824 (E_RNA) where: Base-Base interactions energy: -715.997 where: short stacking energy: -331.272 Base-Backbone interact. energy: -0.118 local terms energy: -356.478184 where: bonds (distance) C4'-P energy: -64.803 bonds (distance) P-C4' energy: -65.834 flat angles C4'-P-C4' energy: -72.072 flat angles P-C4'-P energy: -57.441 tors. eta vs tors. theta energy: -96.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1063.173171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.173171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.173171 (E_RNA) where: Base-Base interactions energy: -753.774 where: short stacking energy: -310.542 Base-Backbone interact. energy: -0.615 local terms energy: -308.783461 where: bonds (distance) C4'-P energy: -59.805 bonds (distance) P-C4' energy: -56.728 flat angles C4'-P-C4' energy: -73.889 flat angles P-C4'-P energy: -35.741 tors. eta vs tors. theta energy: -82.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -957.547329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.547329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.547329 (E_RNA) where: Base-Base interactions energy: -635.827 where: short stacking energy: -285.260 Base-Backbone interact. energy: -1.672 local terms energy: -320.048620 where: bonds (distance) C4'-P energy: -60.678 bonds (distance) P-C4' energy: -67.595 flat angles C4'-P-C4' energy: -66.990 flat angles P-C4'-P energy: -47.386 tors. eta vs tors. theta energy: -77.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -816.333833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.333833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.333833 (E_RNA) where: Base-Base interactions energy: -543.733 where: short stacking energy: -235.454 Base-Backbone interact. energy: 0.159 local terms energy: -272.759305 where: bonds (distance) C4'-P energy: -55.112 bonds (distance) P-C4' energy: -57.197 flat angles C4'-P-C4' energy: -59.739 flat angles P-C4'-P energy: -37.713 tors. eta vs tors. theta energy: -62.999 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: 2 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -626.737066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.737066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.737066 (E_RNA) where: Base-Base interactions energy: -403.715 where: short stacking energy: -178.616 Base-Backbone interact. energy: 1.416 local terms energy: -224.437193 where: bonds (distance) C4'-P energy: -66.045 bonds (distance) P-C4' energy: -40.713 flat angles C4'-P-C4' energy: -48.937 flat angles P-C4'-P energy: -31.318 tors. eta vs tors. theta energy: -37.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -491.170574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.170574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.170574 (E_RNA) where: Base-Base interactions energy: -277.948 where: short stacking energy: -133.018 Base-Backbone interact. energy: -1.365 local terms energy: -211.856938 where: bonds (distance) C4'-P energy: -59.901 bonds (distance) P-C4' energy: -55.865 flat angles C4'-P-C4' energy: -53.361 flat angles P-C4'-P energy: -31.839 tors. eta vs tors. theta energy: -10.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -373.365339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.365339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.365339 (E_RNA) where: Base-Base interactions energy: -194.707 where: short stacking energy: -104.267 Base-Backbone interact. energy: -0.798 local terms energy: -177.860459 where: bonds (distance) C4'-P energy: -45.144 bonds (distance) P-C4' energy: -43.409 flat angles C4'-P-C4' energy: -49.356 flat angles P-C4'-P energy: -33.819 tors. eta vs tors. theta energy: -6.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1190.871699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.871699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.871699 (E_RNA) where: Base-Base interactions energy: -810.864 where: short stacking energy: -339.314 Base-Backbone interact. energy: -0.265 local terms energy: -379.743053 where: bonds (distance) C4'-P energy: -67.642 bonds (distance) P-C4' energy: -74.779 flat angles C4'-P-C4' energy: -79.054 flat angles P-C4'-P energy: -56.397 tors. eta vs tors. theta energy: -101.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1119.407881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.407881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.407881 (E_RNA) where: Base-Base interactions energy: -778.873 where: short stacking energy: -317.077 Base-Backbone interact. energy: -1.318 local terms energy: -339.216065 where: bonds (distance) C4'-P energy: -62.591 bonds (distance) P-C4' energy: -71.168 flat angles C4'-P-C4' energy: -63.279 flat angles P-C4'-P energy: -50.909 tors. eta vs tors. theta energy: -91.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1110.902880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.902880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.902880 (E_RNA) where: Base-Base interactions energy: -785.768 where: short stacking energy: -328.739 Base-Backbone interact. energy: -1.560 local terms energy: -323.575473 where: bonds (distance) C4'-P energy: -59.840 bonds (distance) P-C4' energy: -44.228 flat angles C4'-P-C4' energy: -69.066 flat angles P-C4'-P energy: -50.909 tors. eta vs tors. theta energy: -99.532 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: 3 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1059.836893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.836893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.836893 (E_RNA) where: Base-Base interactions energy: -708.237 where: short stacking energy: -331.900 Base-Backbone interact. energy: -1.862 local terms energy: -349.737679 where: bonds (distance) C4'-P energy: -61.806 bonds (distance) P-C4' energy: -55.842 flat angles C4'-P-C4' energy: -70.993 flat angles P-C4'-P energy: -54.656 tors. eta vs tors. theta energy: -106.441 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: 1 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1043.505972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.505972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.505972 (E_RNA) where: Base-Base interactions energy: -741.351 where: short stacking energy: -288.353 Base-Backbone interact. energy: -2.269 local terms energy: -299.885173 where: bonds (distance) C4'-P energy: -58.433 bonds (distance) P-C4' energy: -60.817 flat angles C4'-P-C4' energy: -63.400 flat angles P-C4'-P energy: -39.006 tors. eta vs tors. theta energy: -78.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -955.474861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.474861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.474861 (E_RNA) where: Base-Base interactions energy: -655.360 where: short stacking energy: -289.047 Base-Backbone interact. energy: -1.180 local terms energy: -298.935288 where: bonds (distance) C4'-P energy: -53.696 bonds (distance) P-C4' energy: -55.527 flat angles C4'-P-C4' energy: -66.218 flat angles P-C4'-P energy: -41.766 tors. eta vs tors. theta energy: -81.727 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: 445 Temperature: 1.200000 Total energy: -825.273121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.273121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.273121 (E_RNA) where: Base-Base interactions energy: -546.695 where: short stacking energy: -250.064 Base-Backbone interact. energy: -2.815 local terms energy: -275.762831 where: bonds (distance) C4'-P energy: -49.651 bonds (distance) P-C4' energy: -56.135 flat angles C4'-P-C4' energy: -66.782 flat angles P-C4'-P energy: -33.945 tors. eta vs tors. theta energy: -69.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -645.152684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.152684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.152684 (E_RNA) where: Base-Base interactions energy: -392.796 where: short stacking energy: -186.429 Base-Backbone interact. energy: 0.021 local terms energy: -252.378151 where: bonds (distance) C4'-P energy: -68.361 bonds (distance) P-C4' energy: -63.713 flat angles C4'-P-C4' energy: -49.773 flat angles P-C4'-P energy: -37.892 tors. eta vs tors. theta energy: -32.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -488.591223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.591223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.591223 (E_RNA) where: Base-Base interactions energy: -265.428 where: short stacking energy: -142.083 Base-Backbone interact. energy: 1.251 local terms energy: -224.413821 where: bonds (distance) C4'-P energy: -66.005 bonds (distance) P-C4' energy: -52.684 flat angles C4'-P-C4' energy: -55.628 flat angles P-C4'-P energy: -35.945 tors. eta vs tors. theta energy: -14.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -369.513435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.513435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.513435 (E_RNA) where: Base-Base interactions energy: -183.050 where: short stacking energy: -123.214 Base-Backbone interact. energy: -1.842 local terms energy: -184.621655 where: bonds (distance) C4'-P energy: -53.508 bonds (distance) P-C4' energy: -54.321 flat angles C4'-P-C4' energy: -46.269 flat angles P-C4'-P energy: -31.511 tors. eta vs tors. theta energy: 0.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1176.237964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.237964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.237964 (E_RNA) where: Base-Base interactions energy: -828.873 where: short stacking energy: -352.698 Base-Backbone interact. energy: 0.274 local terms energy: -347.638919 where: bonds (distance) C4'-P energy: -54.497 bonds (distance) P-C4' energy: -66.060 flat angles C4'-P-C4' energy: -74.227 flat angles P-C4'-P energy: -46.117 tors. eta vs tors. theta energy: -106.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1091.479970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.479970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.479970 (E_RNA) where: Base-Base interactions energy: -770.097 where: short stacking energy: -314.061 Base-Backbone interact. energy: -1.111 local terms energy: -320.272361 where: bonds (distance) C4'-P energy: -53.108 bonds (distance) P-C4' energy: -69.951 flat angles C4'-P-C4' energy: -74.670 flat angles P-C4'-P energy: -38.732 tors. eta vs tors. theta energy: -83.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1082.454176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.454176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.454176 (E_RNA) where: Base-Base interactions energy: -729.134 where: short stacking energy: -330.949 Base-Backbone interact. energy: -2.020 local terms energy: -351.299954 where: bonds (distance) C4'-P energy: -60.631 bonds (distance) P-C4' energy: -64.322 flat angles C4'-P-C4' energy: -74.403 flat angles P-C4'-P energy: -52.369 tors. eta vs tors. theta energy: -99.574 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: 446 Temperature: 1.050000 Total energy: -1080.489266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.489266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.489266 (E_RNA) where: Base-Base interactions energy: -746.779 where: short stacking energy: -317.630 Base-Backbone interact. energy: -0.426 local terms energy: -333.283663 where: bonds (distance) C4'-P energy: -57.658 bonds (distance) P-C4' energy: -62.946 flat angles C4'-P-C4' energy: -68.085 flat angles P-C4'-P energy: -50.231 tors. eta vs tors. theta energy: -94.363 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: 446 Temperature: 1.100000 Total energy: -1004.787373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.787373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.787373 (E_RNA) where: Base-Base interactions energy: -705.093 where: short stacking energy: -299.750 Base-Backbone interact. energy: -1.240 local terms energy: -298.453500 where: bonds (distance) C4'-P energy: -55.366 bonds (distance) P-C4' energy: -57.124 flat angles C4'-P-C4' energy: -63.694 flat angles P-C4'-P energy: -37.194 tors. eta vs tors. theta energy: -85.075 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: 6, replica: 4 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -947.826908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.826908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.826908 (E_RNA) where: Base-Base interactions energy: -646.563 where: short stacking energy: -263.103 Base-Backbone interact. energy: -0.352 local terms energy: -300.911832 where: bonds (distance) C4'-P energy: -61.405 bonds (distance) P-C4' energy: -55.012 flat angles C4'-P-C4' energy: -63.718 flat angles P-C4'-P energy: -36.410 tors. eta vs tors. theta energy: -84.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -817.713745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.713745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.713745 (E_RNA) where: Base-Base interactions energy: -531.095 where: short stacking energy: -242.587 Base-Backbone interact. energy: 0.497 local terms energy: -287.116472 where: bonds (distance) C4'-P energy: -51.075 bonds (distance) P-C4' energy: -62.502 flat angles C4'-P-C4' energy: -65.227 flat angles P-C4'-P energy: -47.725 tors. eta vs tors. theta energy: -60.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -650.294760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.294760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.294760 (E_RNA) where: Base-Base interactions energy: -401.203 where: short stacking energy: -190.052 Base-Backbone interact. energy: -1.519 local terms energy: -247.573210 where: bonds (distance) C4'-P energy: -42.623 bonds (distance) P-C4' energy: -58.794 flat angles C4'-P-C4' energy: -63.752 flat angles P-C4'-P energy: -34.164 tors. eta vs tors. theta energy: -48.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -554.585915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.585915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.585915 (E_RNA) where: Base-Base interactions energy: -327.905 where: short stacking energy: -153.639 Base-Backbone interact. energy: -0.035 local terms energy: -226.645659 where: bonds (distance) C4'-P energy: -52.198 bonds (distance) P-C4' energy: -54.578 flat angles C4'-P-C4' energy: -58.593 flat angles P-C4'-P energy: -26.950 tors. eta vs tors. theta energy: -34.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -342.428838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.428838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.428838 (E_RNA) where: Base-Base interactions energy: -159.684 where: short stacking energy: -98.049 Base-Backbone interact. energy: -0.923 local terms energy: -181.821858 where: bonds (distance) C4'-P energy: -52.842 bonds (distance) P-C4' energy: -49.124 flat angles C4'-P-C4' energy: -46.779 flat angles P-C4'-P energy: -25.481 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: 1, replica: 8 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1194.896613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.896613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.896613 (E_RNA) where: Base-Base interactions energy: -846.280 where: short stacking energy: -337.466 Base-Backbone interact. energy: -0.790 local terms energy: -347.826022 where: bonds (distance) C4'-P energy: -59.544 bonds (distance) P-C4' energy: -70.617 flat angles C4'-P-C4' energy: -72.404 flat angles P-C4'-P energy: -45.993 tors. eta vs tors. theta energy: -99.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1113.093970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.093970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.093970 (E_RNA) where: Base-Base interactions energy: -762.259 where: short stacking energy: -316.533 Base-Backbone interact. energy: -0.337 local terms energy: -350.498478 where: bonds (distance) C4'-P energy: -64.498 bonds (distance) P-C4' energy: -75.824 flat angles C4'-P-C4' energy: -69.773 flat angles P-C4'-P energy: -52.207 tors. eta vs tors. theta energy: -88.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1078.875265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.875265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.875265 (E_RNA) where: Base-Base interactions energy: -721.254 where: short stacking energy: -333.705 Base-Backbone interact. energy: -1.118 local terms energy: -356.503716 where: bonds (distance) C4'-P energy: -60.696 bonds (distance) P-C4' energy: -64.230 flat angles C4'-P-C4' energy: -69.614 flat angles P-C4'-P energy: -57.611 tors. eta vs tors. theta energy: -104.352 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: 9 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1092.061547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.061547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.061547 (E_RNA) where: Base-Base interactions energy: -749.538 where: short stacking energy: -314.844 Base-Backbone interact. energy: 0.240 local terms energy: -342.763050 where: bonds (distance) C4'-P energy: -54.786 bonds (distance) P-C4' energy: -60.671 flat angles C4'-P-C4' energy: -79.510 flat angles P-C4'-P energy: -48.318 tors. eta vs tors. theta energy: -99.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1045.561826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.561826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.561826 (E_RNA) where: Base-Base interactions energy: -713.840 where: short stacking energy: -287.158 Base-Backbone interact. energy: -0.185 local terms energy: -331.536432 where: bonds (distance) C4'-P energy: -61.686 bonds (distance) P-C4' energy: -70.089 flat angles C4'-P-C4' energy: -69.660 flat angles P-C4'-P energy: -44.588 tors. eta vs tors. theta energy: -85.514 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: 4 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -929.939854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.939854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.939854 (E_RNA) where: Base-Base interactions energy: -636.762 where: short stacking energy: -267.242 Base-Backbone interact. energy: 0.783 local terms energy: -293.961062 where: bonds (distance) C4'-P energy: -62.120 bonds (distance) P-C4' energy: -61.259 flat angles C4'-P-C4' energy: -60.123 flat angles P-C4'-P energy: -35.954 tors. eta vs tors. theta energy: -74.505 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: 7, replica: 6 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -834.425089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.425089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.425089 (E_RNA) where: Base-Base interactions energy: -573.231 where: short stacking energy: -250.052 Base-Backbone interact. energy: -0.579 local terms energy: -260.614977 where: bonds (distance) C4'-P energy: -41.437 bonds (distance) P-C4' energy: -54.148 flat angles C4'-P-C4' energy: -68.446 flat angles P-C4'-P energy: -35.739 tors. eta vs tors. theta energy: -60.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -642.312838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.312838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.312838 (E_RNA) where: Base-Base interactions energy: -413.751 where: short stacking energy: -201.088 Base-Backbone interact. energy: 0.745 local terms energy: -229.306771 where: bonds (distance) C4'-P energy: -53.691 bonds (distance) P-C4' energy: -44.793 flat angles C4'-P-C4' energy: -61.961 flat angles P-C4'-P energy: -38.098 tors. eta vs tors. theta energy: -30.764 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: 5 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -583.785978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.785978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.785978 (E_RNA) where: Base-Base interactions energy: -357.597 where: short stacking energy: -165.488 Base-Backbone interact. energy: -0.873 local terms energy: -225.316636 where: bonds (distance) C4'-P energy: -56.050 bonds (distance) P-C4' energy: -62.179 flat angles C4'-P-C4' energy: -48.174 flat angles P-C4'-P energy: -26.115 tors. eta vs tors. theta energy: -32.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -341.381095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.381095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.381095 (E_RNA) where: Base-Base interactions energy: -165.202 where: short stacking energy: -93.329 Base-Backbone interact. energy: -1.480 local terms energy: -174.699116 where: bonds (distance) C4'-P energy: -31.945 bonds (distance) P-C4' energy: -54.016 flat angles C4'-P-C4' energy: -54.322 flat angles P-C4'-P energy: -33.089 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1196.610750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.610750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.610750 (E_RNA) where: Base-Base interactions energy: -830.196 where: short stacking energy: -354.125 Base-Backbone interact. energy: -1.811 local terms energy: -364.603882 where: bonds (distance) C4'-P energy: -70.767 bonds (distance) P-C4' energy: -66.092 flat angles C4'-P-C4' energy: -75.702 flat angles P-C4'-P energy: -44.875 tors. eta vs tors. theta energy: -107.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1090.236890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.236890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.236890 (E_RNA) where: Base-Base interactions energy: -763.292 where: short stacking energy: -317.983 Base-Backbone interact. energy: -2.240 local terms energy: -324.705114 where: bonds (distance) C4'-P energy: -58.886 bonds (distance) P-C4' energy: -62.167 flat angles C4'-P-C4' energy: -72.077 flat angles P-C4'-P energy: -51.782 tors. eta vs tors. theta energy: -79.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1120.272163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.272163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.272163 (E_RNA) where: Base-Base interactions energy: -777.878 where: short stacking energy: -324.743 Base-Backbone interact. energy: -1.712 local terms energy: -340.681979 where: bonds (distance) C4'-P energy: -66.269 bonds (distance) P-C4' energy: -58.625 flat angles C4'-P-C4' energy: -78.048 flat angles P-C4'-P energy: -44.239 tors. eta vs tors. theta energy: -93.502 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: 4, replica: 3 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1030.480877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.480877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.480877 (E_RNA) where: Base-Base interactions energy: -704.528 where: short stacking energy: -318.975 Base-Backbone interact. energy: -1.745 local terms energy: -324.207313 where: bonds (distance) C4'-P energy: -62.488 bonds (distance) P-C4' energy: -56.953 flat angles C4'-P-C4' energy: -56.222 flat angles P-C4'-P energy: -43.228 tors. eta vs tors. theta energy: -105.316 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: 5, replica: 1 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1034.312417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.312417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.312417 (E_RNA) where: Base-Base interactions energy: -728.042 where: short stacking energy: -307.000 Base-Backbone interact. energy: -1.959 local terms energy: -304.312018 where: bonds (distance) C4'-P energy: -51.439 bonds (distance) P-C4' energy: -61.597 flat angles C4'-P-C4' energy: -66.991 flat angles P-C4'-P energy: -44.432 tors. eta vs tors. theta energy: -79.854 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: 4 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -933.968985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.968985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.968985 (E_RNA) where: Base-Base interactions energy: -645.773 where: short stacking energy: -278.907 Base-Backbone interact. energy: -1.490 local terms energy: -286.706116 where: bonds (distance) C4'-P energy: -55.338 bonds (distance) P-C4' energy: -48.831 flat angles C4'-P-C4' energy: -68.465 flat angles P-C4'-P energy: -40.128 tors. eta vs tors. theta energy: -73.944 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: 6 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -867.523975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.523975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.523975 (E_RNA) where: Base-Base interactions energy: -579.128 where: short stacking energy: -243.758 Base-Backbone interact. energy: -1.918 local terms energy: -286.478055 where: bonds (distance) C4'-P energy: -51.328 bonds (distance) P-C4' energy: -60.443 flat angles C4'-P-C4' energy: -64.437 flat angles P-C4'-P energy: -47.773 tors. eta vs tors. theta energy: -62.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -678.226718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.226718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.226718 (E_RNA) where: Base-Base interactions energy: -421.739 where: short stacking energy: -187.411 Base-Backbone interact. energy: -0.800 local terms energy: -255.688126 where: bonds (distance) C4'-P energy: -52.303 bonds (distance) P-C4' energy: -63.314 flat angles C4'-P-C4' energy: -51.155 flat angles P-C4'-P energy: -48.804 tors. eta vs tors. theta energy: -40.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -587.809903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.809903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.809903 (E_RNA) where: Base-Base interactions energy: -348.078 where: short stacking energy: -167.086 Base-Backbone interact. energy: -0.894 local terms energy: -238.837883 where: bonds (distance) C4'-P energy: -43.201 bonds (distance) P-C4' energy: -63.979 flat angles C4'-P-C4' energy: -51.995 flat angles P-C4'-P energy: -43.518 tors. eta vs tors. theta energy: -36.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -360.475047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.475047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.475047 (E_RNA) where: Base-Base interactions energy: -194.956 where: short stacking energy: -130.803 Base-Backbone interact. energy: -1.248 local terms energy: -164.270981 where: bonds (distance) C4'-P energy: -51.113 bonds (distance) P-C4' energy: -55.614 flat angles C4'-P-C4' energy: -39.087 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: -11.246 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: 8 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1193.239879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.239879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.239879 (E_RNA) where: Base-Base interactions energy: -836.324 where: short stacking energy: -348.734 Base-Backbone interact. energy: -1.823 local terms energy: -355.092474 where: bonds (distance) C4'-P energy: -60.414 bonds (distance) P-C4' energy: -65.287 flat angles C4'-P-C4' energy: -74.720 flat angles P-C4'-P energy: -53.976 tors. eta vs tors. theta energy: -100.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1125.207485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.207485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.207485 (E_RNA) where: Base-Base interactions energy: -774.308 where: short stacking energy: -324.578 Base-Backbone interact. energy: -1.174 local terms energy: -349.725397 where: bonds (distance) C4'-P energy: -62.770 bonds (distance) P-C4' energy: -69.046 flat angles C4'-P-C4' energy: -72.521 flat angles P-C4'-P energy: -51.749 tors. eta vs tors. theta energy: -93.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1069.943097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.943097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.943097 (E_RNA) where: Base-Base interactions energy: -731.457 where: short stacking energy: -311.662 Base-Backbone interact. energy: 0.983 local terms energy: -339.469223 where: bonds (distance) C4'-P energy: -65.650 bonds (distance) P-C4' energy: -61.321 flat angles C4'-P-C4' energy: -70.962 flat angles P-C4'-P energy: -52.655 tors. eta vs tors. theta energy: -88.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1041.077584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.077584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.077584 (E_RNA) where: Base-Base interactions energy: -728.775 where: short stacking energy: -297.989 Base-Backbone interact. energy: -0.665 local terms energy: -311.637429 where: bonds (distance) C4'-P energy: -61.442 bonds (distance) P-C4' energy: -63.017 flat angles C4'-P-C4' energy: -60.206 flat angles P-C4'-P energy: -46.193 tors. eta vs tors. theta energy: -80.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -986.206066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.206066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.206066 (E_RNA) where: Base-Base interactions energy: -652.065 where: short stacking energy: -300.535 Base-Backbone interact. energy: 2.967 local terms energy: -337.108292 where: bonds (distance) C4'-P energy: -60.298 bonds (distance) P-C4' energy: -55.589 flat angles C4'-P-C4' energy: -74.529 flat angles P-C4'-P energy: -52.315 tors. eta vs tors. theta energy: -94.377 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: 4 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -942.719338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.719338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.719338 (E_RNA) where: Base-Base interactions energy: -632.960 where: short stacking energy: -264.187 Base-Backbone interact. energy: -0.587 local terms energy: -309.173095 where: bonds (distance) C4'-P energy: -58.011 bonds (distance) P-C4' energy: -65.734 flat angles C4'-P-C4' energy: -66.581 flat angles P-C4'-P energy: -46.915 tors. eta vs tors. theta energy: -71.932 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: 6 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -881.002625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.002625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.002625 (E_RNA) where: Base-Base interactions energy: -602.654 where: short stacking energy: -225.855 Base-Backbone interact. energy: -1.408 local terms energy: -276.940630 where: bonds (distance) C4'-P energy: -59.114 bonds (distance) P-C4' energy: -53.348 flat angles C4'-P-C4' energy: -61.354 flat angles P-C4'-P energy: -40.882 tors. eta vs tors. theta energy: -62.242 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: 2 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -690.399524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.399524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.399524 (E_RNA) where: Base-Base interactions energy: -433.212 where: short stacking energy: -193.986 Base-Backbone interact. energy: -0.131 local terms energy: -257.056477 where: bonds (distance) C4'-P energy: -58.605 bonds (distance) P-C4' energy: -49.604 flat angles C4'-P-C4' energy: -65.511 flat angles P-C4'-P energy: -38.969 tors. eta vs tors. theta energy: -44.368 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: 9, replica: 5 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -578.269316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.269316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.269316 (E_RNA) where: Base-Base interactions energy: -361.387 where: short stacking energy: -170.151 Base-Backbone interact. energy: 1.503 local terms energy: -218.385763 where: bonds (distance) C4'-P energy: -54.314 bonds (distance) P-C4' energy: -57.415 flat angles C4'-P-C4' energy: -57.465 flat angles P-C4'-P energy: -22.398 tors. eta vs tors. theta energy: -26.794 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: 7 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -350.394626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.394626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.394626 (E_RNA) where: Base-Base interactions energy: -163.608 where: short stacking energy: -107.409 Base-Backbone interact. energy: 2.761 local terms energy: -189.547200 where: bonds (distance) C4'-P energy: -51.112 bonds (distance) P-C4' energy: -50.699 flat angles C4'-P-C4' energy: -51.161 flat angles P-C4'-P energy: -25.420 tors. eta vs tors. theta energy: -11.155 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: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1189.301572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.301572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.301572 (E_RNA) where: Base-Base interactions energy: -828.269 where: short stacking energy: -339.339 Base-Backbone interact. energy: -2.446 local terms energy: -358.586942 where: bonds (distance) C4'-P energy: -64.945 bonds (distance) P-C4' energy: -61.894 flat angles C4'-P-C4' energy: -75.270 flat angles P-C4'-P energy: -54.083 tors. eta vs tors. theta energy: -102.396 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: 9 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1106.483454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.483454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.483454 (E_RNA) where: Base-Base interactions energy: -759.688 where: short stacking energy: -309.225 Base-Backbone interact. energy: -1.500 local terms energy: -345.295020 where: bonds (distance) C4'-P energy: -61.422 bonds (distance) P-C4' energy: -69.619 flat angles C4'-P-C4' energy: -75.226 flat angles P-C4'-P energy: -51.046 tors. eta vs tors. theta energy: -87.982 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: 10 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1066.256522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.256522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.256522 (E_RNA) where: Base-Base interactions energy: -739.103 where: short stacking energy: -309.551 Base-Backbone interact. energy: -3.317 local terms energy: -323.835650 where: bonds (distance) C4'-P energy: -60.704 bonds (distance) P-C4' energy: -59.557 flat angles C4'-P-C4' energy: -68.712 flat angles P-C4'-P energy: -47.381 tors. eta vs tors. theta energy: -87.482 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: 4, replica: 1 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1058.401439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.401439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.401439 (E_RNA) where: Base-Base interactions energy: -751.439 where: short stacking energy: -298.253 Base-Backbone interact. energy: -1.451 local terms energy: -305.511534 where: bonds (distance) C4'-P energy: -62.265 bonds (distance) P-C4' energy: -58.440 flat angles C4'-P-C4' energy: -65.934 flat angles P-C4'-P energy: -40.081 tors. eta vs tors. theta energy: -78.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -968.241422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.241422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.241422 (E_RNA) where: Base-Base interactions energy: -677.809 where: short stacking energy: -286.884 Base-Backbone interact. energy: -0.524 local terms energy: -289.907619 where: bonds (distance) C4'-P energy: -62.062 bonds (distance) P-C4' energy: -53.625 flat angles C4'-P-C4' energy: -66.836 flat angles P-C4'-P energy: -32.394 tors. eta vs tors. theta energy: -74.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -980.862781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.862781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.862781 (E_RNA) where: Base-Base interactions energy: -663.687 where: short stacking energy: -297.885 Base-Backbone interact. energy: -1.512 local terms energy: -315.664006 where: bonds (distance) C4'-P energy: -60.616 bonds (distance) P-C4' energy: -58.856 flat angles C4'-P-C4' energy: -62.135 flat angles P-C4'-P energy: -47.520 tors. eta vs tors. theta energy: -86.537 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: 6 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -851.154617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.154617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.154617 (E_RNA) where: Base-Base interactions energy: -595.340 where: short stacking energy: -255.266 Base-Backbone interact. energy: -1.014 local terms energy: -254.800700 where: bonds (distance) C4'-P energy: -47.984 bonds (distance) P-C4' energy: -59.393 flat angles C4'-P-C4' energy: -60.894 flat angles P-C4'-P energy: -28.565 tors. eta vs tors. theta energy: -57.964 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: 2 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -643.902788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.902788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.902788 (E_RNA) where: Base-Base interactions energy: -408.289 where: short stacking energy: -189.337 Base-Backbone interact. energy: -1.206 local terms energy: -234.408141 where: bonds (distance) C4'-P energy: -48.487 bonds (distance) P-C4' energy: -57.857 flat angles C4'-P-C4' energy: -53.159 flat angles P-C4'-P energy: -43.061 tors. eta vs tors. theta energy: -31.843 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: 9, replica: 5 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -547.589123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.589123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.589123 (E_RNA) where: Base-Base interactions energy: -343.959 where: short stacking energy: -160.211 Base-Backbone interact. energy: 4.854 local terms energy: -208.484534 where: bonds (distance) C4'-P energy: -45.228 bonds (distance) P-C4' energy: -64.434 flat angles C4'-P-C4' energy: -46.164 flat angles P-C4'-P energy: -30.004 tors. eta vs tors. theta energy: -22.655 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: 7 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -342.898651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.898651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.898651 (E_RNA) where: Base-Base interactions energy: -169.290 where: short stacking energy: -95.291 Base-Backbone interact. energy: 5.319 local terms energy: -178.927056 where: bonds (distance) C4'-P energy: -60.402 bonds (distance) P-C4' energy: -62.025 flat angles C4'-P-C4' energy: -39.673 flat angles P-C4'-P energy: -23.842 tors. eta vs tors. theta energy: 7.014 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: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1197.443291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.443291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.443291 (E_RNA) where: Base-Base interactions energy: -842.412 where: short stacking energy: -348.954 Base-Backbone interact. energy: -2.031 local terms energy: -353.000397 where: bonds (distance) C4'-P energy: -68.020 bonds (distance) P-C4' energy: -58.338 flat angles C4'-P-C4' energy: -74.919 flat angles P-C4'-P energy: -50.878 tors. eta vs tors. theta energy: -100.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1111.264188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.264188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.264188 (E_RNA) where: Base-Base interactions energy: -775.638 where: short stacking energy: -311.432 Base-Backbone interact. energy: 0.434 local terms energy: -336.060125 where: bonds (distance) C4'-P energy: -69.250 bonds (distance) P-C4' energy: -69.628 flat angles C4'-P-C4' energy: -63.230 flat angles P-C4'-P energy: -47.117 tors. eta vs tors. theta energy: -86.835 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: 10 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1075.090621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.090621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.090621 (E_RNA) where: Base-Base interactions energy: -756.053 where: short stacking energy: -314.421 Base-Backbone interact. energy: -1.049 local terms energy: -317.988444 where: bonds (distance) C4'-P energy: -47.677 bonds (distance) P-C4' energy: -66.678 flat angles C4'-P-C4' energy: -69.497 flat angles P-C4'-P energy: -39.680 tors. eta vs tors. theta energy: -94.457 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: 1 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1073.402822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.402822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.402822 (E_RNA) where: Base-Base interactions energy: -751.958 where: short stacking energy: -321.429 Base-Backbone interact. energy: -2.547 local terms energy: -318.898119 where: bonds (distance) C4'-P energy: -56.513 bonds (distance) P-C4' energy: -64.064 flat angles C4'-P-C4' energy: -66.416 flat angles P-C4'-P energy: -47.133 tors. eta vs tors. theta energy: -84.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -951.959627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.959627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.959627 (E_RNA) where: Base-Base interactions energy: -663.763 where: short stacking energy: -286.280 Base-Backbone interact. energy: -0.547 local terms energy: -287.649717 where: bonds (distance) C4'-P energy: -63.254 bonds (distance) P-C4' energy: -50.226 flat angles C4'-P-C4' energy: -62.150 flat angles P-C4'-P energy: -34.040 tors. eta vs tors. theta energy: -77.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1004.539589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.539589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.539589 (E_RNA) where: Base-Base interactions energy: -690.436 where: short stacking energy: -304.146 Base-Backbone interact. energy: -0.086 local terms energy: -314.017207 where: bonds (distance) C4'-P energy: -57.784 bonds (distance) P-C4' energy: -62.043 flat angles C4'-P-C4' energy: -58.043 flat angles P-C4'-P energy: -46.251 tors. eta vs tors. theta energy: -89.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -838.642445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.642445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.642445 (E_RNA) where: Base-Base interactions energy: -561.056 where: short stacking energy: -224.308 Base-Backbone interact. energy: -2.313 local terms energy: -275.273138 where: bonds (distance) C4'-P energy: -55.052 bonds (distance) P-C4' energy: -64.797 flat angles C4'-P-C4' energy: -61.081 flat angles P-C4'-P energy: -38.228 tors. eta vs tors. theta energy: -56.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -679.688229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.688229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.688229 (E_RNA) where: Base-Base interactions energy: -444.432 where: short stacking energy: -196.840 Base-Backbone interact. energy: -0.128 local terms energy: -235.127599 where: bonds (distance) C4'-P energy: -56.940 bonds (distance) P-C4' energy: -47.634 flat angles C4'-P-C4' energy: -54.716 flat angles P-C4'-P energy: -40.544 tors. eta vs tors. theta energy: -35.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -582.361554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.361554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.361554 (E_RNA) where: Base-Base interactions energy: -347.697 where: short stacking energy: -149.211 Base-Backbone interact. energy: -0.811 local terms energy: -233.853450 where: bonds (distance) C4'-P energy: -64.020 bonds (distance) P-C4' energy: -61.130 flat angles C4'-P-C4' energy: -58.481 flat angles P-C4'-P energy: -31.569 tors. eta vs tors. theta energy: -18.653 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: 7 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -372.297284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.297284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.297284 (E_RNA) where: Base-Base interactions energy: -218.837 where: short stacking energy: -110.560 Base-Backbone interact. energy: -2.047 local terms energy: -151.413912 where: bonds (distance) C4'-P energy: -40.191 bonds (distance) P-C4' energy: -58.999 flat angles C4'-P-C4' energy: -37.855 flat angles P-C4'-P energy: -23.811 tors. eta vs tors. theta energy: 9.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1187.700018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.700018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.700018 (E_RNA) where: Base-Base interactions energy: -837.542 where: short stacking energy: -340.683 Base-Backbone interact. energy: -1.985 local terms energy: -348.173462 where: bonds (distance) C4'-P energy: -71.322 bonds (distance) P-C4' energy: -47.338 flat angles C4'-P-C4' energy: -73.372 flat angles P-C4'-P energy: -51.046 tors. eta vs tors. theta energy: -105.096 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: 9 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1131.996248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.996248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.996248 (E_RNA) where: Base-Base interactions energy: -810.045 where: short stacking energy: -330.662 Base-Backbone interact. energy: -1.053 local terms energy: -320.898483 where: bonds (distance) C4'-P energy: -51.899 bonds (distance) P-C4' energy: -71.677 flat angles C4'-P-C4' energy: -68.421 flat angles P-C4'-P energy: -44.035 tors. eta vs tors. theta energy: -84.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1104.080825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.080825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.080825 (E_RNA) where: Base-Base interactions energy: -790.117 where: short stacking energy: -323.075 Base-Backbone interact. energy: 0.311 local terms energy: -314.275127 where: bonds (distance) C4'-P energy: -47.949 bonds (distance) P-C4' energy: -63.486 flat angles C4'-P-C4' energy: -66.988 flat angles P-C4'-P energy: -47.602 tors. eta vs tors. theta energy: -88.250 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: 10 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1044.808930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.808930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.808930 (E_RNA) where: Base-Base interactions energy: -726.938 where: short stacking energy: -328.495 Base-Backbone interact. energy: 1.213 local terms energy: -319.084477 where: bonds (distance) C4'-P energy: -61.585 bonds (distance) P-C4' energy: -54.280 flat angles C4'-P-C4' energy: -75.535 flat angles P-C4'-P energy: -37.197 tors. eta vs tors. theta energy: -90.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1043.209023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.209023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.209023 (E_RNA) where: Base-Base interactions energy: -710.758 where: short stacking energy: -325.175 Base-Backbone interact. energy: -0.539 local terms energy: -331.912148 where: bonds (distance) C4'-P energy: -58.117 bonds (distance) P-C4' energy: -53.059 flat angles C4'-P-C4' energy: -70.953 flat angles P-C4'-P energy: -50.927 tors. eta vs tors. theta energy: -98.856 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: 4 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -969.244464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.244464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.244464 (E_RNA) where: Base-Base interactions energy: -650.107 where: short stacking energy: -279.206 Base-Backbone interact. energy: 1.531 local terms energy: -320.668885 where: bonds (distance) C4'-P energy: -56.237 bonds (distance) P-C4' energy: -63.784 flat angles C4'-P-C4' energy: -73.750 flat angles P-C4'-P energy: -41.452 tors. eta vs tors. theta energy: -85.446 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: 7, replica: 6 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -811.360899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.360899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.360899 (E_RNA) where: Base-Base interactions energy: -547.073 where: short stacking energy: -240.329 Base-Backbone interact. energy: -1.821 local terms energy: -262.466782 where: bonds (distance) C4'-P energy: -44.539 bonds (distance) P-C4' energy: -62.611 flat angles C4'-P-C4' energy: -50.177 flat angles P-C4'-P energy: -44.557 tors. eta vs tors. theta energy: -60.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -649.984961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.984961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.984961 (E_RNA) where: Base-Base interactions energy: -415.925 where: short stacking energy: -192.599 Base-Backbone interact. energy: -2.711 local terms energy: -231.348914 where: bonds (distance) C4'-P energy: -52.652 bonds (distance) P-C4' energy: -44.946 flat angles C4'-P-C4' energy: -55.887 flat angles P-C4'-P energy: -41.335 tors. eta vs tors. theta energy: -36.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -564.554409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.554409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.554409 (E_RNA) where: Base-Base interactions energy: -333.066 where: short stacking energy: -144.056 Base-Backbone interact. energy: -1.515 local terms energy: -229.972986 where: bonds (distance) C4'-P energy: -55.227 bonds (distance) P-C4' energy: -56.088 flat angles C4'-P-C4' energy: -57.615 flat angles P-C4'-P energy: -32.054 tors. eta vs tors. theta energy: -28.989 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: 7 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -375.054511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.054511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.054511 (E_RNA) where: Base-Base interactions energy: -177.055 where: short stacking energy: -110.392 Base-Backbone interact. energy: 1.723 local terms energy: -199.722105 where: bonds (distance) C4'-P energy: -55.283 bonds (distance) P-C4' energy: -45.977 flat angles C4'-P-C4' energy: -53.042 flat angles P-C4'-P energy: -37.584 tors. eta vs tors. theta energy: -7.836 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: 1, replica: 8 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1173.250928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.250928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.250928 (E_RNA) where: Base-Base interactions energy: -804.470 where: short stacking energy: -336.483 Base-Backbone interact. energy: -2.210 local terms energy: -366.571309 where: bonds (distance) C4'-P energy: -65.759 bonds (distance) P-C4' energy: -69.735 flat angles C4'-P-C4' energy: -70.795 flat angles P-C4'-P energy: -56.827 tors. eta vs tors. theta energy: -103.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1121.670877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.670877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.670877 (E_RNA) where: Base-Base interactions energy: -784.906 where: short stacking energy: -311.653 Base-Backbone interact. energy: 0.155 local terms energy: -336.920201 where: bonds (distance) C4'-P energy: -59.582 bonds (distance) P-C4' energy: -67.498 flat angles C4'-P-C4' energy: -72.469 flat angles P-C4'-P energy: -44.711 tors. eta vs tors. theta energy: -92.660 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: 453 Temperature: 1.000000 Total energy: -1098.045191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.045191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.045191 (E_RNA) where: Base-Base interactions energy: -777.475 where: short stacking energy: -319.721 Base-Backbone interact. energy: -0.588 local terms energy: -319.982822 where: bonds (distance) C4'-P energy: -57.335 bonds (distance) P-C4' energy: -47.953 flat angles C4'-P-C4' energy: -73.128 flat angles P-C4'-P energy: -50.739 tors. eta vs tors. theta energy: -90.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1046.207722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.207722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.207722 (E_RNA) where: Base-Base interactions energy: -716.900 where: short stacking energy: -327.559 Base-Backbone interact. energy: -0.810 local terms energy: -328.498372 where: bonds (distance) C4'-P energy: -59.465 bonds (distance) P-C4' energy: -55.992 flat angles C4'-P-C4' energy: -69.682 flat angles P-C4'-P energy: -44.257 tors. eta vs tors. theta energy: -99.103 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: 10 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1033.119415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.119415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.119415 (E_RNA) where: Base-Base interactions energy: -702.784 where: short stacking energy: -289.249 Base-Backbone interact. energy: -1.458 local terms energy: -328.878272 where: bonds (distance) C4'-P energy: -60.126 bonds (distance) P-C4' energy: -62.515 flat angles C4'-P-C4' energy: -79.733 flat angles P-C4'-P energy: -43.924 tors. eta vs tors. theta energy: -82.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -966.317096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.317096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.317096 (E_RNA) where: Base-Base interactions energy: -659.985 where: short stacking energy: -274.076 Base-Backbone interact. energy: -1.036 local terms energy: -305.295852 where: bonds (distance) C4'-P energy: -58.777 bonds (distance) P-C4' energy: -63.578 flat angles C4'-P-C4' energy: -64.083 flat angles P-C4'-P energy: -41.347 tors. eta vs tors. theta energy: -77.511 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: 6 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -842.745504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.745504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.745504 (E_RNA) where: Base-Base interactions energy: -570.812 where: short stacking energy: -244.268 Base-Backbone interact. energy: 2.057 local terms energy: -273.990275 where: bonds (distance) C4'-P energy: -53.844 bonds (distance) P-C4' energy: -45.673 flat angles C4'-P-C4' energy: -64.268 flat angles P-C4'-P energy: -46.862 tors. eta vs tors. theta energy: -63.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -619.247862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.247862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.247862 (E_RNA) where: Base-Base interactions energy: -386.812 where: short stacking energy: -177.902 Base-Backbone interact. energy: -3.893 local terms energy: -228.542332 where: bonds (distance) C4'-P energy: -60.408 bonds (distance) P-C4' energy: -44.897 flat angles C4'-P-C4' energy: -58.963 flat angles P-C4'-P energy: -34.601 tors. eta vs tors. theta energy: -29.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -564.361476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.361476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.361476 (E_RNA) where: Base-Base interactions energy: -354.609 where: short stacking energy: -172.167 Base-Backbone interact. energy: 2.028 local terms energy: -211.780284 where: bonds (distance) C4'-P energy: -45.974 bonds (distance) P-C4' energy: -55.646 flat angles C4'-P-C4' energy: -56.930 flat angles P-C4'-P energy: -34.332 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: 10, replica: 7 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -354.534693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.534693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.534693 (E_RNA) where: Base-Base interactions energy: -187.272 where: short stacking energy: -130.197 Base-Backbone interact. energy: -0.620 local terms energy: -166.643386 where: bonds (distance) C4'-P energy: -49.949 bonds (distance) P-C4' energy: -57.929 flat angles C4'-P-C4' energy: -40.247 flat angles P-C4'-P energy: -17.966 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: 9 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1141.523895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.523895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.523895 (E_RNA) where: Base-Base interactions energy: -820.826 where: short stacking energy: -324.103 Base-Backbone interact. energy: -1.579 local terms energy: -319.119326 where: bonds (distance) C4'-P energy: -63.110 bonds (distance) P-C4' energy: -65.529 flat angles C4'-P-C4' energy: -67.813 flat angles P-C4'-P energy: -39.744 tors. eta vs tors. theta energy: -82.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1154.093830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.093830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.093830 (E_RNA) where: Base-Base interactions energy: -796.181 where: short stacking energy: -322.755 Base-Backbone interact. energy: -2.117 local terms energy: -355.796628 where: bonds (distance) C4'-P energy: -67.293 bonds (distance) P-C4' energy: -61.292 flat angles C4'-P-C4' energy: -70.702 flat angles P-C4'-P energy: -55.990 tors. eta vs tors. theta energy: -100.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1078.815417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.815417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.815417 (E_RNA) where: Base-Base interactions energy: -736.048 where: short stacking energy: -319.409 Base-Backbone interact. energy: -1.943 local terms energy: -340.825096 where: bonds (distance) C4'-P energy: -62.328 bonds (distance) P-C4' energy: -62.914 flat angles C4'-P-C4' energy: -70.627 flat angles P-C4'-P energy: -47.584 tors. eta vs tors. theta energy: -97.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1023.079627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.079627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.079627 (E_RNA) where: Base-Base interactions energy: -707.310 where: short stacking energy: -321.046 Base-Backbone interact. energy: 0.239 local terms energy: -316.008385 where: bonds (distance) C4'-P energy: -56.337 bonds (distance) P-C4' energy: -49.687 flat angles C4'-P-C4' energy: -71.588 flat angles P-C4'-P energy: -43.663 tors. eta vs tors. theta energy: -94.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1027.698700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.698700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.698700 (E_RNA) where: Base-Base interactions energy: -710.732 where: short stacking energy: -278.896 Base-Backbone interact. energy: -1.419 local terms energy: -315.547931 where: bonds (distance) C4'-P energy: -51.776 bonds (distance) P-C4' energy: -61.311 flat angles C4'-P-C4' energy: -74.697 flat angles P-C4'-P energy: -42.902 tors. eta vs tors. theta energy: -84.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -951.547254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.547254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.547254 (E_RNA) where: Base-Base interactions energy: -663.780 where: short stacking energy: -273.155 Base-Backbone interact. energy: -2.018 local terms energy: -285.749504 where: bonds (distance) C4'-P energy: -51.179 bonds (distance) P-C4' energy: -63.606 flat angles C4'-P-C4' energy: -52.315 flat angles P-C4'-P energy: -37.564 tors. eta vs tors. theta energy: -81.085 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: 454 Temperature: 1.200000 Total energy: -850.810625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.810625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.810625 (E_RNA) where: Base-Base interactions energy: -586.017 where: short stacking energy: -256.653 Base-Backbone interact. energy: -0.683 local terms energy: -264.110822 where: bonds (distance) C4'-P energy: -45.035 bonds (distance) P-C4' energy: -55.760 flat angles C4'-P-C4' energy: -65.413 flat angles P-C4'-P energy: -39.697 tors. eta vs tors. theta energy: -58.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -612.384778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.384778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.384778 (E_RNA) where: Base-Base interactions energy: -382.026 where: short stacking energy: -171.212 Base-Backbone interact. energy: -0.099 local terms energy: -230.259532 where: bonds (distance) C4'-P energy: -57.671 bonds (distance) P-C4' energy: -52.242 flat angles C4'-P-C4' energy: -57.225 flat angles P-C4'-P energy: -31.195 tors. eta vs tors. theta energy: -31.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -602.076940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.076940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.076940 (E_RNA) where: Base-Base interactions energy: -365.992 where: short stacking energy: -154.987 Base-Backbone interact. energy: -0.363 local terms energy: -235.722101 where: bonds (distance) C4'-P energy: -47.203 bonds (distance) P-C4' energy: -60.160 flat angles C4'-P-C4' energy: -59.780 flat angles P-C4'-P energy: -32.483 tors. eta vs tors. theta energy: -36.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -361.055760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.055760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.055760 (E_RNA) where: Base-Base interactions energy: -179.125 where: short stacking energy: -99.601 Base-Backbone interact. energy: 1.245 local terms energy: -183.176200 where: bonds (distance) C4'-P energy: -47.475 bonds (distance) P-C4' energy: -45.523 flat angles C4'-P-C4' energy: -47.700 flat angles P-C4'-P energy: -32.926 tors. eta vs tors. theta energy: -9.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1136.278410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.278410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.278410 (E_RNA) where: Base-Base interactions energy: -778.295 where: short stacking energy: -311.802 Base-Backbone interact. energy: -3.455 local terms energy: -354.529044 where: bonds (distance) C4'-P energy: -72.393 bonds (distance) P-C4' energy: -66.007 flat angles C4'-P-C4' energy: -71.014 flat angles P-C4'-P energy: -57.277 tors. eta vs tors. theta energy: -87.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1154.973074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.973074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.973074 (E_RNA) where: Base-Base interactions energy: -811.658 where: short stacking energy: -332.973 Base-Backbone interact. energy: -1.992 local terms energy: -341.322254 where: bonds (distance) C4'-P energy: -60.725 bonds (distance) P-C4' energy: -58.929 flat angles C4'-P-C4' energy: -68.977 flat angles P-C4'-P energy: -53.243 tors. eta vs tors. theta energy: -99.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1065.047690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.047690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.047690 (E_RNA) where: Base-Base interactions energy: -744.753 where: short stacking energy: -300.375 Base-Backbone interact. energy: -2.080 local terms energy: -318.214644 where: bonds (distance) C4'-P energy: -57.540 bonds (distance) P-C4' energy: -59.398 flat angles C4'-P-C4' energy: -70.463 flat angles P-C4'-P energy: -44.119 tors. eta vs tors. theta energy: -86.694 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: 455 Temperature: 1.050000 Total energy: -1068.226717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.226717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.226717 (E_RNA) where: Base-Base interactions energy: -738.933 where: short stacking energy: -324.043 Base-Backbone interact. energy: -0.038 local terms energy: -329.255536 where: bonds (distance) C4'-P energy: -64.058 bonds (distance) P-C4' energy: -55.333 flat angles C4'-P-C4' energy: -72.784 flat angles P-C4'-P energy: -41.207 tors. eta vs tors. theta energy: -95.874 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: 5, replica: 10 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1029.096410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.096410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.096410 (E_RNA) where: Base-Base interactions energy: -718.294 where: short stacking energy: -303.765 Base-Backbone interact. energy: -0.401 local terms energy: -310.402031 where: bonds (distance) C4'-P energy: -57.534 bonds (distance) P-C4' energy: -64.502 flat angles C4'-P-C4' energy: -65.625 flat angles P-C4'-P energy: -37.761 tors. eta vs tors. theta energy: -84.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -947.973306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.973306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.973306 (E_RNA) where: Base-Base interactions energy: -651.468 where: short stacking energy: -277.047 Base-Backbone interact. energy: -0.654 local terms energy: -295.850395 where: bonds (distance) C4'-P energy: -60.143 bonds (distance) P-C4' energy: -57.813 flat angles C4'-P-C4' energy: -58.476 flat angles P-C4'-P energy: -46.329 tors. eta vs tors. theta energy: -73.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -816.506239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.506239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.506239 (E_RNA) where: Base-Base interactions energy: -560.558 where: short stacking energy: -228.173 Base-Backbone interact. energy: -1.056 local terms energy: -254.892340 where: bonds (distance) C4'-P energy: -49.286 bonds (distance) P-C4' energy: -56.570 flat angles C4'-P-C4' energy: -67.818 flat angles P-C4'-P energy: -35.299 tors. eta vs tors. theta energy: -45.919 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: 5 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -637.981637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.981637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.981637 (E_RNA) where: Base-Base interactions energy: -406.811 where: short stacking energy: -196.184 Base-Backbone interact. energy: -0.148 local terms energy: -231.023265 where: bonds (distance) C4'-P energy: -48.904 bonds (distance) P-C4' energy: -63.210 flat angles C4'-P-C4' energy: -49.442 flat angles P-C4'-P energy: -33.728 tors. eta vs tors. theta energy: -35.738 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: 2 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -665.353613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.353613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.353613 (E_RNA) where: Base-Base interactions energy: -421.551 where: short stacking energy: -205.267 Base-Backbone interact. energy: 2.590 local terms energy: -246.392202 where: bonds (distance) C4'-P energy: -43.938 bonds (distance) P-C4' energy: -57.075 flat angles C4'-P-C4' energy: -62.434 flat angles P-C4'-P energy: -39.490 tors. eta vs tors. theta energy: -43.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -326.218212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.218212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.218212 (E_RNA) where: Base-Base interactions energy: -152.026 where: short stacking energy: -97.864 Base-Backbone interact. energy: -0.175 local terms energy: -174.017842 where: bonds (distance) C4'-P energy: -54.146 bonds (distance) P-C4' energy: -60.171 flat angles C4'-P-C4' energy: -36.222 flat angles P-C4'-P energy: -22.151 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1144.993939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.993939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.993939 (E_RNA) where: Base-Base interactions energy: -798.402 where: short stacking energy: -337.901 Base-Backbone interact. energy: -1.611 local terms energy: -344.980194 where: bonds (distance) C4'-P energy: -68.623 bonds (distance) P-C4' energy: -67.598 flat angles C4'-P-C4' energy: -72.585 flat angles P-C4'-P energy: -48.816 tors. eta vs tors. theta energy: -87.359 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: 8 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1146.591897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.591897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.591897 (E_RNA) where: Base-Base interactions energy: -797.758 where: short stacking energy: -323.985 Base-Backbone interact. energy: -1.028 local terms energy: -347.806332 where: bonds (distance) C4'-P energy: -59.478 bonds (distance) P-C4' energy: -71.173 flat angles C4'-P-C4' energy: -72.456 flat angles P-C4'-P energy: -45.700 tors. eta vs tors. theta energy: -98.998 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: 1 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1109.026324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.026324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.026324 (E_RNA) where: Base-Base interactions energy: -769.491 where: short stacking energy: -303.705 Base-Backbone interact. energy: -2.921 local terms energy: -336.614127 where: bonds (distance) C4'-P energy: -60.861 bonds (distance) P-C4' energy: -62.729 flat angles C4'-P-C4' energy: -72.755 flat angles P-C4'-P energy: -46.963 tors. eta vs tors. theta energy: -93.306 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: 3 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1038.005098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.005098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.005098 (E_RNA) where: Base-Base interactions energy: -700.383 where: short stacking energy: -315.363 Base-Backbone interact. energy: -0.011 local terms energy: -337.611200 where: bonds (distance) C4'-P energy: -62.039 bonds (distance) P-C4' energy: -64.189 flat angles C4'-P-C4' energy: -66.057 flat angles P-C4'-P energy: -43.788 tors. eta vs tors. theta energy: -101.537 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: 10 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1035.937682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.937682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.937682 (E_RNA) where: Base-Base interactions energy: -737.791 where: short stacking energy: -311.534 Base-Backbone interact. energy: -1.009 local terms energy: -297.138507 where: bonds (distance) C4'-P energy: -54.095 bonds (distance) P-C4' energy: -44.846 flat angles C4'-P-C4' energy: -68.495 flat angles P-C4'-P energy: -40.274 tors. eta vs tors. theta energy: -89.429 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: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -928.557821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.557821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.557821 (E_RNA) where: Base-Base interactions energy: -643.283 where: short stacking energy: -276.340 Base-Backbone interact. energy: -0.363 local terms energy: -284.911780 where: bonds (distance) C4'-P energy: -55.553 bonds (distance) P-C4' energy: -57.001 flat angles C4'-P-C4' energy: -62.668 flat angles P-C4'-P energy: -36.060 tors. eta vs tors. theta energy: -73.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -850.251974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.251974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.251974 (E_RNA) where: Base-Base interactions energy: -581.612 where: short stacking energy: -249.063 Base-Backbone interact. energy: -0.638 local terms energy: -268.002049 where: bonds (distance) C4'-P energy: -53.709 bonds (distance) P-C4' energy: -60.702 flat angles C4'-P-C4' energy: -56.353 flat angles P-C4'-P energy: -40.767 tors. eta vs tors. theta energy: -56.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -614.983099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.983099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.983099 (E_RNA) where: Base-Base interactions energy: -388.961 where: short stacking energy: -180.868 Base-Backbone interact. energy: -0.271 local terms energy: -225.751474 where: bonds (distance) C4'-P energy: -49.129 bonds (distance) P-C4' energy: -61.317 flat angles C4'-P-C4' energy: -55.647 flat angles P-C4'-P energy: -18.206 tors. eta vs tors. theta energy: -41.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -611.895227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.895227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.895227 (E_RNA) where: Base-Base interactions energy: -385.839 where: short stacking energy: -181.141 Base-Backbone interact. energy: -0.877 local terms energy: -225.178676 where: bonds (distance) C4'-P energy: -56.979 bonds (distance) P-C4' energy: -47.130 flat angles C4'-P-C4' energy: -58.149 flat angles P-C4'-P energy: -18.546 tors. eta vs tors. theta energy: -44.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -353.398808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.398808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.398808 (E_RNA) where: Base-Base interactions energy: -171.625 where: short stacking energy: -102.842 Base-Backbone interact. energy: -1.093 local terms energy: -180.680381 where: bonds (distance) C4'-P energy: -47.213 bonds (distance) P-C4' energy: -34.698 flat angles C4'-P-C4' energy: -58.975 flat angles P-C4'-P energy: -32.731 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: 1, replica: 9 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1151.873898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.873898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.873898 (E_RNA) where: Base-Base interactions energy: -781.679 where: short stacking energy: -339.522 Base-Backbone interact. energy: -3.069 local terms energy: -367.125992 where: bonds (distance) C4'-P energy: -70.115 bonds (distance) P-C4' energy: -71.121 flat angles C4'-P-C4' energy: -75.796 flat angles P-C4'-P energy: -54.177 tors. eta vs tors. theta energy: -95.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1158.667381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.667381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.667381 (E_RNA) where: Base-Base interactions energy: -805.981 where: short stacking energy: -328.128 Base-Backbone interact. energy: -1.459 local terms energy: -351.227339 where: bonds (distance) C4'-P energy: -65.621 bonds (distance) P-C4' energy: -64.921 flat angles C4'-P-C4' energy: -74.036 flat angles P-C4'-P energy: -42.188 tors. eta vs tors. theta energy: -104.460 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: 1 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1069.993134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.993134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.993134 (E_RNA) where: Base-Base interactions energy: -743.121 where: short stacking energy: -304.815 Base-Backbone interact. energy: -1.931 local terms energy: -324.940654 where: bonds (distance) C4'-P energy: -66.799 bonds (distance) P-C4' energy: -63.591 flat angles C4'-P-C4' energy: -68.273 flat angles P-C4'-P energy: -45.606 tors. eta vs tors. theta energy: -80.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1050.370157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.370157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.370157 (E_RNA) where: Base-Base interactions energy: -724.379 where: short stacking energy: -301.744 Base-Backbone interact. energy: -0.581 local terms energy: -325.410760 where: bonds (distance) C4'-P energy: -61.239 bonds (distance) P-C4' energy: -57.623 flat angles C4'-P-C4' energy: -70.474 flat angles P-C4'-P energy: -47.504 tors. eta vs tors. theta energy: -88.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1006.582736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.582736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.582736 (E_RNA) where: Base-Base interactions energy: -691.306 where: short stacking energy: -319.462 Base-Backbone interact. energy: -0.313 local terms energy: -314.963535 where: bonds (distance) C4'-P energy: -60.330 bonds (distance) P-C4' energy: -60.668 flat angles C4'-P-C4' energy: -60.615 flat angles P-C4'-P energy: -36.033 tors. eta vs tors. theta energy: -97.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -933.632758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.632758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.632758 (E_RNA) where: Base-Base interactions energy: -644.451 where: short stacking energy: -270.486 Base-Backbone interact. energy: -0.458 local terms energy: -288.723024 where: bonds (distance) C4'-P energy: -59.690 bonds (distance) P-C4' energy: -47.060 flat angles C4'-P-C4' energy: -66.928 flat angles P-C4'-P energy: -45.987 tors. eta vs tors. theta energy: -69.057 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: 6 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -817.702176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.702176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.702176 (E_RNA) where: Base-Base interactions energy: -556.080 where: short stacking energy: -225.003 Base-Backbone interact. energy: -0.079 local terms energy: -261.542857 where: bonds (distance) C4'-P energy: -46.716 bonds (distance) P-C4' energy: -45.374 flat angles C4'-P-C4' energy: -63.607 flat angles P-C4'-P energy: -45.435 tors. eta vs tors. theta energy: -60.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -660.903696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.903696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.903696 (E_RNA) where: Base-Base interactions energy: -409.877 where: short stacking energy: -185.413 Base-Backbone interact. energy: -1.372 local terms energy: -249.655343 where: bonds (distance) C4'-P energy: -53.384 bonds (distance) P-C4' energy: -65.634 flat angles C4'-P-C4' energy: -53.904 flat angles P-C4'-P energy: -26.892 tors. eta vs tors. theta energy: -49.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -597.936645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.936645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.936645 (E_RNA) where: Base-Base interactions energy: -360.666 where: short stacking energy: -178.177 Base-Backbone interact. energy: 0.690 local terms energy: -237.960332 where: bonds (distance) C4'-P energy: -54.504 bonds (distance) P-C4' energy: -64.697 flat angles C4'-P-C4' energy: -57.173 flat angles P-C4'-P energy: -37.984 tors. eta vs tors. theta energy: -23.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -369.518879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.518879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.518879 (E_RNA) where: Base-Base interactions energy: -192.854 where: short stacking energy: -124.499 Base-Backbone interact. energy: 4.311 local terms energy: -180.975885 where: bonds (distance) C4'-P energy: -47.609 bonds (distance) P-C4' energy: -42.658 flat angles C4'-P-C4' energy: -52.887 flat angles P-C4'-P energy: -28.174 tors. eta vs tors. theta energy: -9.648 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: 8 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1198.717234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.717234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.717234 (E_RNA) where: Base-Base interactions energy: -842.640 where: short stacking energy: -359.782 Base-Backbone interact. energy: -1.626 local terms energy: -354.451007 where: bonds (distance) C4'-P energy: -64.328 bonds (distance) P-C4' energy: -61.147 flat angles C4'-P-C4' energy: -75.171 flat angles P-C4'-P energy: -53.574 tors. eta vs tors. theta energy: -100.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1129.889780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.889780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.889780 (E_RNA) where: Base-Base interactions energy: -791.921 where: short stacking energy: -349.393 Base-Backbone interact. energy: 0.288 local terms energy: -338.257203 where: bonds (distance) C4'-P energy: -53.597 bonds (distance) P-C4' energy: -64.785 flat angles C4'-P-C4' energy: -70.450 flat angles P-C4'-P energy: -47.822 tors. eta vs tors. theta energy: -101.603 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: 1 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1075.798744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.798744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.798744 (E_RNA) where: Base-Base interactions energy: -751.065 where: short stacking energy: -293.438 Base-Backbone interact. energy: 0.606 local terms energy: -325.339559 where: bonds (distance) C4'-P energy: -66.502 bonds (distance) P-C4' energy: -60.047 flat angles C4'-P-C4' energy: -66.809 flat angles P-C4'-P energy: -49.598 tors. eta vs tors. theta energy: -82.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1059.035104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.035104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.035104 (E_RNA) where: Base-Base interactions energy: -730.489 where: short stacking energy: -314.101 Base-Backbone interact. energy: -0.601 local terms energy: -327.945736 where: bonds (distance) C4'-P energy: -53.002 bonds (distance) P-C4' energy: -74.375 flat angles C4'-P-C4' energy: -70.937 flat angles P-C4'-P energy: -36.115 tors. eta vs tors. theta energy: -93.517 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: 3 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1025.088059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.088059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.088059 (E_RNA) where: Base-Base interactions energy: -708.357 where: short stacking energy: -313.743 Base-Backbone interact. energy: -0.327 local terms energy: -316.404044 where: bonds (distance) C4'-P energy: -54.049 bonds (distance) P-C4' energy: -56.691 flat angles C4'-P-C4' energy: -67.094 flat angles P-C4'-P energy: -40.898 tors. eta vs tors. theta energy: -97.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -969.892837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.892837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.892837 (E_RNA) where: Base-Base interactions energy: -663.459 where: short stacking energy: -279.715 Base-Backbone interact. energy: -0.732 local terms energy: -305.701802 where: bonds (distance) C4'-P energy: -58.455 bonds (distance) P-C4' energy: -65.112 flat angles C4'-P-C4' energy: -62.282 flat angles P-C4'-P energy: -51.013 tors. eta vs tors. theta energy: -68.841 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: 6 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -869.696148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.696148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.696148 (E_RNA) where: Base-Base interactions energy: -593.316 where: short stacking energy: -236.261 Base-Backbone interact. energy: 2.841 local terms energy: -279.221655 where: bonds (distance) C4'-P energy: -56.940 bonds (distance) P-C4' energy: -53.881 flat angles C4'-P-C4' energy: -58.645 flat angles P-C4'-P energy: -49.004 tors. eta vs tors. theta energy: -60.752 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: 2 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -710.315298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.315298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.315298 (E_RNA) where: Base-Base interactions energy: -481.123 where: short stacking energy: -203.353 Base-Backbone interact. energy: 0.492 local terms energy: -229.684046 where: bonds (distance) C4'-P energy: -50.617 bonds (distance) P-C4' energy: -58.382 flat angles C4'-P-C4' energy: -48.633 flat angles P-C4'-P energy: -36.642 tors. eta vs tors. theta energy: -35.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -577.594631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.594631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.594631 (E_RNA) where: Base-Base interactions energy: -363.278 where: short stacking energy: -164.067 Base-Backbone interact. energy: -2.368 local terms energy: -211.949030 where: bonds (distance) C4'-P energy: -54.637 bonds (distance) P-C4' energy: -53.868 flat angles C4'-P-C4' energy: -43.392 flat angles P-C4'-P energy: -34.631 tors. eta vs tors. theta energy: -25.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -315.186904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.186904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.186904 (E_RNA) where: Base-Base interactions energy: -133.868 where: short stacking energy: -103.467 Base-Backbone interact. energy: -1.692 local terms energy: -179.627304 where: bonds (distance) C4'-P energy: -51.799 bonds (distance) P-C4' energy: -50.259 flat angles C4'-P-C4' energy: -47.710 flat angles P-C4'-P energy: -24.244 tors. eta vs tors. theta energy: -5.615 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: 8 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1207.350436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.350436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.350436 (E_RNA) where: Base-Base interactions energy: -851.450 where: short stacking energy: -361.647 Base-Backbone interact. energy: 0.632 local terms energy: -356.532773 where: bonds (distance) C4'-P energy: -54.873 bonds (distance) P-C4' energy: -70.933 flat angles C4'-P-C4' energy: -70.302 flat angles P-C4'-P energy: -56.974 tors. eta vs tors. theta energy: -103.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1124.685601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.685601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.685601 (E_RNA) where: Base-Base interactions energy: -787.983 where: short stacking energy: -335.096 Base-Backbone interact. energy: -0.253 local terms energy: -336.449539 where: bonds (distance) C4'-P energy: -66.171 bonds (distance) P-C4' energy: -62.591 flat angles C4'-P-C4' energy: -66.073 flat angles P-C4'-P energy: -44.313 tors. eta vs tors. theta energy: -97.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1078.931413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.931413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.931413 (E_RNA) where: Base-Base interactions energy: -740.978 where: short stacking energy: -333.833 Base-Backbone interact. energy: -0.203 local terms energy: -337.751108 where: bonds (distance) C4'-P energy: -55.521 bonds (distance) P-C4' energy: -64.646 flat angles C4'-P-C4' energy: -70.793 flat angles P-C4'-P energy: -50.755 tors. eta vs tors. theta energy: -96.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1070.519747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.519747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.519747 (E_RNA) where: Base-Base interactions energy: -741.179 where: short stacking energy: -318.004 Base-Backbone interact. energy: -0.443 local terms energy: -328.898449 where: bonds (distance) C4'-P energy: -65.459 bonds (distance) P-C4' energy: -63.102 flat angles C4'-P-C4' energy: -66.280 flat angles P-C4'-P energy: -44.644 tors. eta vs tors. theta energy: -89.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1024.773687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.773687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.773687 (E_RNA) where: Base-Base interactions energy: -698.380 where: short stacking energy: -324.850 Base-Backbone interact. energy: -0.323 local terms energy: -326.071005 where: bonds (distance) C4'-P energy: -59.171 bonds (distance) P-C4' energy: -63.923 flat angles C4'-P-C4' energy: -66.626 flat angles P-C4'-P energy: -41.365 tors. eta vs tors. theta energy: -94.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -957.300816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.300816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.300816 (E_RNA) where: Base-Base interactions energy: -661.771 where: short stacking energy: -280.273 Base-Backbone interact. energy: -0.942 local terms energy: -294.588290 where: bonds (distance) C4'-P energy: -38.906 bonds (distance) P-C4' energy: -63.712 flat angles C4'-P-C4' energy: -71.843 flat angles P-C4'-P energy: -39.615 tors. eta vs tors. theta energy: -80.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -854.382689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.382689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.382689 (E_RNA) where: Base-Base interactions energy: -573.632 where: short stacking energy: -230.027 Base-Backbone interact. energy: -1.409 local terms energy: -279.341804 where: bonds (distance) C4'-P energy: -65.461 bonds (distance) P-C4' energy: -47.733 flat angles C4'-P-C4' energy: -63.942 flat angles P-C4'-P energy: -35.238 tors. eta vs tors. theta energy: -66.968 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: 2 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -711.367727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.367727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.367727 (E_RNA) where: Base-Base interactions energy: -467.309 where: short stacking energy: -213.010 Base-Backbone interact. energy: -1.511 local terms energy: -242.547730 where: bonds (distance) C4'-P energy: -49.503 bonds (distance) P-C4' energy: -52.577 flat angles C4'-P-C4' energy: -59.087 flat angles P-C4'-P energy: -37.206 tors. eta vs tors. theta energy: -44.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -594.716944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.716944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.716944 (E_RNA) where: Base-Base interactions energy: -373.627 where: short stacking energy: -179.855 Base-Backbone interact. energy: -1.317 local terms energy: -219.773317 where: bonds (distance) C4'-P energy: -45.022 bonds (distance) P-C4' energy: -61.250 flat angles C4'-P-C4' energy: -48.110 flat angles P-C4'-P energy: -33.230 tors. eta vs tors. theta energy: -32.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -279.217752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.217752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.217752 (E_RNA) where: Base-Base interactions energy: -87.900 where: short stacking energy: -79.484 Base-Backbone interact. energy: -0.996 local terms energy: -190.322169 where: bonds (distance) C4'-P energy: -55.516 bonds (distance) P-C4' energy: -46.839 flat angles C4'-P-C4' energy: -53.901 flat angles P-C4'-P energy: -34.012 tors. eta vs tors. theta energy: -0.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1188.954603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.954603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.954603 (E_RNA) where: Base-Base interactions energy: -831.616 where: short stacking energy: -339.431 Base-Backbone interact. energy: -1.987 local terms energy: -355.351463 where: bonds (distance) C4'-P energy: -63.135 bonds (distance) P-C4' energy: -64.692 flat angles C4'-P-C4' energy: -70.234 flat angles P-C4'-P energy: -51.280 tors. eta vs tors. theta energy: -106.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1124.274618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.274618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.274618 (E_RNA) where: Base-Base interactions energy: -783.765 where: short stacking energy: -330.053 Base-Backbone interact. energy: -0.627 local terms energy: -339.882451 where: bonds (distance) C4'-P energy: -61.469 bonds (distance) P-C4' energy: -64.298 flat angles C4'-P-C4' energy: -68.961 flat angles P-C4'-P energy: -52.829 tors. eta vs tors. theta energy: -92.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1070.766629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.766629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.766629 (E_RNA) where: Base-Base interactions energy: -734.154 where: short stacking energy: -327.650 Base-Backbone interact. energy: -0.288 local terms energy: -336.323775 where: bonds (distance) C4'-P energy: -65.622 bonds (distance) P-C4' energy: -58.593 flat angles C4'-P-C4' energy: -69.923 flat angles P-C4'-P energy: -46.323 tors. eta vs tors. theta energy: -95.863 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: 1 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1050.423981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.423981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.423981 (E_RNA) where: Base-Base interactions energy: -737.194 where: short stacking energy: -293.733 Base-Backbone interact. energy: 1.759 local terms energy: -314.988387 where: bonds (distance) C4'-P energy: -60.917 bonds (distance) P-C4' energy: -54.456 flat angles C4'-P-C4' energy: -68.805 flat angles P-C4'-P energy: -44.920 tors. eta vs tors. theta energy: -85.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1016.703430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.703430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.703430 (E_RNA) where: Base-Base interactions energy: -694.547 where: short stacking energy: -321.724 Base-Backbone interact. energy: -0.400 local terms energy: -321.756892 where: bonds (distance) C4'-P energy: -53.787 bonds (distance) P-C4' energy: -63.769 flat angles C4'-P-C4' energy: -68.906 flat angles P-C4'-P energy: -43.724 tors. eta vs tors. theta energy: -91.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -927.629529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.629529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.629529 (E_RNA) where: Base-Base interactions energy: -635.643 where: short stacking energy: -259.236 Base-Backbone interact. energy: 1.326 local terms energy: -293.312431 where: bonds (distance) C4'-P energy: -60.253 bonds (distance) P-C4' energy: -52.342 flat angles C4'-P-C4' energy: -67.965 flat angles P-C4'-P energy: -38.596 tors. eta vs tors. theta energy: -74.157 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: 7, replica: 6 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -795.278398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.278398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.278398 (E_RNA) where: Base-Base interactions energy: -547.315 where: short stacking energy: -241.093 Base-Backbone interact. energy: -1.197 local terms energy: -246.766640 where: bonds (distance) C4'-P energy: -49.417 bonds (distance) P-C4' energy: -52.052 flat angles C4'-P-C4' energy: -57.033 flat angles P-C4'-P energy: -39.152 tors. eta vs tors. theta energy: -49.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -712.124540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.124540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.124540 (E_RNA) where: Base-Base interactions energy: -448.704 where: short stacking energy: -199.090 Base-Backbone interact. energy: 0.458 local terms energy: -263.878877 where: bonds (distance) C4'-P energy: -57.001 bonds (distance) P-C4' energy: -65.383 flat angles C4'-P-C4' energy: -62.284 flat angles P-C4'-P energy: -39.263 tors. eta vs tors. theta energy: -39.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -582.328772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.328772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.328772 (E_RNA) where: Base-Base interactions energy: -369.844 where: short stacking energy: -163.224 Base-Backbone interact. energy: -2.698 local terms energy: -209.787338 where: bonds (distance) C4'-P energy: -44.618 bonds (distance) P-C4' energy: -55.991 flat angles C4'-P-C4' energy: -55.786 flat angles P-C4'-P energy: -24.780 tors. eta vs tors. theta energy: -28.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -302.056293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.056293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.056293 (E_RNA) where: Base-Base interactions energy: -122.139 where: short stacking energy: -88.172 Base-Backbone interact. energy: 0.835 local terms energy: -180.752278 where: bonds (distance) C4'-P energy: -60.049 bonds (distance) P-C4' energy: -57.648 flat angles C4'-P-C4' energy: -44.235 flat angles P-C4'-P energy: -26.248 tors. eta vs tors. theta energy: 7.427 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: 8 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1192.342660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.342660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.342660 (E_RNA) where: Base-Base interactions energy: -839.785 where: short stacking energy: -345.512 Base-Backbone interact. energy: -1.326 local terms energy: -351.232035 where: bonds (distance) C4'-P energy: -52.986 bonds (distance) P-C4' energy: -64.607 flat angles C4'-P-C4' energy: -80.137 flat angles P-C4'-P energy: -57.423 tors. eta vs tors. theta energy: -96.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1114.648637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.648637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.648637 (E_RNA) where: Base-Base interactions energy: -786.779 where: short stacking energy: -324.527 Base-Backbone interact. energy: -0.346 local terms energy: -327.524323 where: bonds (distance) C4'-P energy: -58.740 bonds (distance) P-C4' energy: -63.591 flat angles C4'-P-C4' energy: -70.884 flat angles P-C4'-P energy: -48.898 tors. eta vs tors. theta energy: -85.411 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: 3, replica: 10 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1070.736944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.736944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.736944 (E_RNA) where: Base-Base interactions energy: -758.766 where: short stacking energy: -327.125 Base-Backbone interact. energy: -0.074 local terms energy: -311.896877 where: bonds (distance) C4'-P energy: -54.837 bonds (distance) P-C4' energy: -56.175 flat angles C4'-P-C4' energy: -65.915 flat angles P-C4'-P energy: -42.061 tors. eta vs tors. theta energy: -92.909 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: 461 Temperature: 1.050000 Total energy: -1069.697824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.697824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.697824 (E_RNA) where: Base-Base interactions energy: -744.413 where: short stacking energy: -291.732 Base-Backbone interact. energy: -1.189 local terms energy: -324.095778 where: bonds (distance) C4'-P energy: -59.155 bonds (distance) P-C4' energy: -59.768 flat angles C4'-P-C4' energy: -76.044 flat angles P-C4'-P energy: -46.246 tors. eta vs tors. theta energy: -82.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -968.422408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.422408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.422408 (E_RNA) where: Base-Base interactions energy: -678.064 where: short stacking energy: -292.114 Base-Backbone interact. energy: 5.744 local terms energy: -296.102426 where: bonds (distance) C4'-P energy: -58.756 bonds (distance) P-C4' energy: -48.295 flat angles C4'-P-C4' energy: -62.258 flat angles P-C4'-P energy: -39.193 tors. eta vs tors. theta energy: -87.601 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: 461 Temperature: 1.150000 Total energy: -931.817629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.817629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.817629 (E_RNA) where: Base-Base interactions energy: -630.818 where: short stacking energy: -268.812 Base-Backbone interact. energy: -0.744 local terms energy: -300.255328 where: bonds (distance) C4'-P energy: -61.003 bonds (distance) P-C4' energy: -49.565 flat angles C4'-P-C4' energy: -68.854 flat angles P-C4'-P energy: -41.695 tors. eta vs tors. theta energy: -79.138 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: 7, replica: 6 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -801.878046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.878046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.878046 (E_RNA) where: Base-Base interactions energy: -562.748 where: short stacking energy: -232.956 Base-Backbone interact. energy: 3.397 local terms energy: -242.527989 where: bonds (distance) C4'-P energy: -44.629 bonds (distance) P-C4' energy: -57.617 flat angles C4'-P-C4' energy: -53.375 flat angles P-C4'-P energy: -38.485 tors. eta vs tors. theta energy: -48.423 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: 2 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -717.466851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.466851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.466851 (E_RNA) where: Base-Base interactions energy: -457.865 where: short stacking energy: -229.323 Base-Backbone interact. energy: -0.227 local terms energy: -259.374717 where: bonds (distance) C4'-P energy: -55.331 bonds (distance) P-C4' energy: -49.788 flat angles C4'-P-C4' energy: -58.269 flat angles P-C4'-P energy: -43.118 tors. eta vs tors. theta energy: -52.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -543.444534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.444534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.444534 (E_RNA) where: Base-Base interactions energy: -336.196 where: short stacking energy: -166.281 Base-Backbone interact. energy: 3.773 local terms energy: -211.021832 where: bonds (distance) C4'-P energy: -43.867 bonds (distance) P-C4' energy: -64.515 flat angles C4'-P-C4' energy: -46.001 flat angles P-C4'-P energy: -33.069 tors. eta vs tors. theta energy: -23.570 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: 10, replica: 7 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -325.963929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.963929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.963929 (E_RNA) where: Base-Base interactions energy: -148.656 where: short stacking energy: -114.626 Base-Backbone interact. energy: 0.006 local terms energy: -177.314519 where: bonds (distance) C4'-P energy: -54.940 bonds (distance) P-C4' energy: -54.767 flat angles C4'-P-C4' energy: -44.696 flat angles P-C4'-P energy: -13.425 tors. eta vs tors. theta energy: -9.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1177.067551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.067551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.067551 (E_RNA) where: Base-Base interactions energy: -818.978 where: short stacking energy: -346.137 Base-Backbone interact. energy: -0.707 local terms energy: -357.381728 where: bonds (distance) C4'-P energy: -66.883 bonds (distance) P-C4' energy: -58.612 flat angles C4'-P-C4' energy: -72.903 flat angles P-C4'-P energy: -54.361 tors. eta vs tors. theta energy: -104.622 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: 9 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1121.604939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.604939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.604939 (E_RNA) where: Base-Base interactions energy: -777.608 where: short stacking energy: -313.679 Base-Backbone interact. energy: -1.068 local terms energy: -342.928956 where: bonds (distance) C4'-P energy: -59.692 bonds (distance) P-C4' energy: -62.425 flat angles C4'-P-C4' energy: -77.648 flat angles P-C4'-P energy: -44.546 tors. eta vs tors. theta energy: -98.618 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: 462 Temperature: 1.000000 Total energy: -1103.250164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.250164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.250164 (E_RNA) where: Base-Base interactions energy: -773.044 where: short stacking energy: -319.754 Base-Backbone interact. energy: -1.575 local terms energy: -328.630888 where: bonds (distance) C4'-P energy: -51.434 bonds (distance) P-C4' energy: -67.086 flat angles C4'-P-C4' energy: -74.913 flat angles P-C4'-P energy: -46.340 tors. eta vs tors. theta energy: -88.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1048.015089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.015089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.015089 (E_RNA) where: Base-Base interactions energy: -732.009 where: short stacking energy: -315.454 Base-Backbone interact. energy: -0.998 local terms energy: -315.008079 where: bonds (distance) C4'-P energy: -52.821 bonds (distance) P-C4' energy: -69.315 flat angles C4'-P-C4' energy: -64.065 flat angles P-C4'-P energy: -46.765 tors. eta vs tors. theta energy: -82.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -963.471353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.471353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.471353 (E_RNA) where: Base-Base interactions energy: -654.018 where: short stacking energy: -292.492 Base-Backbone interact. energy: 1.761 local terms energy: -311.214536 where: bonds (distance) C4'-P energy: -65.500 bonds (distance) P-C4' energy: -54.924 flat angles C4'-P-C4' energy: -67.556 flat angles P-C4'-P energy: -43.277 tors. eta vs tors. theta energy: -79.957 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: 3 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -915.371684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.371684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.371684 (E_RNA) where: Base-Base interactions energy: -605.128 where: short stacking energy: -285.061 Base-Backbone interact. energy: -1.639 local terms energy: -308.604710 where: bonds (distance) C4'-P energy: -62.848 bonds (distance) P-C4' energy: -60.146 flat angles C4'-P-C4' energy: -68.473 flat angles P-C4'-P energy: -37.949 tors. eta vs tors. theta energy: -79.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -860.901238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.901238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.901238 (E_RNA) where: Base-Base interactions energy: -583.494 where: short stacking energy: -257.363 Base-Backbone interact. energy: -1.060 local terms energy: -276.347503 where: bonds (distance) C4'-P energy: -48.200 bonds (distance) P-C4' energy: -72.215 flat angles C4'-P-C4' energy: -64.954 flat angles P-C4'-P energy: -24.445 tors. eta vs tors. theta energy: -66.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -678.415236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.415236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.415236 (E_RNA) where: Base-Base interactions energy: -430.966 where: short stacking energy: -192.369 Base-Backbone interact. energy: -1.858 local terms energy: -245.591804 where: bonds (distance) C4'-P energy: -62.496 bonds (distance) P-C4' energy: -57.646 flat angles C4'-P-C4' energy: -52.331 flat angles P-C4'-P energy: -41.270 tors. eta vs tors. theta energy: -31.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -604.143368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.143368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.143368 (E_RNA) where: Base-Base interactions energy: -372.116 where: short stacking energy: -164.673 Base-Backbone interact. energy: -0.111 local terms energy: -231.916125 where: bonds (distance) C4'-P energy: -41.847 bonds (distance) P-C4' energy: -60.209 flat angles C4'-P-C4' energy: -57.031 flat angles P-C4'-P energy: -36.557 tors. eta vs tors. theta energy: -36.272 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: 7 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -288.611729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.611729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.611729 (E_RNA) where: Base-Base interactions energy: -101.667 where: short stacking energy: -73.954 Base-Backbone interact. energy: 3.485 local terms energy: -190.429114 where: bonds (distance) C4'-P energy: -56.233 bonds (distance) P-C4' energy: -53.250 flat angles C4'-P-C4' energy: -40.125 flat angles P-C4'-P energy: -31.809 tors. eta vs tors. theta energy: -9.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1181.250303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.250303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.250303 (E_RNA) where: Base-Base interactions energy: -815.437 where: short stacking energy: -338.746 Base-Backbone interact. energy: -2.930 local terms energy: -362.883329 where: bonds (distance) C4'-P energy: -68.638 bonds (distance) P-C4' energy: -68.562 flat angles C4'-P-C4' energy: -72.709 flat angles P-C4'-P energy: -55.488 tors. eta vs tors. theta energy: -97.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1126.639113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.639113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.639113 (E_RNA) where: Base-Base interactions energy: -779.432 where: short stacking energy: -319.387 Base-Backbone interact. energy: -1.561 local terms energy: -345.645754 where: bonds (distance) C4'-P energy: -59.696 bonds (distance) P-C4' energy: -70.680 flat angles C4'-P-C4' energy: -75.920 flat angles P-C4'-P energy: -51.166 tors. eta vs tors. theta energy: -88.183 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: 1 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1089.557308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.557308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.557308 (E_RNA) where: Base-Base interactions energy: -754.839 where: short stacking energy: -321.754 Base-Backbone interact. energy: -1.600 local terms energy: -333.118728 where: bonds (distance) C4'-P energy: -46.592 bonds (distance) P-C4' energy: -52.193 flat angles C4'-P-C4' energy: -82.719 flat angles P-C4'-P energy: -58.016 tors. eta vs tors. theta energy: -93.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1045.847641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.847641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.847641 (E_RNA) where: Base-Base interactions energy: -740.573 where: short stacking energy: -300.819 Base-Backbone interact. energy: -1.156 local terms energy: -304.118982 where: bonds (distance) C4'-P energy: -58.235 bonds (distance) P-C4' energy: -48.467 flat angles C4'-P-C4' energy: -70.468 flat angles P-C4'-P energy: -41.133 tors. eta vs tors. theta energy: -85.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -954.297851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.297851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.297851 (E_RNA) where: Base-Base interactions energy: -658.515 where: short stacking energy: -285.379 Base-Backbone interact. energy: 0.488 local terms energy: -296.270813 where: bonds (distance) C4'-P energy: -60.674 bonds (distance) P-C4' energy: -56.070 flat angles C4'-P-C4' energy: -66.465 flat angles P-C4'-P energy: -33.027 tors. eta vs tors. theta energy: -80.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -906.413061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.413061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.413061 (E_RNA) where: Base-Base interactions energy: -611.782 where: short stacking energy: -275.278 Base-Backbone interact. energy: -0.136 local terms energy: -294.495532 where: bonds (distance) C4'-P energy: -51.119 bonds (distance) P-C4' energy: -57.663 flat angles C4'-P-C4' energy: -72.103 flat angles P-C4'-P energy: -37.836 tors. eta vs tors. theta energy: -75.774 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: 6 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -837.881022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.881022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.881022 (E_RNA) where: Base-Base interactions energy: -577.272 where: short stacking energy: -229.301 Base-Backbone interact. energy: -0.774 local terms energy: -259.835323 where: bonds (distance) C4'-P energy: -50.406 bonds (distance) P-C4' energy: -63.351 flat angles C4'-P-C4' energy: -56.898 flat angles P-C4'-P energy: -39.282 tors. eta vs tors. theta energy: -49.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -688.986697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.986697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.986697 (E_RNA) where: Base-Base interactions energy: -431.849 where: short stacking energy: -202.394 Base-Backbone interact. energy: 0.050 local terms energy: -257.187478 where: bonds (distance) C4'-P energy: -62.426 bonds (distance) P-C4' energy: -58.354 flat angles C4'-P-C4' energy: -57.430 flat angles P-C4'-P energy: -31.343 tors. eta vs tors. theta energy: -47.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -609.662883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.662883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.662883 (E_RNA) where: Base-Base interactions energy: -374.932 where: short stacking energy: -178.896 Base-Backbone interact. energy: -1.619 local terms energy: -233.111918 where: bonds (distance) C4'-P energy: -55.846 bonds (distance) P-C4' energy: -48.089 flat angles C4'-P-C4' energy: -55.111 flat angles P-C4'-P energy: -35.927 tors. eta vs tors. theta energy: -38.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -285.102888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.102888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.102888 (E_RNA) where: Base-Base interactions energy: -111.126 where: short stacking energy: -93.452 Base-Backbone interact. energy: -0.657 local terms energy: -173.320106 where: bonds (distance) C4'-P energy: -58.607 bonds (distance) P-C4' energy: -58.968 flat angles C4'-P-C4' energy: -39.363 flat angles P-C4'-P energy: -22.404 tors. eta vs tors. theta energy: 6.022 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: 8 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1179.583948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.583948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.583948 (E_RNA) where: Base-Base interactions energy: -821.955 where: short stacking energy: -349.394 Base-Backbone interact. energy: -1.760 local terms energy: -355.869136 where: bonds (distance) C4'-P energy: -67.657 bonds (distance) P-C4' energy: -67.788 flat angles C4'-P-C4' energy: -69.350 flat angles P-C4'-P energy: -53.587 tors. eta vs tors. theta energy: -97.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1127.873859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.873859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.873859 (E_RNA) where: Base-Base interactions energy: -782.957 where: short stacking energy: -311.451 Base-Backbone interact. energy: -2.497 local terms energy: -342.419548 where: bonds (distance) C4'-P energy: -66.469 bonds (distance) P-C4' energy: -64.197 flat angles C4'-P-C4' energy: -75.519 flat angles P-C4'-P energy: -44.672 tors. eta vs tors. theta energy: -91.563 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: 3, replica: 1 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1084.003905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.003905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.003905 (E_RNA) where: Base-Base interactions energy: -726.532 where: short stacking energy: -300.935 Base-Backbone interact. energy: 0.073 local terms energy: -357.544911 where: bonds (distance) C4'-P energy: -73.120 bonds (distance) P-C4' energy: -71.443 flat angles C4'-P-C4' energy: -70.892 flat angles P-C4'-P energy: -49.892 tors. eta vs tors. theta energy: -92.197 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: 10 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1050.954307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.954307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.954307 (E_RNA) where: Base-Base interactions energy: -745.272 where: short stacking energy: -300.402 Base-Backbone interact. energy: -1.019 local terms energy: -304.663734 where: bonds (distance) C4'-P energy: -52.505 bonds (distance) P-C4' energy: -56.773 flat angles C4'-P-C4' energy: -62.959 flat angles P-C4'-P energy: -44.796 tors. eta vs tors. theta energy: -87.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -928.438858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.438858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.438858 (E_RNA) where: Base-Base interactions energy: -633.073 where: short stacking energy: -273.197 Base-Backbone interact. energy: -1.957 local terms energy: -293.408533 where: bonds (distance) C4'-P energy: -53.323 bonds (distance) P-C4' energy: -63.626 flat angles C4'-P-C4' energy: -64.512 flat angles P-C4'-P energy: -48.865 tors. eta vs tors. theta energy: -63.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -937.914045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.914045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.914045 (E_RNA) where: Base-Base interactions energy: -646.920 where: short stacking energy: -288.534 Base-Backbone interact. energy: -2.871 local terms energy: -288.123343 where: bonds (distance) C4'-P energy: -56.545 bonds (distance) P-C4' energy: -48.941 flat angles C4'-P-C4' energy: -61.002 flat angles P-C4'-P energy: -41.115 tors. eta vs tors. theta energy: -80.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -829.253764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.253764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.253764 (E_RNA) where: Base-Base interactions energy: -581.208 where: short stacking energy: -240.767 Base-Backbone interact. energy: -1.901 local terms energy: -246.144210 where: bonds (distance) C4'-P energy: -45.764 bonds (distance) P-C4' energy: -50.537 flat angles C4'-P-C4' energy: -60.102 flat angles P-C4'-P energy: -37.784 tors. eta vs tors. theta energy: -51.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -716.763659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.763659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.763659 (E_RNA) where: Base-Base interactions energy: -468.419 where: short stacking energy: -216.954 Base-Backbone interact. energy: 2.074 local terms energy: -250.418470 where: bonds (distance) C4'-P energy: -54.045 bonds (distance) P-C4' energy: -59.966 flat angles C4'-P-C4' energy: -50.224 flat angles P-C4'-P energy: -35.905 tors. eta vs tors. theta energy: -50.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -589.152115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.152115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.152115 (E_RNA) where: Base-Base interactions energy: -359.660 where: short stacking energy: -160.188 Base-Backbone interact. energy: -1.543 local terms energy: -227.948848 where: bonds (distance) C4'-P energy: -45.994 bonds (distance) P-C4' energy: -58.636 flat angles C4'-P-C4' energy: -57.028 flat angles P-C4'-P energy: -38.279 tors. eta vs tors. theta energy: -28.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -286.776678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.776678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.776678 (E_RNA) where: Base-Base interactions energy: -108.547 where: short stacking energy: -95.837 Base-Backbone interact. energy: -1.652 local terms energy: -176.577626 where: bonds (distance) C4'-P energy: -57.547 bonds (distance) P-C4' energy: -41.688 flat angles C4'-P-C4' energy: -60.134 flat angles P-C4'-P energy: -16.503 tors. eta vs tors. theta energy: -0.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1199.968250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.968250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.968250 (E_RNA) where: Base-Base interactions energy: -842.947 where: short stacking energy: -350.394 Base-Backbone interact. energy: -1.899 local terms energy: -355.122150 where: bonds (distance) C4'-P energy: -59.206 bonds (distance) P-C4' energy: -66.128 flat angles C4'-P-C4' energy: -72.646 flat angles P-C4'-P energy: -53.254 tors. eta vs tors. theta energy: -103.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1115.381684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.381684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.381684 (E_RNA) where: Base-Base interactions energy: -775.976 where: short stacking energy: -324.232 Base-Backbone interact. energy: -0.746 local terms energy: -338.659822 where: bonds (distance) C4'-P energy: -57.285 bonds (distance) P-C4' energy: -57.721 flat angles C4'-P-C4' energy: -73.835 flat angles P-C4'-P energy: -54.838 tors. eta vs tors. theta energy: -94.980 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: 1 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1106.781854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.781854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.781854 (E_RNA) where: Base-Base interactions energy: -765.008 where: short stacking energy: -311.896 Base-Backbone interact. energy: -1.792 local terms energy: -339.982488 where: bonds (distance) C4'-P energy: -61.901 bonds (distance) P-C4' energy: -68.149 flat angles C4'-P-C4' energy: -68.679 flat angles P-C4'-P energy: -50.286 tors. eta vs tors. theta energy: -90.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1056.609654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.609654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.609654 (E_RNA) where: Base-Base interactions energy: -750.068 where: short stacking energy: -285.650 Base-Backbone interact. energy: -1.284 local terms energy: -305.257170 where: bonds (distance) C4'-P energy: -43.002 bonds (distance) P-C4' energy: -63.639 flat angles C4'-P-C4' energy: -68.828 flat angles P-C4'-P energy: -53.443 tors. eta vs tors. theta energy: -76.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -980.546663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.546663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.546663 (E_RNA) where: Base-Base interactions energy: -672.110 where: short stacking energy: -289.115 Base-Backbone interact. energy: -0.153 local terms energy: -308.284031 where: bonds (distance) C4'-P energy: -73.928 bonds (distance) P-C4' energy: -61.150 flat angles C4'-P-C4' energy: -60.117 flat angles P-C4'-P energy: -36.614 tors. eta vs tors. theta energy: -76.476 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: 3 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -914.636421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.636421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.636421 (E_RNA) where: Base-Base interactions energy: -621.975 where: short stacking energy: -274.378 Base-Backbone interact. energy: -0.103 local terms energy: -292.558582 where: bonds (distance) C4'-P energy: -59.324 bonds (distance) P-C4' energy: -56.603 flat angles C4'-P-C4' energy: -60.541 flat angles P-C4'-P energy: -37.050 tors. eta vs tors. theta energy: -79.040 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: 6 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -814.175344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.175344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.175344 (E_RNA) where: Base-Base interactions energy: -570.585 where: short stacking energy: -224.303 Base-Backbone interact. energy: 1.521 local terms energy: -245.110714 where: bonds (distance) C4'-P energy: -43.465 bonds (distance) P-C4' energy: -53.330 flat angles C4'-P-C4' energy: -49.355 flat angles P-C4'-P energy: -49.603 tors. eta vs tors. theta energy: -49.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -691.162067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.162067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.162067 (E_RNA) where: Base-Base interactions energy: -454.050 where: short stacking energy: -218.573 Base-Backbone interact. energy: 2.918 local terms energy: -240.029444 where: bonds (distance) C4'-P energy: -45.300 bonds (distance) P-C4' energy: -61.848 flat angles C4'-P-C4' energy: -45.373 flat angles P-C4'-P energy: -41.783 tors. eta vs tors. theta energy: -45.727 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: 5 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -556.164228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.164228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.164228 (E_RNA) where: Base-Base interactions energy: -337.536 where: short stacking energy: -148.453 Base-Backbone interact. energy: -0.853 local terms energy: -217.775272 where: bonds (distance) C4'-P energy: -54.582 bonds (distance) P-C4' energy: -56.550 flat angles C4'-P-C4' energy: -60.821 flat angles P-C4'-P energy: -24.839 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: 10, replica: 7 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -280.250233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.250233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.250233 (E_RNA) where: Base-Base interactions energy: -98.071 where: short stacking energy: -92.660 Base-Backbone interact. energy: 1.927 local terms energy: -184.105788 where: bonds (distance) C4'-P energy: -36.654 bonds (distance) P-C4' energy: -63.035 flat angles C4'-P-C4' energy: -56.983 flat angles P-C4'-P energy: -32.729 tors. eta vs tors. theta energy: 5.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1187.349050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.349050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.349050 (E_RNA) where: Base-Base interactions energy: -824.680 where: short stacking energy: -356.038 Base-Backbone interact. energy: -2.651 local terms energy: -360.018459 where: bonds (distance) C4'-P energy: -62.120 bonds (distance) P-C4' energy: -68.552 flat angles C4'-P-C4' energy: -73.887 flat angles P-C4'-P energy: -48.566 tors. eta vs tors. theta energy: -106.893 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: 9 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1131.633107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.633107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.633107 (E_RNA) where: Base-Base interactions energy: -767.418 where: short stacking energy: -323.146 Base-Backbone interact. energy: -2.078 local terms energy: -362.136617 where: bonds (distance) C4'-P energy: -63.647 bonds (distance) P-C4' energy: -71.636 flat angles C4'-P-C4' energy: -76.676 flat angles P-C4'-P energy: -59.131 tors. eta vs tors. theta energy: -91.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1092.217283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.217283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.217283 (E_RNA) where: Base-Base interactions energy: -769.041 where: short stacking energy: -317.360 Base-Backbone interact. energy: 0.333 local terms energy: -323.509512 where: bonds (distance) C4'-P energy: -58.421 bonds (distance) P-C4' energy: -60.094 flat angles C4'-P-C4' energy: -67.878 flat angles P-C4'-P energy: -43.033 tors. eta vs tors. theta energy: -94.084 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: 10 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1088.319109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.319109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.319109 (E_RNA) where: Base-Base interactions energy: -763.161 where: short stacking energy: -300.968 Base-Backbone interact. energy: -1.522 local terms energy: -323.636271 where: bonds (distance) C4'-P energy: -69.559 bonds (distance) P-C4' energy: -55.803 flat angles C4'-P-C4' energy: -75.736 flat angles P-C4'-P energy: -37.849 tors. eta vs tors. theta energy: -84.689 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: 3 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -965.831931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.831931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.831931 (E_RNA) where: Base-Base interactions energy: -650.676 where: short stacking energy: -315.199 Base-Backbone interact. energy: 0.683 local terms energy: -315.838767 where: bonds (distance) C4'-P energy: -55.314 bonds (distance) P-C4' energy: -58.906 flat angles C4'-P-C4' energy: -65.075 flat angles P-C4'-P energy: -47.392 tors. eta vs tors. theta energy: -89.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -960.461391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.461391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.461391 (E_RNA) where: Base-Base interactions energy: -652.939 where: short stacking energy: -286.430 Base-Backbone interact. energy: -1.945 local terms energy: -305.577182 where: bonds (distance) C4'-P energy: -54.188 bonds (distance) P-C4' energy: -66.834 flat angles C4'-P-C4' energy: -67.584 flat angles P-C4'-P energy: -37.545 tors. eta vs tors. theta energy: -79.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -837.512580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.512580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.512580 (E_RNA) where: Base-Base interactions energy: -562.302 where: short stacking energy: -234.512 Base-Backbone interact. energy: -1.772 local terms energy: -273.438645 where: bonds (distance) C4'-P energy: -56.202 bonds (distance) P-C4' energy: -58.927 flat angles C4'-P-C4' energy: -64.343 flat angles P-C4'-P energy: -42.607 tors. eta vs tors. theta energy: -51.359 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: 2 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -693.071178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.071178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.071178 (E_RNA) where: Base-Base interactions energy: -444.608 where: short stacking energy: -192.388 Base-Backbone interact. energy: -2.088 local terms energy: -246.376013 where: bonds (distance) C4'-P energy: -51.450 bonds (distance) P-C4' energy: -58.586 flat angles C4'-P-C4' energy: -59.927 flat angles P-C4'-P energy: -29.490 tors. eta vs tors. theta energy: -46.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -540.933447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.933447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.933447 (E_RNA) where: Base-Base interactions energy: -305.335 where: short stacking energy: -148.881 Base-Backbone interact. energy: 0.548 local terms energy: -236.145759 where: bonds (distance) C4'-P energy: -64.486 bonds (distance) P-C4' energy: -56.930 flat angles C4'-P-C4' energy: -53.693 flat angles P-C4'-P energy: -35.500 tors. eta vs tors. theta energy: -25.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -283.834883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.834883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.834883 (E_RNA) where: Base-Base interactions energy: -81.252 where: short stacking energy: -70.541 Base-Backbone interact. energy: -1.348 local terms energy: -201.235075 where: bonds (distance) C4'-P energy: -59.945 bonds (distance) P-C4' energy: -58.592 flat angles C4'-P-C4' energy: -48.537 flat angles P-C4'-P energy: -36.641 tors. eta vs tors. theta energy: 2.480 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: 8 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1171.823090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.823090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.823090 (E_RNA) where: Base-Base interactions energy: -806.039 where: short stacking energy: -342.707 Base-Backbone interact. energy: -3.875 local terms energy: -361.909131 where: bonds (distance) C4'-P energy: -66.436 bonds (distance) P-C4' energy: -52.729 flat angles C4'-P-C4' energy: -75.831 flat angles P-C4'-P energy: -59.767 tors. eta vs tors. theta energy: -107.145 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: 2, replica: 9 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1119.754207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.754207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.754207 (E_RNA) where: Base-Base interactions energy: -793.882 where: short stacking energy: -318.474 Base-Backbone interact. energy: 0.272 local terms energy: -326.143611 where: bonds (distance) C4'-P energy: -66.021 bonds (distance) P-C4' energy: -50.244 flat angles C4'-P-C4' energy: -74.723 flat angles P-C4'-P energy: -45.355 tors. eta vs tors. theta energy: -89.801 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: 1 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1093.876612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.876612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.876612 (E_RNA) where: Base-Base interactions energy: -772.802 where: short stacking energy: -322.696 Base-Backbone interact. energy: 1.972 local terms energy: -323.046523 where: bonds (distance) C4'-P energy: -66.239 bonds (distance) P-C4' energy: -55.534 flat angles C4'-P-C4' energy: -67.329 flat angles P-C4'-P energy: -46.619 tors. eta vs tors. theta energy: -87.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1070.195904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.195904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.195904 (E_RNA) where: Base-Base interactions energy: -752.951 where: short stacking energy: -294.860 Base-Backbone interact. energy: -1.262 local terms energy: -315.983092 where: bonds (distance) C4'-P energy: -63.194 bonds (distance) P-C4' energy: -51.775 flat angles C4'-P-C4' energy: -67.305 flat angles P-C4'-P energy: -45.988 tors. eta vs tors. theta energy: -87.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -983.907220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.907220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.907220 (E_RNA) where: Base-Base interactions energy: -669.854 where: short stacking energy: -305.053 Base-Backbone interact. energy: 0.681 local terms energy: -314.734041 where: bonds (distance) C4'-P energy: -49.247 bonds (distance) P-C4' energy: -60.692 flat angles C4'-P-C4' energy: -68.603 flat angles P-C4'-P energy: -43.837 tors. eta vs tors. theta energy: -92.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -921.461835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.461835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.461835 (E_RNA) where: Base-Base interactions energy: -622.929 where: short stacking energy: -261.793 Base-Backbone interact. energy: 4.673 local terms energy: -303.205554 where: bonds (distance) C4'-P energy: -69.743 bonds (distance) P-C4' energy: -59.727 flat angles C4'-P-C4' energy: -57.371 flat angles P-C4'-P energy: -42.745 tors. eta vs tors. theta energy: -73.619 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: 6 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -820.634971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.634971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.634971 (E_RNA) where: Base-Base interactions energy: -562.427 where: short stacking energy: -216.607 Base-Backbone interact. energy: 0.884 local terms energy: -259.091745 where: bonds (distance) C4'-P energy: -55.198 bonds (distance) P-C4' energy: -50.452 flat angles C4'-P-C4' energy: -62.937 flat angles P-C4'-P energy: -45.720 tors. eta vs tors. theta energy: -44.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -710.840708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.840708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.840708 (E_RNA) where: Base-Base interactions energy: -454.038 where: short stacking energy: -210.083 Base-Backbone interact. energy: -0.529 local terms energy: -256.274154 where: bonds (distance) C4'-P energy: -54.750 bonds (distance) P-C4' energy: -53.465 flat angles C4'-P-C4' energy: -66.259 flat angles P-C4'-P energy: -31.643 tors. eta vs tors. theta energy: -50.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -558.904492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.904492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.904492 (E_RNA) where: Base-Base interactions energy: -357.481 where: short stacking energy: -146.036 Base-Backbone interact. energy: -0.445 local terms energy: -200.978512 where: bonds (distance) C4'-P energy: -45.525 bonds (distance) P-C4' energy: -53.043 flat angles C4'-P-C4' energy: -42.153 flat angles P-C4'-P energy: -40.477 tors. eta vs tors. theta energy: -19.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -284.052040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.052040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.052040 (E_RNA) where: Base-Base interactions energy: -94.322 where: short stacking energy: -82.975 Base-Backbone interact. energy: 0.021 local terms energy: -189.750756 where: bonds (distance) C4'-P energy: -59.151 bonds (distance) P-C4' energy: -57.462 flat angles C4'-P-C4' energy: -34.575 flat angles P-C4'-P energy: -43.244 tors. eta vs tors. theta energy: 4.681 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: 8 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1192.429690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.429690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.429690 (E_RNA) where: Base-Base interactions energy: -825.878 where: short stacking energy: -356.883 Base-Backbone interact. energy: -2.494 local terms energy: -364.057187 where: bonds (distance) C4'-P energy: -71.438 bonds (distance) P-C4' energy: -64.527 flat angles C4'-P-C4' energy: -69.735 flat angles P-C4'-P energy: -53.342 tors. eta vs tors. theta energy: -105.016 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: 9 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1152.266016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.266016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.266016 (E_RNA) where: Base-Base interactions energy: -797.017 where: short stacking energy: -338.549 Base-Backbone interact. energy: -1.507 local terms energy: -353.742080 where: bonds (distance) C4'-P energy: -69.808 bonds (distance) P-C4' energy: -63.810 flat angles C4'-P-C4' energy: -74.229 flat angles P-C4'-P energy: -51.048 tors. eta vs tors. theta energy: -94.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1083.031656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.031656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.031656 (E_RNA) where: Base-Base interactions energy: -758.639 where: short stacking energy: -315.050 Base-Backbone interact. energy: 0.817 local terms energy: -325.209245 where: bonds (distance) C4'-P energy: -66.889 bonds (distance) P-C4' energy: -64.786 flat angles C4'-P-C4' energy: -70.509 flat angles P-C4'-P energy: -36.329 tors. eta vs tors. theta energy: -86.696 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: 10 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1046.304386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.304386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.304386 (E_RNA) where: Base-Base interactions energy: -726.841 where: short stacking energy: -291.918 Base-Backbone interact. energy: -0.713 local terms energy: -318.751108 where: bonds (distance) C4'-P energy: -57.559 bonds (distance) P-C4' energy: -66.196 flat angles C4'-P-C4' energy: -61.507 flat angles P-C4'-P energy: -45.706 tors. eta vs tors. theta energy: -87.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1011.043668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.043668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.043668 (E_RNA) where: Base-Base interactions energy: -688.493 where: short stacking energy: -322.000 Base-Backbone interact. energy: -1.662 local terms energy: -320.888380 where: bonds (distance) C4'-P energy: -57.746 bonds (distance) P-C4' energy: -51.300 flat angles C4'-P-C4' energy: -70.954 flat angles P-C4'-P energy: -53.455 tors. eta vs tors. theta energy: -87.434 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: 6, replica: 4 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -933.176882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.176882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.176882 (E_RNA) where: Base-Base interactions energy: -615.206 where: short stacking energy: -262.241 Base-Backbone interact. energy: -0.884 local terms energy: -317.087358 where: bonds (distance) C4'-P energy: -62.343 bonds (distance) P-C4' energy: -65.273 flat angles C4'-P-C4' energy: -67.778 flat angles P-C4'-P energy: -45.831 tors. eta vs tors. theta energy: -75.863 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: 6 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -833.808521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.808521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.808521 (E_RNA) where: Base-Base interactions energy: -561.286 where: short stacking energy: -240.590 Base-Backbone interact. energy: 1.344 local terms energy: -273.866923 where: bonds (distance) C4'-P energy: -49.387 bonds (distance) P-C4' energy: -64.069 flat angles C4'-P-C4' energy: -58.362 flat angles P-C4'-P energy: -37.591 tors. eta vs tors. theta energy: -64.458 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: 2 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -687.698641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.698641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.698641 (E_RNA) where: Base-Base interactions energy: -430.974 where: short stacking energy: -215.137 Base-Backbone interact. energy: -0.863 local terms energy: -255.861464 where: bonds (distance) C4'-P energy: -65.054 bonds (distance) P-C4' energy: -45.792 flat angles C4'-P-C4' energy: -59.184 flat angles P-C4'-P energy: -37.799 tors. eta vs tors. theta energy: -48.033 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: 5 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -513.066203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.066203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.066203 (E_RNA) where: Base-Base interactions energy: -315.760 where: short stacking energy: -147.141 Base-Backbone interact. energy: -0.575 local terms energy: -196.730501 where: bonds (distance) C4'-P energy: -52.073 bonds (distance) P-C4' energy: -46.605 flat angles C4'-P-C4' energy: -56.132 flat angles P-C4'-P energy: -27.095 tors. eta vs tors. theta energy: -14.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -287.125235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.125235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.125235 (E_RNA) where: Base-Base interactions energy: -107.497 where: short stacking energy: -79.965 Base-Backbone interact. energy: 0.788 local terms energy: -180.415745 where: bonds (distance) C4'-P energy: -51.395 bonds (distance) P-C4' energy: -56.652 flat angles C4'-P-C4' energy: -39.656 flat angles P-C4'-P energy: -37.138 tors. eta vs tors. theta energy: 4.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1199.676569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.676569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.676569 (E_RNA) where: Base-Base interactions energy: -832.124 where: short stacking energy: -352.848 Base-Backbone interact. energy: -3.022 local terms energy: -364.529958 where: bonds (distance) C4'-P energy: -64.256 bonds (distance) P-C4' energy: -69.162 flat angles C4'-P-C4' energy: -72.116 flat angles P-C4'-P energy: -53.756 tors. eta vs tors. theta energy: -105.240 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: 9 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1145.123931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.123931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.123931 (E_RNA) where: Base-Base interactions energy: -786.449 where: short stacking energy: -332.207 Base-Backbone interact. energy: -2.107 local terms energy: -356.567844 where: bonds (distance) C4'-P energy: -63.127 bonds (distance) P-C4' energy: -68.551 flat angles C4'-P-C4' energy: -72.955 flat angles P-C4'-P energy: -55.835 tors. eta vs tors. theta energy: -96.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1076.177933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.177933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.177933 (E_RNA) where: Base-Base interactions energy: -754.908 where: short stacking energy: -304.965 Base-Backbone interact. energy: -1.699 local terms energy: -319.570877 where: bonds (distance) C4'-P energy: -58.618 bonds (distance) P-C4' energy: -62.027 flat angles C4'-P-C4' energy: -71.915 flat angles P-C4'-P energy: -46.481 tors. eta vs tors. theta energy: -80.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1021.755768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.755768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.755768 (E_RNA) where: Base-Base interactions energy: -716.420 where: short stacking energy: -301.696 Base-Backbone interact. energy: -0.579 local terms energy: -304.756306 where: bonds (distance) C4'-P energy: -62.251 bonds (distance) P-C4' energy: -51.744 flat angles C4'-P-C4' energy: -69.124 flat angles P-C4'-P energy: -39.550 tors. eta vs tors. theta energy: -82.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -969.998823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.998823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.998823 (E_RNA) where: Base-Base interactions energy: -659.975 where: short stacking energy: -274.558 Base-Backbone interact. energy: -1.969 local terms energy: -308.055729 where: bonds (distance) C4'-P energy: -52.595 bonds (distance) P-C4' energy: -49.312 flat angles C4'-P-C4' energy: -73.404 flat angles P-C4'-P energy: -47.015 tors. eta vs tors. theta energy: -85.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -946.919173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.919173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.919173 (E_RNA) where: Base-Base interactions energy: -653.980 where: short stacking energy: -273.743 Base-Backbone interact. energy: -0.451 local terms energy: -292.488295 where: bonds (distance) C4'-P energy: -60.191 bonds (distance) P-C4' energy: -59.114 flat angles C4'-P-C4' energy: -67.079 flat angles P-C4'-P energy: -39.140 tors. eta vs tors. theta energy: -66.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -789.592721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.592721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.592721 (E_RNA) where: Base-Base interactions energy: -540.590 where: short stacking energy: -241.811 Base-Backbone interact. energy: -1.628 local terms energy: -247.374275 where: bonds (distance) C4'-P energy: -46.211 bonds (distance) P-C4' energy: -41.778 flat angles C4'-P-C4' energy: -58.118 flat angles P-C4'-P energy: -48.330 tors. eta vs tors. theta energy: -52.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -670.113998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.113998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.113998 (E_RNA) where: Base-Base interactions energy: -422.432 where: short stacking energy: -197.033 Base-Backbone interact. energy: -0.056 local terms energy: -247.625823 where: bonds (distance) C4'-P energy: -50.596 bonds (distance) P-C4' energy: -60.292 flat angles C4'-P-C4' energy: -65.442 flat angles P-C4'-P energy: -33.479 tors. eta vs tors. theta energy: -37.816 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: 5 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -536.483359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.483359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.483359 (E_RNA) where: Base-Base interactions energy: -329.956 where: short stacking energy: -164.381 Base-Backbone interact. energy: 3.750 local terms energy: -210.276982 where: bonds (distance) C4'-P energy: -60.770 bonds (distance) P-C4' energy: -53.362 flat angles C4'-P-C4' energy: -47.627 flat angles P-C4'-P energy: -26.239 tors. eta vs tors. theta energy: -22.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -270.725507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.725507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.725507 (E_RNA) where: Base-Base interactions energy: -82.879 where: short stacking energy: -72.479 Base-Backbone interact. energy: 1.127 local terms energy: -188.973601 where: bonds (distance) C4'-P energy: -46.633 bonds (distance) P-C4' energy: -61.321 flat angles C4'-P-C4' energy: -49.881 flat angles P-C4'-P energy: -29.574 tors. eta vs tors. theta energy: -1.564 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: 470 Temperature: 0.900000 Total energy: -1178.335474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.335474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.335474 (E_RNA) where: Base-Base interactions energy: -808.896 where: short stacking energy: -341.355 Base-Backbone interact. energy: -2.148 local terms energy: -367.291854 where: bonds (distance) C4'-P energy: -64.507 bonds (distance) P-C4' energy: -66.814 flat angles C4'-P-C4' energy: -77.776 flat angles P-C4'-P energy: -55.921 tors. eta vs tors. theta energy: -102.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1176.609820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.609820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.609820 (E_RNA) where: Base-Base interactions energy: -800.803 where: short stacking energy: -342.246 Base-Backbone interact. energy: -2.205 local terms energy: -373.602270 where: bonds (distance) C4'-P energy: -60.566 bonds (distance) P-C4' energy: -70.275 flat angles C4'-P-C4' energy: -79.016 flat angles P-C4'-P energy: -58.450 tors. eta vs tors. theta energy: -105.295 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: 470 Temperature: 1.000000 Total energy: -1078.765771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.765771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.765771 (E_RNA) where: Base-Base interactions energy: -744.781 where: short stacking energy: -315.901 Base-Backbone interact. energy: -1.919 local terms energy: -332.066430 where: bonds (distance) C4'-P energy: -64.212 bonds (distance) P-C4' energy: -67.921 flat angles C4'-P-C4' energy: -73.479 flat angles P-C4'-P energy: -45.230 tors. eta vs tors. theta energy: -81.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1024.290141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.290141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.290141 (E_RNA) where: Base-Base interactions energy: -694.255 where: short stacking energy: -287.672 Base-Backbone interact. energy: 0.742 local terms energy: -330.776924 where: bonds (distance) C4'-P energy: -60.660 bonds (distance) P-C4' energy: -62.427 flat angles C4'-P-C4' energy: -60.031 flat angles P-C4'-P energy: -56.296 tors. eta vs tors. theta energy: -91.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -952.159795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.159795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.159795 (E_RNA) where: Base-Base interactions energy: -661.060 where: short stacking energy: -279.208 Base-Backbone interact. energy: 0.220 local terms energy: -291.319883 where: bonds (distance) C4'-P energy: -45.857 bonds (distance) P-C4' energy: -61.989 flat angles C4'-P-C4' energy: -64.210 flat angles P-C4'-P energy: -39.482 tors. eta vs tors. theta energy: -79.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -938.390267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.390267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.390267 (E_RNA) where: Base-Base interactions energy: -658.418 where: short stacking energy: -292.307 Base-Backbone interact. energy: -2.686 local terms energy: -277.286284 where: bonds (distance) C4'-P energy: -50.895 bonds (distance) P-C4' energy: -35.470 flat angles C4'-P-C4' energy: -66.548 flat angles P-C4'-P energy: -46.413 tors. eta vs tors. theta energy: -77.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -735.773714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.773714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.773714 (E_RNA) where: Base-Base interactions energy: -452.525 where: short stacking energy: -215.183 Base-Backbone interact. energy: 2.127 local terms energy: -285.376219 where: bonds (distance) C4'-P energy: -61.665 bonds (distance) P-C4' energy: -55.906 flat angles C4'-P-C4' energy: -64.280 flat angles P-C4'-P energy: -47.709 tors. eta vs tors. theta energy: -55.815 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: 6 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -737.957822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.957822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.957822 (E_RNA) where: Base-Base interactions energy: -496.745 where: short stacking energy: -204.862 Base-Backbone interact. energy: -0.202 local terms energy: -241.011124 where: bonds (distance) C4'-P energy: -48.293 bonds (distance) P-C4' energy: -61.674 flat angles C4'-P-C4' energy: -58.531 flat angles P-C4'-P energy: -28.457 tors. eta vs tors. theta energy: -44.056 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: 5 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -564.734514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.734514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.734514 (E_RNA) where: Base-Base interactions energy: -341.457 where: short stacking energy: -144.675 Base-Backbone interact. energy: -2.722 local terms energy: -220.555467 where: bonds (distance) C4'-P energy: -52.132 bonds (distance) P-C4' energy: -50.882 flat angles C4'-P-C4' energy: -48.726 flat angles P-C4'-P energy: -42.127 tors. eta vs tors. theta energy: -26.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -263.243347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.243347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.243347 (E_RNA) where: Base-Base interactions energy: -93.835 where: short stacking energy: -85.353 Base-Backbone interact. energy: -3.477 local terms energy: -165.931820 where: bonds (distance) C4'-P energy: -55.116 bonds (distance) P-C4' energy: -49.231 flat angles C4'-P-C4' energy: -56.136 flat angles P-C4'-P energy: -31.203 tors. eta vs tors. theta energy: 25.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1172.651108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.651108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.651108 (E_RNA) where: Base-Base interactions energy: -819.483 where: short stacking energy: -349.225 Base-Backbone interact. energy: -0.591 local terms energy: -352.577246 where: bonds (distance) C4'-P energy: -62.902 bonds (distance) P-C4' energy: -61.740 flat angles C4'-P-C4' energy: -76.401 flat angles P-C4'-P energy: -48.969 tors. eta vs tors. theta energy: -102.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1169.857162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.857162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.857162 (E_RNA) where: Base-Base interactions energy: -820.615 where: short stacking energy: -342.826 Base-Backbone interact. energy: -1.629 local terms energy: -347.613129 where: bonds (distance) C4'-P energy: -57.319 bonds (distance) P-C4' energy: -61.350 flat angles C4'-P-C4' energy: -72.331 flat angles P-C4'-P energy: -59.471 tors. eta vs tors. theta energy: -97.141 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: 1 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1099.397587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.397587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.397587 (E_RNA) where: Base-Base interactions energy: -764.196 where: short stacking energy: -320.846 Base-Backbone interact. energy: -0.830 local terms energy: -334.372282 where: bonds (distance) C4'-P energy: -65.243 bonds (distance) P-C4' energy: -61.018 flat angles C4'-P-C4' energy: -76.105 flat angles P-C4'-P energy: -39.387 tors. eta vs tors. theta energy: -92.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -998.965083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.965083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.965083 (E_RNA) where: Base-Base interactions energy: -687.667 where: short stacking energy: -286.171 Base-Backbone interact. energy: -1.078 local terms energy: -310.220218 where: bonds (distance) C4'-P energy: -63.205 bonds (distance) P-C4' energy: -59.052 flat angles C4'-P-C4' energy: -69.855 flat angles P-C4'-P energy: -42.520 tors. eta vs tors. theta energy: -75.589 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: 10 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1035.418630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.418630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.418630 (E_RNA) where: Base-Base interactions energy: -723.373 where: short stacking energy: -298.836 Base-Backbone interact. energy: -1.658 local terms energy: -310.387187 where: bonds (distance) C4'-P energy: -52.583 bonds (distance) P-C4' energy: -56.204 flat angles C4'-P-C4' energy: -69.404 flat angles P-C4'-P energy: -40.874 tors. eta vs tors. theta energy: -91.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -925.486489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.486489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.486489 (E_RNA) where: Base-Base interactions energy: -625.030 where: short stacking energy: -306.196 Base-Backbone interact. energy: -1.647 local terms energy: -298.809236 where: bonds (distance) C4'-P energy: -43.723 bonds (distance) P-C4' energy: -54.624 flat angles C4'-P-C4' energy: -64.354 flat angles P-C4'-P energy: -48.225 tors. eta vs tors. theta energy: -87.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -739.161854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.161854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.161854 (E_RNA) where: Base-Base interactions energy: -465.564 where: short stacking energy: -208.743 Base-Backbone interact. energy: -1.229 local terms energy: -272.369343 where: bonds (distance) C4'-P energy: -59.401 bonds (distance) P-C4' energy: -59.471 flat angles C4'-P-C4' energy: -65.209 flat angles P-C4'-P energy: -43.662 tors. eta vs tors. theta energy: -44.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -745.690305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.690305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.690305 (E_RNA) where: Base-Base interactions energy: -491.215 where: short stacking energy: -212.451 Base-Backbone interact. energy: -1.010 local terms energy: -253.465442 where: bonds (distance) C4'-P energy: -49.821 bonds (distance) P-C4' energy: -67.405 flat angles C4'-P-C4' energy: -57.874 flat angles P-C4'-P energy: -31.708 tors. eta vs tors. theta energy: -46.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -549.658909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.658909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.658909 (E_RNA) where: Base-Base interactions energy: -350.670 where: short stacking energy: -157.322 Base-Backbone interact. energy: -0.193 local terms energy: -198.795814 where: bonds (distance) C4'-P energy: -51.889 bonds (distance) P-C4' energy: -62.913 flat angles C4'-P-C4' energy: -41.679 flat angles P-C4'-P energy: -31.019 tors. eta vs tors. theta energy: -11.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -290.895552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.895552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.895552 (E_RNA) where: Base-Base interactions energy: -114.081 where: short stacking energy: -78.527 Base-Backbone interact. energy: -0.824 local terms energy: -175.991105 where: bonds (distance) C4'-P energy: -50.001 bonds (distance) P-C4' energy: -63.646 flat angles C4'-P-C4' energy: -57.219 flat angles P-C4'-P energy: -16.192 tors. eta vs tors. theta energy: 11.066 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: 8 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1183.542779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.542779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.542779 (E_RNA) where: Base-Base interactions energy: -838.495 where: short stacking energy: -341.716 Base-Backbone interact. energy: -2.889 local terms energy: -342.158173 where: bonds (distance) C4'-P energy: -62.315 bonds (distance) P-C4' energy: -63.810 flat angles C4'-P-C4' energy: -68.045 flat angles P-C4'-P energy: -51.459 tors. eta vs tors. theta energy: -96.529 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: 9 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1156.662718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.662718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.662718 (E_RNA) where: Base-Base interactions energy: -800.651 where: short stacking energy: -340.147 Base-Backbone interact. energy: -0.580 local terms energy: -355.432133 where: bonds (distance) C4'-P energy: -63.014 bonds (distance) P-C4' energy: -71.768 flat angles C4'-P-C4' energy: -65.435 flat angles P-C4'-P energy: -57.274 tors. eta vs tors. theta energy: -97.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1091.388820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.388820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.388820 (E_RNA) where: Base-Base interactions energy: -771.416 where: short stacking energy: -323.824 Base-Backbone interact. energy: 1.760 local terms energy: -321.733462 where: bonds (distance) C4'-P energy: -54.904 bonds (distance) P-C4' energy: -54.340 flat angles C4'-P-C4' energy: -68.894 flat angles P-C4'-P energy: -47.814 tors. eta vs tors. theta energy: -95.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1000.148692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.148692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.148692 (E_RNA) where: Base-Base interactions energy: -685.125 where: short stacking energy: -299.425 Base-Backbone interact. energy: 0.690 local terms energy: -315.713732 where: bonds (distance) C4'-P energy: -61.102 bonds (distance) P-C4' energy: -62.212 flat angles C4'-P-C4' energy: -73.705 flat angles P-C4'-P energy: -43.672 tors. eta vs tors. theta energy: -75.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1032.956711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.956711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.956711 (E_RNA) where: Base-Base interactions energy: -732.246 where: short stacking energy: -307.222 Base-Backbone interact. energy: -1.583 local terms energy: -299.128176 where: bonds (distance) C4'-P energy: -54.788 bonds (distance) P-C4' energy: -51.825 flat angles C4'-P-C4' energy: -73.238 flat angles P-C4'-P energy: -30.313 tors. eta vs tors. theta energy: -88.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -938.075960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.075960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.075960 (E_RNA) where: Base-Base interactions energy: -633.291 where: short stacking energy: -279.101 Base-Backbone interact. energy: -1.050 local terms energy: -303.734863 where: bonds (distance) C4'-P energy: -53.600 bonds (distance) P-C4' energy: -62.078 flat angles C4'-P-C4' energy: -62.363 flat angles P-C4'-P energy: -43.274 tors. eta vs tors. theta energy: -82.420 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: 472 Temperature: 1.200000 Total energy: -846.216955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.216955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.216955 (E_RNA) where: Base-Base interactions energy: -561.041 where: short stacking energy: -235.750 Base-Backbone interact. energy: -1.120 local terms energy: -284.056268 where: bonds (distance) C4'-P energy: -57.077 bonds (distance) P-C4' energy: -60.653 flat angles C4'-P-C4' energy: -63.549 flat angles P-C4'-P energy: -44.412 tors. eta vs tors. theta energy: -58.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -716.300480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.300480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.300480 (E_RNA) where: Base-Base interactions energy: -469.822 where: short stacking energy: -223.332 Base-Backbone interact. energy: 0.692 local terms energy: -247.170431 where: bonds (distance) C4'-P energy: -58.274 bonds (distance) P-C4' energy: -58.765 flat angles C4'-P-C4' energy: -56.490 flat angles P-C4'-P energy: -18.241 tors. eta vs tors. theta energy: -55.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -561.400900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.400900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.400900 (E_RNA) where: Base-Base interactions energy: -351.527 where: short stacking energy: -144.615 Base-Backbone interact. energy: -0.633 local terms energy: -209.240896 where: bonds (distance) C4'-P energy: -58.200 bonds (distance) P-C4' energy: -44.398 flat angles C4'-P-C4' energy: -51.686 flat angles P-C4'-P energy: -49.502 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: 10, replica: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -295.918694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.918694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.918694 (E_RNA) where: Base-Base interactions energy: -114.726 where: short stacking energy: -69.897 Base-Backbone interact. energy: 0.484 local terms energy: -181.675955 where: bonds (distance) C4'-P energy: -53.505 bonds (distance) P-C4' energy: -58.764 flat angles C4'-P-C4' energy: -59.239 flat angles P-C4'-P energy: -24.862 tors. eta vs tors. theta energy: 14.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1193.164367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.164367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.164367 (E_RNA) where: Base-Base interactions energy: -820.150 where: short stacking energy: -344.077 Base-Backbone interact. energy: -3.003 local terms energy: -370.011156 where: bonds (distance) C4'-P energy: -64.348 bonds (distance) P-C4' energy: -71.363 flat angles C4'-P-C4' energy: -78.231 flat angles P-C4'-P energy: -55.087 tors. eta vs tors. theta energy: -100.982 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: 2, replica: 1 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1115.070679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.070679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.070679 (E_RNA) where: Base-Base interactions energy: -781.217 where: short stacking energy: -309.888 Base-Backbone interact. energy: -3.523 local terms energy: -330.330693 where: bonds (distance) C4'-P energy: -53.192 bonds (distance) P-C4' energy: -69.308 flat angles C4'-P-C4' energy: -71.650 flat angles P-C4'-P energy: -44.362 tors. eta vs tors. theta energy: -91.819 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: 9 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1124.068462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.068462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.068462 (E_RNA) where: Base-Base interactions energy: -796.970 where: short stacking energy: -334.503 Base-Backbone interact. energy: -0.680 local terms energy: -326.418003 where: bonds (distance) C4'-P energy: -47.251 bonds (distance) P-C4' energy: -65.933 flat angles C4'-P-C4' energy: -71.121 flat angles P-C4'-P energy: -55.176 tors. eta vs tors. theta energy: -86.937 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: 4 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -993.944295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.944295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.944295 (E_RNA) where: Base-Base interactions energy: -695.127 where: short stacking energy: -288.471 Base-Backbone interact. energy: -0.530 local terms energy: -298.287807 where: bonds (distance) C4'-P energy: -54.898 bonds (distance) P-C4' energy: -65.265 flat angles C4'-P-C4' energy: -70.862 flat angles P-C4'-P energy: -32.463 tors. eta vs tors. theta energy: -74.800 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: 5, replica: 10 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1028.541763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.541763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.541763 (E_RNA) where: Base-Base interactions energy: -713.032 where: short stacking energy: -297.820 Base-Backbone interact. energy: 0.365 local terms energy: -315.873877 where: bonds (distance) C4'-P energy: -56.365 bonds (distance) P-C4' energy: -65.624 flat angles C4'-P-C4' energy: -66.735 flat angles P-C4'-P energy: -41.457 tors. eta vs tors. theta energy: -85.692 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: 3 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -917.683466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.683466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.683466 (E_RNA) where: Base-Base interactions energy: -629.569 where: short stacking energy: -276.857 Base-Backbone interact. energy: 0.189 local terms energy: -288.303403 where: bonds (distance) C4'-P energy: -65.300 bonds (distance) P-C4' energy: -47.067 flat angles C4'-P-C4' energy: -52.604 flat angles P-C4'-P energy: -37.779 tors. eta vs tors. theta energy: -85.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -862.034421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.034421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.034421 (E_RNA) where: Base-Base interactions energy: -580.770 where: short stacking energy: -244.210 Base-Backbone interact. energy: 0.218 local terms energy: -281.482508 where: bonds (distance) C4'-P energy: -47.807 bonds (distance) P-C4' energy: -60.852 flat angles C4'-P-C4' energy: -64.202 flat angles P-C4'-P energy: -44.291 tors. eta vs tors. theta energy: -64.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -704.339121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.339121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.339121 (E_RNA) where: Base-Base interactions energy: -467.175 where: short stacking energy: -217.084 Base-Backbone interact. energy: -0.605 local terms energy: -236.559237 where: bonds (distance) C4'-P energy: -48.784 bonds (distance) P-C4' energy: -54.290 flat angles C4'-P-C4' energy: -42.955 flat angles P-C4'-P energy: -36.099 tors. eta vs tors. theta energy: -54.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -567.872069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.872069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.872069 (E_RNA) where: Base-Base interactions energy: -365.245 where: short stacking energy: -164.244 Base-Backbone interact. energy: -1.030 local terms energy: -201.596913 where: bonds (distance) C4'-P energy: -49.060 bonds (distance) P-C4' energy: -55.849 flat angles C4'-P-C4' energy: -42.777 flat angles P-C4'-P energy: -35.513 tors. eta vs tors. theta energy: -18.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -278.812253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.812253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.812253 (E_RNA) where: Base-Base interactions energy: -106.340 where: short stacking energy: -87.574 Base-Backbone interact. energy: -0.072 local terms energy: -172.400328 where: bonds (distance) C4'-P energy: -51.658 bonds (distance) P-C4' energy: -54.496 flat angles C4'-P-C4' energy: -43.774 flat angles P-C4'-P energy: -22.181 tors. eta vs tors. theta energy: -0.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1202.416098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.416098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.416098 (E_RNA) where: Base-Base interactions energy: -838.468 where: short stacking energy: -353.581 Base-Backbone interact. energy: -0.608 local terms energy: -363.339976 where: bonds (distance) C4'-P energy: -62.240 bonds (distance) P-C4' energy: -66.973 flat angles C4'-P-C4' energy: -78.477 flat angles P-C4'-P energy: -51.941 tors. eta vs tors. theta energy: -103.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1110.341935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.341935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.341935 (E_RNA) where: Base-Base interactions energy: -757.972 where: short stacking energy: -313.022 Base-Backbone interact. energy: -0.664 local terms energy: -351.706134 where: bonds (distance) C4'-P energy: -64.420 bonds (distance) P-C4' energy: -69.111 flat angles C4'-P-C4' energy: -77.848 flat angles P-C4'-P energy: -48.284 tors. eta vs tors. theta energy: -92.044 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: 9 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1124.511224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.511224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.511224 (E_RNA) where: Base-Base interactions energy: -782.856 where: short stacking energy: -320.132 Base-Backbone interact. energy: -1.407 local terms energy: -340.247689 where: bonds (distance) C4'-P energy: -61.286 bonds (distance) P-C4' energy: -66.630 flat angles C4'-P-C4' energy: -62.941 flat angles P-C4'-P energy: -48.665 tors. eta vs tors. theta energy: -100.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -979.916854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.916854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.916854 (E_RNA) where: Base-Base interactions energy: -660.057 where: short stacking energy: -291.564 Base-Backbone interact. energy: -1.890 local terms energy: -317.970358 where: bonds (distance) C4'-P energy: -65.102 bonds (distance) P-C4' energy: -62.979 flat angles C4'-P-C4' energy: -71.339 flat angles P-C4'-P energy: -42.719 tors. eta vs tors. theta energy: -75.831 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: 5, replica: 10 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1028.390732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.390732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.390732 (E_RNA) where: Base-Base interactions energy: -699.370 where: short stacking energy: -306.623 Base-Backbone interact. energy: 1.878 local terms energy: -330.898587 where: bonds (distance) C4'-P energy: -55.917 bonds (distance) P-C4' energy: -66.277 flat angles C4'-P-C4' energy: -71.925 flat angles P-C4'-P energy: -41.796 tors. eta vs tors. theta energy: -94.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -943.350339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.350339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.350339 (E_RNA) where: Base-Base interactions energy: -625.734 where: short stacking energy: -291.619 Base-Backbone interact. energy: -1.592 local terms energy: -316.024515 where: bonds (distance) C4'-P energy: -57.690 bonds (distance) P-C4' energy: -62.055 flat angles C4'-P-C4' energy: -66.093 flat angles P-C4'-P energy: -44.678 tors. eta vs tors. theta energy: -85.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -877.707066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.707066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.707066 (E_RNA) where: Base-Base interactions energy: -617.475 where: short stacking energy: -243.206 Base-Backbone interact. energy: 3.077 local terms energy: -263.309147 where: bonds (distance) C4'-P energy: -54.298 bonds (distance) P-C4' energy: -52.598 flat angles C4'-P-C4' energy: -47.363 flat angles P-C4'-P energy: -46.608 tors. eta vs tors. theta energy: -62.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -700.701834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.701834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.701834 (E_RNA) where: Base-Base interactions energy: -458.074 where: short stacking energy: -210.246 Base-Backbone interact. energy: -1.047 local terms energy: -241.581543 where: bonds (distance) C4'-P energy: -47.848 bonds (distance) P-C4' energy: -59.482 flat angles C4'-P-C4' energy: -51.456 flat angles P-C4'-P energy: -35.818 tors. eta vs tors. theta energy: -46.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -584.366333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.366333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.366333 (E_RNA) where: Base-Base interactions energy: -382.563 where: short stacking energy: -183.267 Base-Backbone interact. energy: 0.288 local terms energy: -202.091704 where: bonds (distance) C4'-P energy: -49.049 bonds (distance) P-C4' energy: -54.190 flat angles C4'-P-C4' energy: -57.053 flat angles P-C4'-P energy: -22.895 tors. eta vs tors. theta energy: -18.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -268.649507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.649507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.649507 (E_RNA) where: Base-Base interactions energy: -110.185 where: short stacking energy: -102.211 Base-Backbone interact. energy: 4.936 local terms energy: -163.399760 where: bonds (distance) C4'-P energy: -46.635 bonds (distance) P-C4' energy: -51.450 flat angles C4'-P-C4' energy: -42.703 flat angles P-C4'-P energy: -29.463 tors. eta vs tors. theta energy: 6.850 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: 1, replica: 8 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1210.425376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.425376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.425376 (E_RNA) where: Base-Base interactions energy: -852.834 where: short stacking energy: -357.964 Base-Backbone interact. energy: -1.723 local terms energy: -355.868136 where: bonds (distance) C4'-P energy: -57.519 bonds (distance) P-C4' energy: -65.689 flat angles C4'-P-C4' energy: -78.868 flat angles P-C4'-P energy: -45.490 tors. eta vs tors. theta energy: -108.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1148.066669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.066669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.066669 (E_RNA) where: Base-Base interactions energy: -818.908 where: short stacking energy: -340.939 Base-Backbone interact. energy: -2.952 local terms energy: -326.206913 where: bonds (distance) C4'-P energy: -59.794 bonds (distance) P-C4' energy: -59.951 flat angles C4'-P-C4' energy: -65.972 flat angles P-C4'-P energy: -43.331 tors. eta vs tors. theta energy: -97.159 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: 1 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1083.035228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.035228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.035228 (E_RNA) where: Base-Base interactions energy: -769.402 where: short stacking energy: -297.431 Base-Backbone interact. energy: -0.024 local terms energy: -313.609175 where: bonds (distance) C4'-P energy: -57.632 bonds (distance) P-C4' energy: -59.864 flat angles C4'-P-C4' energy: -60.666 flat angles P-C4'-P energy: -44.294 tors. eta vs tors. theta energy: -91.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1037.960748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.960748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.960748 (E_RNA) where: Base-Base interactions energy: -724.311 where: short stacking energy: -291.722 Base-Backbone interact. energy: -1.587 local terms energy: -312.063316 where: bonds (distance) C4'-P energy: -52.641 bonds (distance) P-C4' energy: -64.208 flat angles C4'-P-C4' energy: -66.309 flat angles P-C4'-P energy: -40.429 tors. eta vs tors. theta energy: -88.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -961.883834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.883834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.883834 (E_RNA) where: Base-Base interactions energy: -646.624 where: short stacking energy: -279.499 Base-Backbone interact. energy: -1.189 local terms energy: -314.071151 where: bonds (distance) C4'-P energy: -63.181 bonds (distance) P-C4' energy: -70.914 flat angles C4'-P-C4' energy: -63.858 flat angles P-C4'-P energy: -39.747 tors. eta vs tors. theta energy: -76.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -907.872932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.872932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.872932 (E_RNA) where: Base-Base interactions energy: -613.697 where: short stacking energy: -257.867 Base-Backbone interact. energy: -1.046 local terms energy: -293.129183 where: bonds (distance) C4'-P energy: -41.647 bonds (distance) P-C4' energy: -68.098 flat angles C4'-P-C4' energy: -65.043 flat angles P-C4'-P energy: -40.002 tors. eta vs tors. theta energy: -78.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -905.543196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.543196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.543196 (E_RNA) where: Base-Base interactions energy: -625.998 where: short stacking energy: -254.421 Base-Backbone interact. energy: -0.623 local terms energy: -278.922426 where: bonds (distance) C4'-P energy: -59.362 bonds (distance) P-C4' energy: -57.716 flat angles C4'-P-C4' energy: -59.067 flat angles P-C4'-P energy: -29.141 tors. eta vs tors. theta energy: -73.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -688.000997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.000997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.000997 (E_RNA) where: Base-Base interactions energy: -431.767 where: short stacking energy: -198.677 Base-Backbone interact. energy: 4.971 local terms energy: -261.205109 where: bonds (distance) C4'-P energy: -65.542 bonds (distance) P-C4' energy: -54.114 flat angles C4'-P-C4' energy: -58.085 flat angles P-C4'-P energy: -32.511 tors. eta vs tors. theta energy: -50.953 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: 9, replica: 5 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -566.931811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.931811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.931811 (E_RNA) where: Base-Base interactions energy: -352.019 where: short stacking energy: -164.777 Base-Backbone interact. energy: -2.511 local terms energy: -212.401248 where: bonds (distance) C4'-P energy: -46.575 bonds (distance) P-C4' energy: -50.821 flat angles C4'-P-C4' energy: -54.266 flat angles P-C4'-P energy: -34.474 tors. eta vs tors. theta energy: -26.266 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: 7 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -277.017296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.017296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.017296 (E_RNA) where: Base-Base interactions energy: -109.082 where: short stacking energy: -91.323 Base-Backbone interact. energy: 0.981 local terms energy: -168.916111 where: bonds (distance) C4'-P energy: -53.419 bonds (distance) P-C4' energy: -52.684 flat angles C4'-P-C4' energy: -55.326 flat angles P-C4'-P energy: -21.018 tors. eta vs tors. theta energy: 13.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1194.887939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.887939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.887939 (E_RNA) where: Base-Base interactions energy: -831.740 where: short stacking energy: -335.945 Base-Backbone interact. energy: -4.288 local terms energy: -358.859253 where: bonds (distance) C4'-P energy: -63.128 bonds (distance) P-C4' energy: -67.153 flat angles C4'-P-C4' energy: -74.750 flat angles P-C4'-P energy: -48.758 tors. eta vs tors. theta energy: -105.070 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: 2, replica: 9 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1128.993020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.993020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.993020 (E_RNA) where: Base-Base interactions energy: -795.250 where: short stacking energy: -329.950 Base-Backbone interact. energy: -1.521 local terms energy: -332.221901 where: bonds (distance) C4'-P energy: -54.378 bonds (distance) P-C4' energy: -52.380 flat angles C4'-P-C4' energy: -75.057 flat angles P-C4'-P energy: -53.190 tors. eta vs tors. theta energy: -97.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1071.220183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.220183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.220183 (E_RNA) where: Base-Base interactions energy: -747.907 where: short stacking energy: -309.384 Base-Backbone interact. energy: -0.886 local terms energy: -322.427224 where: bonds (distance) C4'-P energy: -60.176 bonds (distance) P-C4' energy: -58.653 flat angles C4'-P-C4' energy: -66.186 flat angles P-C4'-P energy: -40.396 tors. eta vs tors. theta energy: -97.017 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: 4, replica: 10 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1042.289437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.289437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.289437 (E_RNA) where: Base-Base interactions energy: -711.964 where: short stacking energy: -292.172 Base-Backbone interact. energy: 1.530 local terms energy: -331.855745 where: bonds (distance) C4'-P energy: -53.545 bonds (distance) P-C4' energy: -68.953 flat angles C4'-P-C4' energy: -74.482 flat angles P-C4'-P energy: -53.175 tors. eta vs tors. theta energy: -81.702 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: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -949.253798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.253798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.253798 (E_RNA) where: Base-Base interactions energy: -646.473 where: short stacking energy: -282.837 Base-Backbone interact. energy: 0.275 local terms energy: -303.056185 where: bonds (distance) C4'-P energy: -60.255 bonds (distance) P-C4' energy: -53.760 flat angles C4'-P-C4' energy: -65.699 flat angles P-C4'-P energy: -42.179 tors. eta vs tors. theta energy: -81.162 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: 4 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -920.969878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.969878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.969878 (E_RNA) where: Base-Base interactions energy: -627.327 where: short stacking energy: -265.137 Base-Backbone interact. energy: -0.683 local terms energy: -292.959697 where: bonds (distance) C4'-P energy: -52.319 bonds (distance) P-C4' energy: -55.365 flat angles C4'-P-C4' energy: -72.763 flat angles P-C4'-P energy: -35.589 tors. eta vs tors. theta energy: -76.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -881.836634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.836634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.836634 (E_RNA) where: Base-Base interactions energy: -619.623 where: short stacking energy: -266.748 Base-Backbone interact. energy: -0.240 local terms energy: -261.973204 where: bonds (distance) C4'-P energy: -56.504 bonds (distance) P-C4' energy: -56.718 flat angles C4'-P-C4' energy: -52.758 flat angles P-C4'-P energy: -25.114 tors. eta vs tors. theta energy: -70.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -681.118873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.118873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.118873 (E_RNA) where: Base-Base interactions energy: -427.910 where: short stacking energy: -193.448 Base-Backbone interact. energy: -0.803 local terms energy: -252.405602 where: bonds (distance) C4'-P energy: -65.672 bonds (distance) P-C4' energy: -53.605 flat angles C4'-P-C4' energy: -57.117 flat angles P-C4'-P energy: -32.389 tors. eta vs tors. theta energy: -43.623 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: 9, replica: 5 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -561.134520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.134520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.134520 (E_RNA) where: Base-Base interactions energy: -321.905 where: short stacking energy: -153.412 Base-Backbone interact. energy: -3.041 local terms energy: -236.188171 where: bonds (distance) C4'-P energy: -61.736 bonds (distance) P-C4' energy: -55.978 flat angles C4'-P-C4' energy: -63.874 flat angles P-C4'-P energy: -31.784 tors. eta vs tors. theta energy: -22.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -277.607268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.607268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.607268 (E_RNA) where: Base-Base interactions energy: -101.232 where: short stacking energy: -88.001 Base-Backbone interact. energy: -1.185 local terms energy: -175.190501 where: bonds (distance) C4'-P energy: -54.149 bonds (distance) P-C4' energy: -44.848 flat angles C4'-P-C4' energy: -46.520 flat angles P-C4'-P energy: -34.684 tors. eta vs tors. theta energy: 5.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1184.093576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.093576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.093576 (E_RNA) where: Base-Base interactions energy: -833.838 where: short stacking energy: -337.620 Base-Backbone interact. energy: -1.820 local terms energy: -348.435534 where: bonds (distance) C4'-P energy: -67.158 bonds (distance) P-C4' energy: -63.278 flat angles C4'-P-C4' energy: -65.394 flat angles P-C4'-P energy: -45.290 tors. eta vs tors. theta energy: -107.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1128.649560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.649560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.649560 (E_RNA) where: Base-Base interactions energy: -793.935 where: short stacking energy: -328.386 Base-Backbone interact. energy: -1.553 local terms energy: -333.161142 where: bonds (distance) C4'-P energy: -70.048 bonds (distance) P-C4' energy: -60.182 flat angles C4'-P-C4' energy: -70.667 flat angles P-C4'-P energy: -41.523 tors. eta vs tors. theta energy: -90.741 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: 477 Temperature: 1.000000 Total energy: -1083.929094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.929094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.929094 (E_RNA) where: Base-Base interactions energy: -762.668 where: short stacking energy: -314.869 Base-Backbone interact. energy: -1.847 local terms energy: -319.414334 where: bonds (distance) C4'-P energy: -68.190 bonds (distance) P-C4' energy: -61.091 flat angles C4'-P-C4' energy: -59.711 flat angles P-C4'-P energy: -48.772 tors. eta vs tors. theta energy: -81.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1043.704727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.704727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.704727 (E_RNA) where: Base-Base interactions energy: -717.729 where: short stacking energy: -320.848 Base-Backbone interact. energy: -0.920 local terms energy: -325.055113 where: bonds (distance) C4'-P energy: -66.710 bonds (distance) P-C4' energy: -58.683 flat angles C4'-P-C4' energy: -68.744 flat angles P-C4'-P energy: -47.276 tors. eta vs tors. theta energy: -83.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -966.317415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.317415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.317415 (E_RNA) where: Base-Base interactions energy: -655.649 where: short stacking energy: -301.885 Base-Backbone interact. energy: -0.774 local terms energy: -309.894251 where: bonds (distance) C4'-P energy: -53.694 bonds (distance) P-C4' energy: -59.830 flat angles C4'-P-C4' energy: -72.238 flat angles P-C4'-P energy: -39.772 tors. eta vs tors. theta energy: -84.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -911.320867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.320867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.320867 (E_RNA) where: Base-Base interactions energy: -623.169 where: short stacking energy: -270.238 Base-Backbone interact. energy: -1.541 local terms energy: -286.610467 where: bonds (distance) C4'-P energy: -56.076 bonds (distance) P-C4' energy: -60.805 flat angles C4'-P-C4' energy: -51.858 flat angles P-C4'-P energy: -45.937 tors. eta vs tors. theta energy: -71.935 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: 4 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -891.943362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.943362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.943362 (E_RNA) where: Base-Base interactions energy: -610.500 where: short stacking energy: -256.226 Base-Backbone interact. energy: -2.121 local terms energy: -279.322256 where: bonds (distance) C4'-P energy: -47.624 bonds (distance) P-C4' energy: -57.822 flat angles C4'-P-C4' energy: -73.115 flat angles P-C4'-P energy: -40.987 tors. eta vs tors. theta energy: -59.774 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: 2 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -690.391632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.391632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.391632 (E_RNA) where: Base-Base interactions energy: -467.926 where: short stacking energy: -212.184 Base-Backbone interact. energy: 1.135 local terms energy: -223.600618 where: bonds (distance) C4'-P energy: -45.024 bonds (distance) P-C4' energy: -50.902 flat angles C4'-P-C4' energy: -47.299 flat angles P-C4'-P energy: -35.173 tors. eta vs tors. theta energy: -45.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -594.714069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.714069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.714069 (E_RNA) where: Base-Base interactions energy: -369.545 where: short stacking energy: -172.837 Base-Backbone interact. energy: 1.353 local terms energy: -226.521870 where: bonds (distance) C4'-P energy: -49.770 bonds (distance) P-C4' energy: -60.487 flat angles C4'-P-C4' energy: -51.229 flat angles P-C4'-P energy: -38.233 tors. eta vs tors. theta energy: -26.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -283.297140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.297140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.297140 (E_RNA) where: Base-Base interactions energy: -94.847 where: short stacking energy: -83.658 Base-Backbone interact. energy: -0.538 local terms energy: -187.912105 where: bonds (distance) C4'-P energy: -48.791 bonds (distance) P-C4' energy: -65.906 flat angles C4'-P-C4' energy: -46.902 flat angles P-C4'-P energy: -19.496 tors. eta vs tors. theta energy: -6.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1203.234808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.234808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.234808 (E_RNA) where: Base-Base interactions energy: -845.563 where: short stacking energy: -335.438 Base-Backbone interact. energy: -0.997 local terms energy: -356.675321 where: bonds (distance) C4'-P energy: -65.724 bonds (distance) P-C4' energy: -65.548 flat angles C4'-P-C4' energy: -74.642 flat angles P-C4'-P energy: -47.683 tors. eta vs tors. theta energy: -103.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1137.425973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.425973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.425973 (E_RNA) where: Base-Base interactions energy: -777.348 where: short stacking energy: -334.924 Base-Backbone interact. energy: -1.633 local terms energy: -358.445287 where: bonds (distance) C4'-P energy: -70.997 bonds (distance) P-C4' energy: -64.290 flat angles C4'-P-C4' energy: -70.169 flat angles P-C4'-P energy: -50.455 tors. eta vs tors. theta energy: -102.534 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: 3, replica: 1 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1079.145571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.145571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.145571 (E_RNA) where: Base-Base interactions energy: -759.117 where: short stacking energy: -301.597 Base-Backbone interact. energy: -1.015 local terms energy: -319.012981 where: bonds (distance) C4'-P energy: -48.136 bonds (distance) P-C4' energy: -70.699 flat angles C4'-P-C4' energy: -68.181 flat angles P-C4'-P energy: -48.314 tors. eta vs tors. theta energy: -83.684 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: 10 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1065.899398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.899398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.899398 (E_RNA) where: Base-Base interactions energy: -747.845 where: short stacking energy: -324.613 Base-Backbone interact. energy: 0.895 local terms energy: -318.949269 where: bonds (distance) C4'-P energy: -62.840 bonds (distance) P-C4' energy: -57.763 flat angles C4'-P-C4' energy: -70.629 flat angles P-C4'-P energy: -42.087 tors. eta vs tors. theta energy: -85.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -968.224804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.224804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.224804 (E_RNA) where: Base-Base interactions energy: -647.824 where: short stacking energy: -304.670 Base-Backbone interact. energy: -2.403 local terms energy: -317.997801 where: bonds (distance) C4'-P energy: -54.685 bonds (distance) P-C4' energy: -67.246 flat angles C4'-P-C4' energy: -66.430 flat angles P-C4'-P energy: -42.420 tors. eta vs tors. theta energy: -87.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -939.455632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.455632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.455632 (E_RNA) where: Base-Base interactions energy: -630.839 where: short stacking energy: -288.999 Base-Backbone interact. energy: 1.458 local terms energy: -310.074432 where: bonds (distance) C4'-P energy: -51.166 bonds (distance) P-C4' energy: -55.124 flat angles C4'-P-C4' energy: -72.766 flat angles P-C4'-P energy: -45.365 tors. eta vs tors. theta energy: -85.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -912.691288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.691288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.691288 (E_RNA) where: Base-Base interactions energy: -636.611 where: short stacking energy: -265.913 Base-Backbone interact. energy: -1.027 local terms energy: -275.052587 where: bonds (distance) C4'-P energy: -57.378 bonds (distance) P-C4' energy: -53.938 flat angles C4'-P-C4' energy: -61.032 flat angles P-C4'-P energy: -32.923 tors. eta vs tors. theta energy: -69.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -680.202874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.202874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.202874 (E_RNA) where: Base-Base interactions energy: -456.591 where: short stacking energy: -199.906 Base-Backbone interact. energy: 2.961 local terms energy: -226.573289 where: bonds (distance) C4'-P energy: -49.967 bonds (distance) P-C4' energy: -55.312 flat angles C4'-P-C4' energy: -54.239 flat angles P-C4'-P energy: -34.022 tors. eta vs tors. theta energy: -33.033 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: 5 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -525.100582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.100582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.100582 (E_RNA) where: Base-Base interactions energy: -299.053 where: short stacking energy: -160.238 Base-Backbone interact. energy: -0.274 local terms energy: -225.773513 where: bonds (distance) C4'-P energy: -54.785 bonds (distance) P-C4' energy: -64.843 flat angles C4'-P-C4' energy: -55.610 flat angles P-C4'-P energy: -27.444 tors. eta vs tors. theta energy: -23.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -288.327190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.327190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.327190 (E_RNA) where: Base-Base interactions energy: -103.423 where: short stacking energy: -83.938 Base-Backbone interact. energy: -1.292 local terms energy: -183.612149 where: bonds (distance) C4'-P energy: -47.057 bonds (distance) P-C4' energy: -54.859 flat angles C4'-P-C4' energy: -53.565 flat angles P-C4'-P energy: -36.716 tors. eta vs tors. theta energy: 8.585 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: 8 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1199.634287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.634287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.634287 (E_RNA) where: Base-Base interactions energy: -830.324 where: short stacking energy: -328.939 Base-Backbone interact. energy: -3.278 local terms energy: -366.033151 where: bonds (distance) C4'-P energy: -68.400 bonds (distance) P-C4' energy: -67.693 flat angles C4'-P-C4' energy: -78.186 flat angles P-C4'-P energy: -51.527 tors. eta vs tors. theta energy: -100.227 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: 2, replica: 9 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1111.932382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.932382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.932382 (E_RNA) where: Base-Base interactions energy: -774.818 where: short stacking energy: -325.891 Base-Backbone interact. energy: -1.578 local terms energy: -335.536333 where: bonds (distance) C4'-P energy: -60.703 bonds (distance) P-C4' energy: -58.454 flat angles C4'-P-C4' energy: -70.140 flat angles P-C4'-P energy: -50.883 tors. eta vs tors. theta energy: -95.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1067.698261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.698261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.698261 (E_RNA) where: Base-Base interactions energy: -746.322 where: short stacking energy: -304.347 Base-Backbone interact. energy: -0.926 local terms energy: -320.450860 where: bonds (distance) C4'-P energy: -58.512 bonds (distance) P-C4' energy: -62.062 flat angles C4'-P-C4' energy: -71.377 flat angles P-C4'-P energy: -43.407 tors. eta vs tors. theta energy: -85.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1051.322088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.322088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.322088 (E_RNA) where: Base-Base interactions energy: -719.099 where: short stacking energy: -317.958 Base-Backbone interact. energy: -0.831 local terms energy: -331.391985 where: bonds (distance) C4'-P energy: -63.492 bonds (distance) P-C4' energy: -64.670 flat angles C4'-P-C4' energy: -72.834 flat angles P-C4'-P energy: -48.917 tors. eta vs tors. theta energy: -81.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -973.386342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.386342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.386342 (E_RNA) where: Base-Base interactions energy: -680.908 where: short stacking energy: -286.001 Base-Backbone interact. energy: 0.311 local terms energy: -292.789614 where: bonds (distance) C4'-P energy: -63.014 bonds (distance) P-C4' energy: -57.895 flat angles C4'-P-C4' energy: -64.134 flat angles P-C4'-P energy: -30.099 tors. eta vs tors. theta energy: -77.648 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: 6 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -950.781545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.781545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.781545 (E_RNA) where: Base-Base interactions energy: -651.246 where: short stacking energy: -303.790 Base-Backbone interact. energy: -0.437 local terms energy: -299.099438 where: bonds (distance) C4'-P energy: -57.266 bonds (distance) P-C4' energy: -48.138 flat angles C4'-P-C4' energy: -59.957 flat angles P-C4'-P energy: -48.232 tors. eta vs tors. theta energy: -85.507 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: 4 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -894.014700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.014700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.014700 (E_RNA) where: Base-Base interactions energy: -615.792 where: short stacking energy: -251.899 Base-Backbone interact. energy: 1.358 local terms energy: -279.580173 where: bonds (distance) C4'-P energy: -52.639 bonds (distance) P-C4' energy: -58.951 flat angles C4'-P-C4' energy: -63.697 flat angles P-C4'-P energy: -41.204 tors. eta vs tors. theta energy: -63.091 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: 2 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -728.913573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.913573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.913573 (E_RNA) where: Base-Base interactions energy: -471.852 where: short stacking energy: -209.780 Base-Backbone interact. energy: 0.079 local terms energy: -257.140186 where: bonds (distance) C4'-P energy: -58.957 bonds (distance) P-C4' energy: -48.004 flat angles C4'-P-C4' energy: -63.309 flat angles P-C4'-P energy: -43.961 tors. eta vs tors. theta energy: -42.910 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: 5 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -501.534442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.534442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.534442 (E_RNA) where: Base-Base interactions energy: -281.290 where: short stacking energy: -130.553 Base-Backbone interact. energy: -0.249 local terms energy: -219.995500 where: bonds (distance) C4'-P energy: -53.290 bonds (distance) P-C4' energy: -63.462 flat angles C4'-P-C4' energy: -60.334 flat angles P-C4'-P energy: -28.784 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: 10, replica: 7 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -287.259412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.259412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.259412 (E_RNA) where: Base-Base interactions energy: -107.639 where: short stacking energy: -88.582 Base-Backbone interact. energy: -0.523 local terms energy: -179.097110 where: bonds (distance) C4'-P energy: -51.793 bonds (distance) P-C4' energy: -59.853 flat angles C4'-P-C4' energy: -37.821 flat angles P-C4'-P energy: -21.438 tors. eta vs tors. theta energy: -8.192 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: 1, replica: 9 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1149.656908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.656908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.656908 (E_RNA) where: Base-Base interactions energy: -796.486 where: short stacking energy: -320.265 Base-Backbone interact. energy: -0.866 local terms energy: -352.304705 where: bonds (distance) C4'-P energy: -63.479 bonds (distance) P-C4' energy: -67.351 flat angles C4'-P-C4' energy: -74.642 flat angles P-C4'-P energy: -53.452 tors. eta vs tors. theta energy: -93.380 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: 8 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1168.920474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.920474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.920474 (E_RNA) where: Base-Base interactions energy: -812.862 where: short stacking energy: -348.215 Base-Backbone interact. energy: -1.247 local terms energy: -354.811701 where: bonds (distance) C4'-P energy: -61.788 bonds (distance) P-C4' energy: -63.796 flat angles C4'-P-C4' energy: -78.599 flat angles P-C4'-P energy: -46.119 tors. eta vs tors. theta energy: -104.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1080.158518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.158518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.158518 (E_RNA) where: Base-Base interactions energy: -742.661 where: short stacking energy: -304.345 Base-Backbone interact. energy: -2.726 local terms energy: -334.771229 where: bonds (distance) C4'-P energy: -63.792 bonds (distance) P-C4' energy: -68.056 flat angles C4'-P-C4' energy: -70.512 flat angles P-C4'-P energy: -48.053 tors. eta vs tors. theta energy: -84.358 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: 10 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1056.032840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.032840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.032840 (E_RNA) where: Base-Base interactions energy: -741.672 where: short stacking energy: -297.982 Base-Backbone interact. energy: 0.146 local terms energy: -314.507048 where: bonds (distance) C4'-P energy: -59.759 bonds (distance) P-C4' energy: -63.675 flat angles C4'-P-C4' energy: -68.864 flat angles P-C4'-P energy: -43.057 tors. eta vs tors. theta energy: -79.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -995.307920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.307920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.307920 (E_RNA) where: Base-Base interactions energy: -672.981 where: short stacking energy: -285.402 Base-Backbone interact. energy: -0.554 local terms energy: -321.772276 where: bonds (distance) C4'-P energy: -61.319 bonds (distance) P-C4' energy: -49.051 flat angles C4'-P-C4' energy: -70.442 flat angles P-C4'-P energy: -46.884 tors. eta vs tors. theta energy: -94.075 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: 6, replica: 6 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -879.580193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.580193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.580193 (E_RNA) where: Base-Base interactions energy: -602.675 where: short stacking energy: -235.367 Base-Backbone interact. energy: -0.683 local terms energy: -276.221310 where: bonds (distance) C4'-P energy: -56.354 bonds (distance) P-C4' energy: -63.702 flat angles C4'-P-C4' energy: -57.302 flat angles P-C4'-P energy: -39.066 tors. eta vs tors. theta energy: -59.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -924.807488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.807488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.807488 (E_RNA) where: Base-Base interactions energy: -628.259 where: short stacking energy: -275.951 Base-Backbone interact. energy: -1.278 local terms energy: -295.269681 where: bonds (distance) C4'-P energy: -46.416 bonds (distance) P-C4' energy: -62.118 flat angles C4'-P-C4' energy: -70.675 flat angles P-C4'-P energy: -41.076 tors. eta vs tors. theta energy: -74.984 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: 2 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -681.794404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.794404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.794404 (E_RNA) where: Base-Base interactions energy: -442.163 where: short stacking energy: -193.124 Base-Backbone interact. energy: -0.844 local terms energy: -238.787576 where: bonds (distance) C4'-P energy: -54.358 bonds (distance) P-C4' energy: -58.402 flat angles C4'-P-C4' energy: -56.500 flat angles P-C4'-P energy: -25.175 tors. eta vs tors. theta energy: -44.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -484.737923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.737923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.737923 (E_RNA) where: Base-Base interactions energy: -257.216 where: short stacking energy: -140.668 Base-Backbone interact. energy: 0.205 local terms energy: -227.727064 where: bonds (distance) C4'-P energy: -51.742 bonds (distance) P-C4' energy: -62.049 flat angles C4'-P-C4' energy: -53.829 flat angles P-C4'-P energy: -32.959 tors. eta vs tors. theta energy: -27.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -282.184521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.184521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.184521 (E_RNA) where: Base-Base interactions energy: -103.720 where: short stacking energy: -77.114 Base-Backbone interact. energy: -0.472 local terms energy: -177.992078 where: bonds (distance) C4'-P energy: -51.600 bonds (distance) P-C4' energy: -56.105 flat angles C4'-P-C4' energy: -47.509 flat angles P-C4'-P energy: -38.320 tors. eta vs tors. theta energy: 15.541 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: 1, replica: 9 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1153.355583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.355583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.355583 (E_RNA) where: Base-Base interactions energy: -796.165 where: short stacking energy: -346.397 Base-Backbone interact. energy: -0.970 local terms energy: -356.220766 where: bonds (distance) C4'-P energy: -59.748 bonds (distance) P-C4' energy: -70.095 flat angles C4'-P-C4' energy: -71.219 flat angles P-C4'-P energy: -55.306 tors. eta vs tors. theta energy: -99.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1178.986006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.986006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.986006 (E_RNA) where: Base-Base interactions energy: -834.779 where: short stacking energy: -341.295 Base-Backbone interact. energy: -4.405 local terms energy: -339.802374 where: bonds (distance) C4'-P energy: -58.126 bonds (distance) P-C4' energy: -53.550 flat angles C4'-P-C4' energy: -76.901 flat angles P-C4'-P energy: -50.739 tors. eta vs tors. theta energy: -100.487 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: 481 Temperature: 1.000000 Total energy: -1079.587978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.587978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.587978 (E_RNA) where: Base-Base interactions energy: -756.442 where: short stacking energy: -309.228 Base-Backbone interact. energy: 0.538 local terms energy: -323.683344 where: bonds (distance) C4'-P energy: -51.380 bonds (distance) P-C4' energy: -64.222 flat angles C4'-P-C4' energy: -70.122 flat angles P-C4'-P energy: -48.628 tors. eta vs tors. theta energy: -89.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1042.245928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.245928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.245928 (E_RNA) where: Base-Base interactions energy: -709.530 where: short stacking energy: -316.709 Base-Backbone interact. energy: -0.531 local terms energy: -332.184711 where: bonds (distance) C4'-P energy: -61.825 bonds (distance) P-C4' energy: -61.798 flat angles C4'-P-C4' energy: -69.097 flat angles P-C4'-P energy: -55.669 tors. eta vs tors. theta energy: -83.796 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: 481 Temperature: 1.100000 Total energy: -1049.304134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.304134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.304134 (E_RNA) where: Base-Base interactions energy: -738.112 where: short stacking energy: -307.829 Base-Backbone interact. energy: -0.815 local terms energy: -310.377360 where: bonds (distance) C4'-P energy: -43.928 bonds (distance) P-C4' energy: -62.420 flat angles C4'-P-C4' energy: -72.448 flat angles P-C4'-P energy: -44.276 tors. eta vs tors. theta energy: -87.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -959.507669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.507669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.507669 (E_RNA) where: Base-Base interactions energy: -653.409 where: short stacking energy: -278.215 Base-Backbone interact. energy: 1.694 local terms energy: -307.792859 where: bonds (distance) C4'-P energy: -65.910 bonds (distance) P-C4' energy: -54.627 flat angles C4'-P-C4' energy: -66.461 flat angles P-C4'-P energy: -37.973 tors. eta vs tors. theta energy: -82.822 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: 6 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -842.532879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.532879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.532879 (E_RNA) where: Base-Base interactions energy: -576.897 where: short stacking energy: -245.225 Base-Backbone interact. energy: -1.794 local terms energy: -263.842045 where: bonds (distance) C4'-P energy: -45.829 bonds (distance) P-C4' energy: -52.428 flat angles C4'-P-C4' energy: -62.556 flat angles P-C4'-P energy: -41.777 tors. eta vs tors. theta energy: -61.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -690.448068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.448068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.448068 (E_RNA) where: Base-Base interactions energy: -436.786 where: short stacking energy: -187.081 Base-Backbone interact. energy: -0.588 local terms energy: -253.073468 where: bonds (distance) C4'-P energy: -45.265 bonds (distance) P-C4' energy: -61.039 flat angles C4'-P-C4' energy: -68.117 flat angles P-C4'-P energy: -36.184 tors. eta vs tors. theta energy: -42.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -461.178993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.178993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.178993 (E_RNA) where: Base-Base interactions energy: -260.479 where: short stacking energy: -138.287 Base-Backbone interact. energy: -0.087 local terms energy: -200.613897 where: bonds (distance) C4'-P energy: -48.062 bonds (distance) P-C4' energy: -54.927 flat angles C4'-P-C4' energy: -57.890 flat angles P-C4'-P energy: -25.565 tors. eta vs tors. theta energy: -14.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -282.380270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.380270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.380270 (E_RNA) where: Base-Base interactions energy: -104.956 where: short stacking energy: -64.959 Base-Backbone interact. energy: 0.139 local terms energy: -177.563245 where: bonds (distance) C4'-P energy: -60.556 bonds (distance) P-C4' energy: -55.896 flat angles C4'-P-C4' energy: -43.425 flat angles P-C4'-P energy: -31.915 tors. eta vs tors. theta energy: 14.229 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: 1, replica: 8 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1208.413526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.413526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.413526 (E_RNA) where: Base-Base interactions energy: -853.332 where: short stacking energy: -345.597 Base-Backbone interact. energy: 1.691 local terms energy: -356.772789 where: bonds (distance) C4'-P energy: -64.907 bonds (distance) P-C4' energy: -70.065 flat angles C4'-P-C4' energy: -70.764 flat angles P-C4'-P energy: -49.946 tors. eta vs tors. theta energy: -101.091 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: 482 Temperature: 0.950000 Total energy: -1134.562576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.562576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.562576 (E_RNA) where: Base-Base interactions energy: -787.564 where: short stacking energy: -331.001 Base-Backbone interact. energy: -0.377 local terms energy: -346.621690 where: bonds (distance) C4'-P energy: -64.840 bonds (distance) P-C4' energy: -69.396 flat angles C4'-P-C4' energy: -72.026 flat angles P-C4'-P energy: -44.914 tors. eta vs tors. theta energy: -95.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1065.937012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.937012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.937012 (E_RNA) where: Base-Base interactions energy: -730.403 where: short stacking energy: -324.968 Base-Backbone interact. energy: -1.041 local terms energy: -334.493189 where: bonds (distance) C4'-P energy: -64.105 bonds (distance) P-C4' energy: -56.428 flat angles C4'-P-C4' energy: -73.879 flat angles P-C4'-P energy: -48.496 tors. eta vs tors. theta energy: -91.585 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: 482 Temperature: 1.050000 Total energy: -1071.317531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.317531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.317531 (E_RNA) where: Base-Base interactions energy: -748.704 where: short stacking energy: -309.378 Base-Backbone interact. energy: -1.380 local terms energy: -321.232976 where: bonds (distance) C4'-P energy: -66.447 bonds (distance) P-C4' energy: -58.624 flat angles C4'-P-C4' energy: -70.505 flat angles P-C4'-P energy: -41.616 tors. eta vs tors. theta energy: -84.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1053.509569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.509569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.509569 (E_RNA) where: Base-Base interactions energy: -746.537 where: short stacking energy: -323.116 Base-Backbone interact. energy: -0.803 local terms energy: -306.170131 where: bonds (distance) C4'-P energy: -63.705 bonds (distance) P-C4' energy: -43.656 flat angles C4'-P-C4' energy: -69.357 flat angles P-C4'-P energy: -47.524 tors. eta vs tors. theta energy: -81.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -948.322106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.322106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.322106 (E_RNA) where: Base-Base interactions energy: -655.247 where: short stacking energy: -275.490 Base-Backbone interact. energy: -0.971 local terms energy: -292.104141 where: bonds (distance) C4'-P energy: -42.999 bonds (distance) P-C4' energy: -55.915 flat angles C4'-P-C4' energy: -71.973 flat angles P-C4'-P energy: -41.766 tors. eta vs tors. theta energy: -79.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -852.809600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.809600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.809600 (E_RNA) where: Base-Base interactions energy: -577.647 where: short stacking energy: -246.780 Base-Backbone interact. energy: -0.465 local terms energy: -274.697714 where: bonds (distance) C4'-P energy: -54.496 bonds (distance) P-C4' energy: -63.457 flat angles C4'-P-C4' energy: -60.552 flat angles P-C4'-P energy: -28.777 tors. eta vs tors. theta energy: -67.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -732.364136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.364136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.364136 (E_RNA) where: Base-Base interactions energy: -481.799 where: short stacking energy: -211.239 Base-Backbone interact. energy: 4.327 local terms energy: -254.891939 where: bonds (distance) C4'-P energy: -51.628 bonds (distance) P-C4' energy: -53.120 flat angles C4'-P-C4' energy: -69.459 flat angles P-C4'-P energy: -35.710 tors. eta vs tors. theta energy: -44.975 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: 5 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -479.657930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.657930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.657930 (E_RNA) where: Base-Base interactions energy: -265.344 where: short stacking energy: -143.223 Base-Backbone interact. energy: -1.228 local terms energy: -213.085255 where: bonds (distance) C4'-P energy: -62.129 bonds (distance) P-C4' energy: -49.854 flat angles C4'-P-C4' energy: -55.601 flat angles P-C4'-P energy: -30.197 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: 10, replica: 7 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -261.272481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.272481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.272481 (E_RNA) where: Base-Base interactions energy: -92.220 where: short stacking energy: -75.495 Base-Backbone interact. energy: 0.232 local terms energy: -169.284244 where: bonds (distance) C4'-P energy: -57.923 bonds (distance) P-C4' energy: -49.542 flat angles C4'-P-C4' energy: -38.922 flat angles P-C4'-P energy: -41.319 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: 1, replica: 8 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1204.527636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.527636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.527636 (E_RNA) where: Base-Base interactions energy: -841.103 where: short stacking energy: -322.559 Base-Backbone interact. energy: -2.345 local terms energy: -361.080046 where: bonds (distance) C4'-P energy: -69.828 bonds (distance) P-C4' energy: -66.729 flat angles C4'-P-C4' energy: -72.818 flat angles P-C4'-P energy: -54.133 tors. eta vs tors. theta energy: -97.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1133.469551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.469551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.469551 (E_RNA) where: Base-Base interactions energy: -784.866 where: short stacking energy: -335.774 Base-Backbone interact. energy: -0.403 local terms energy: -348.199956 where: bonds (distance) C4'-P energy: -64.567 bonds (distance) P-C4' energy: -63.704 flat angles C4'-P-C4' energy: -66.398 flat angles P-C4'-P energy: -56.178 tors. eta vs tors. theta energy: -97.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1070.794079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.794079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.794079 (E_RNA) where: Base-Base interactions energy: -727.298 where: short stacking energy: -338.211 Base-Backbone interact. energy: -1.563 local terms energy: -341.932252 where: bonds (distance) C4'-P energy: -61.316 bonds (distance) P-C4' energy: -55.340 flat angles C4'-P-C4' energy: -64.081 flat angles P-C4'-P energy: -58.259 tors. eta vs tors. theta energy: -102.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1065.381420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.381420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.381420 (E_RNA) where: Base-Base interactions energy: -727.880 where: short stacking energy: -307.483 Base-Backbone interact. energy: -2.436 local terms energy: -335.065115 where: bonds (distance) C4'-P energy: -71.689 bonds (distance) P-C4' energy: -64.121 flat angles C4'-P-C4' energy: -64.450 flat angles P-C4'-P energy: -47.772 tors. eta vs tors. theta energy: -87.033 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: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1031.307726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.307726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.307726 (E_RNA) where: Base-Base interactions energy: -717.053 where: short stacking energy: -284.846 Base-Backbone interact. energy: -0.588 local terms energy: -313.666323 where: bonds (distance) C4'-P energy: -54.560 bonds (distance) P-C4' energy: -55.413 flat angles C4'-P-C4' energy: -67.366 flat angles P-C4'-P energy: -53.585 tors. eta vs tors. theta energy: -82.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -950.947193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.947193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.947193 (E_RNA) where: Base-Base interactions energy: -659.886 where: short stacking energy: -275.992 Base-Backbone interact. energy: -0.035 local terms energy: -291.025305 where: bonds (distance) C4'-P energy: -46.824 bonds (distance) P-C4' energy: -60.940 flat angles C4'-P-C4' energy: -59.620 flat angles P-C4'-P energy: -52.828 tors. eta vs tors. theta energy: -70.813 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: 6 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -834.202297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.202297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.202297 (E_RNA) where: Base-Base interactions energy: -549.013 where: short stacking energy: -240.194 Base-Backbone interact. energy: -0.274 local terms energy: -284.915300 where: bonds (distance) C4'-P energy: -58.247 bonds (distance) P-C4' energy: -58.413 flat angles C4'-P-C4' energy: -59.932 flat angles P-C4'-P energy: -44.669 tors. eta vs tors. theta energy: -63.655 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: 2 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -733.538193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.538193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.538193 (E_RNA) where: Base-Base interactions energy: -490.150 where: short stacking energy: -226.387 Base-Backbone interact. energy: -1.987 local terms energy: -241.401335 where: bonds (distance) C4'-P energy: -48.459 bonds (distance) P-C4' energy: -51.065 flat angles C4'-P-C4' energy: -54.028 flat angles P-C4'-P energy: -37.504 tors. eta vs tors. theta energy: -50.345 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: 9, replica: 5 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -533.472165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.472165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.472165 (E_RNA) where: Base-Base interactions energy: -314.757 where: short stacking energy: -146.730 Base-Backbone interact. energy: -0.813 local terms energy: -217.901310 where: bonds (distance) C4'-P energy: -56.241 bonds (distance) P-C4' energy: -53.655 flat angles C4'-P-C4' energy: -41.156 flat angles P-C4'-P energy: -47.817 tors. eta vs tors. theta energy: -19.033 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: 7 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -277.995059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.995059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.995059 (E_RNA) where: Base-Base interactions energy: -81.263 where: short stacking energy: -76.401 Base-Backbone interact. energy: -1.900 local terms energy: -194.831889 where: bonds (distance) C4'-P energy: -59.338 bonds (distance) P-C4' energy: -53.473 flat angles C4'-P-C4' energy: -57.217 flat angles P-C4'-P energy: -34.328 tors. eta vs tors. theta energy: 9.524 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: 8 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1187.894256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.894256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.894256 (E_RNA) where: Base-Base interactions energy: -828.876 where: short stacking energy: -351.682 Base-Backbone interact. energy: -2.641 local terms energy: -356.378084 where: bonds (distance) C4'-P energy: -64.283 bonds (distance) P-C4' energy: -62.156 flat angles C4'-P-C4' energy: -70.357 flat angles P-C4'-P energy: -51.013 tors. eta vs tors. theta energy: -108.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1139.487798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.487798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.487798 (E_RNA) where: Base-Base interactions energy: -791.663 where: short stacking energy: -337.058 Base-Backbone interact. energy: -1.801 local terms energy: -346.024514 where: bonds (distance) C4'-P energy: -63.878 bonds (distance) P-C4' energy: -57.374 flat angles C4'-P-C4' energy: -75.348 flat angles P-C4'-P energy: -55.199 tors. eta vs tors. theta energy: -94.225 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: 3 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1073.531290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.531290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.531290 (E_RNA) where: Base-Base interactions energy: -726.462 where: short stacking energy: -339.409 Base-Backbone interact. energy: -0.994 local terms energy: -346.074952 where: bonds (distance) C4'-P energy: -67.929 bonds (distance) P-C4' energy: -63.069 flat angles C4'-P-C4' energy: -63.464 flat angles P-C4'-P energy: -49.399 tors. eta vs tors. theta energy: -102.214 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: 10 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1038.953278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.953278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.953278 (E_RNA) where: Base-Base interactions energy: -726.205 where: short stacking energy: -303.310 Base-Backbone interact. energy: -1.659 local terms energy: -311.089010 where: bonds (distance) C4'-P energy: -59.742 bonds (distance) P-C4' energy: -58.133 flat angles C4'-P-C4' energy: -68.525 flat angles P-C4'-P energy: -43.097 tors. eta vs tors. theta energy: -81.592 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: 1 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1040.326951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.326951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.326951 (E_RNA) where: Base-Base interactions energy: -722.725 where: short stacking energy: -288.907 Base-Backbone interact. energy: -1.859 local terms energy: -315.742537 where: bonds (distance) C4'-P energy: -55.720 bonds (distance) P-C4' energy: -58.189 flat angles C4'-P-C4' energy: -73.832 flat angles P-C4'-P energy: -48.649 tors. eta vs tors. theta energy: -79.353 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: 4 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -924.258705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.258705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.258705 (E_RNA) where: Base-Base interactions energy: -628.357 where: short stacking energy: -268.402 Base-Backbone interact. energy: -1.435 local terms energy: -294.466633 where: bonds (distance) C4'-P energy: -70.200 bonds (distance) P-C4' energy: -55.132 flat angles C4'-P-C4' energy: -71.804 flat angles P-C4'-P energy: -27.219 tors. eta vs tors. theta energy: -70.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -848.560236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.560236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.560236 (E_RNA) where: Base-Base interactions energy: -586.828 where: short stacking energy: -245.136 Base-Backbone interact. energy: -3.828 local terms energy: -257.903952 where: bonds (distance) C4'-P energy: -41.440 bonds (distance) P-C4' energy: -49.401 flat angles C4'-P-C4' energy: -61.512 flat angles P-C4'-P energy: -29.336 tors. eta vs tors. theta energy: -76.215 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: 2 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -760.212926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.212926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.212926 (E_RNA) where: Base-Base interactions energy: -508.940 where: short stacking energy: -217.857 Base-Backbone interact. energy: -0.670 local terms energy: -250.602890 where: bonds (distance) C4'-P energy: -52.019 bonds (distance) P-C4' energy: -59.604 flat angles C4'-P-C4' energy: -62.609 flat angles P-C4'-P energy: -38.685 tors. eta vs tors. theta energy: -37.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -485.289221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.289221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.289221 (E_RNA) where: Base-Base interactions energy: -267.089 where: short stacking energy: -138.617 Base-Backbone interact. energy: -1.144 local terms energy: -217.056649 where: bonds (distance) C4'-P energy: -42.732 bonds (distance) P-C4' energy: -60.187 flat angles C4'-P-C4' energy: -54.258 flat angles P-C4'-P energy: -28.625 tors. eta vs tors. theta energy: -31.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -309.126319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.126319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.126319 (E_RNA) where: Base-Base interactions energy: -116.115 where: short stacking energy: -103.679 Base-Backbone interact. energy: -0.685 local terms energy: -192.326175 where: bonds (distance) C4'-P energy: -61.898 bonds (distance) P-C4' energy: -65.031 flat angles C4'-P-C4' energy: -53.311 flat angles P-C4'-P energy: -14.231 tors. eta vs tors. theta energy: 2.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1191.064779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.064779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.064779 (E_RNA) where: Base-Base interactions energy: -830.176 where: short stacking energy: -352.939 Base-Backbone interact. energy: -1.354 local terms energy: -359.534894 where: bonds (distance) C4'-P energy: -63.732 bonds (distance) P-C4' energy: -67.194 flat angles C4'-P-C4' energy: -73.802 flat angles P-C4'-P energy: -49.269 tors. eta vs tors. theta energy: -105.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1133.320031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.320031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.320031 (E_RNA) where: Base-Base interactions energy: -797.850 where: short stacking energy: -339.656 Base-Backbone interact. energy: -0.714 local terms energy: -334.756707 where: bonds (distance) C4'-P energy: -60.622 bonds (distance) P-C4' energy: -70.532 flat angles C4'-P-C4' energy: -71.097 flat angles P-C4'-P energy: -41.181 tors. eta vs tors. theta energy: -91.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1086.877711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.877711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.877711 (E_RNA) where: Base-Base interactions energy: -738.934 where: short stacking energy: -340.421 Base-Backbone interact. energy: -1.287 local terms energy: -346.656210 where: bonds (distance) C4'-P energy: -59.502 bonds (distance) P-C4' energy: -59.428 flat angles C4'-P-C4' energy: -70.848 flat angles P-C4'-P energy: -51.071 tors. eta vs tors. theta energy: -105.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1071.251202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.251202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.251202 (E_RNA) where: Base-Base interactions energy: -745.766 where: short stacking energy: -304.278 Base-Backbone interact. energy: -2.103 local terms energy: -323.381997 where: bonds (distance) C4'-P energy: -48.847 bonds (distance) P-C4' energy: -63.160 flat angles C4'-P-C4' energy: -71.458 flat angles P-C4'-P energy: -42.077 tors. eta vs tors. theta energy: -97.840 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: 10 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1023.149102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.149102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.149102 (E_RNA) where: Base-Base interactions energy: -705.922 where: short stacking energy: -293.304 Base-Backbone interact. energy: 0.637 local terms energy: -317.864198 where: bonds (distance) C4'-P energy: -56.949 bonds (distance) P-C4' energy: -64.021 flat angles C4'-P-C4' energy: -70.953 flat angles P-C4'-P energy: -44.535 tors. eta vs tors. theta energy: -81.406 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: 4 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -939.496266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.496266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.496266 (E_RNA) where: Base-Base interactions energy: -635.417 where: short stacking energy: -285.024 Base-Backbone interact. energy: -1.589 local terms energy: -302.490563 where: bonds (distance) C4'-P energy: -56.757 bonds (distance) P-C4' energy: -54.939 flat angles C4'-P-C4' energy: -65.361 flat angles P-C4'-P energy: -47.459 tors. eta vs tors. theta energy: -77.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -832.472747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.472747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.472747 (E_RNA) where: Base-Base interactions energy: -571.951 where: short stacking energy: -226.416 Base-Backbone interact. energy: -3.089 local terms energy: -257.432391 where: bonds (distance) C4'-P energy: -54.538 bonds (distance) P-C4' energy: -48.115 flat angles C4'-P-C4' energy: -65.531 flat angles P-C4'-P energy: -35.109 tors. eta vs tors. theta energy: -54.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -760.173131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.173131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.173131 (E_RNA) where: Base-Base interactions energy: -486.556 where: short stacking energy: -218.769 Base-Backbone interact. energy: 1.204 local terms energy: -274.821582 where: bonds (distance) C4'-P energy: -54.786 bonds (distance) P-C4' energy: -57.065 flat angles C4'-P-C4' energy: -62.658 flat angles P-C4'-P energy: -39.241 tors. eta vs tors. theta energy: -61.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -453.691793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.691793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.691793 (E_RNA) where: Base-Base interactions energy: -256.124 where: short stacking energy: -142.555 Base-Backbone interact. energy: 1.132 local terms energy: -198.700099 where: bonds (distance) C4'-P energy: -53.929 bonds (distance) P-C4' energy: -54.479 flat angles C4'-P-C4' energy: -48.018 flat angles P-C4'-P energy: -34.353 tors. eta vs tors. theta energy: -7.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -299.418923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.418923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.418923 (E_RNA) where: Base-Base interactions energy: -103.704 where: short stacking energy: -82.052 Base-Backbone interact. energy: 0.406 local terms energy: -196.120309 where: bonds (distance) C4'-P energy: -53.912 bonds (distance) P-C4' energy: -49.612 flat angles C4'-P-C4' energy: -52.680 flat angles P-C4'-P energy: -33.942 tors. eta vs tors. theta energy: -5.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1209.156615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.156615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.156615 (E_RNA) where: Base-Base interactions energy: -847.516 where: short stacking energy: -359.964 Base-Backbone interact. energy: -2.403 local terms energy: -359.238179 where: bonds (distance) C4'-P energy: -59.750 bonds (distance) P-C4' energy: -68.500 flat angles C4'-P-C4' energy: -69.322 flat angles P-C4'-P energy: -54.470 tors. eta vs tors. theta energy: -107.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1125.520822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.520822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.520822 (E_RNA) where: Base-Base interactions energy: -777.016 where: short stacking energy: -321.263 Base-Backbone interact. energy: -1.837 local terms energy: -346.667877 where: bonds (distance) C4'-P energy: -69.739 bonds (distance) P-C4' energy: -66.585 flat angles C4'-P-C4' energy: -71.663 flat angles P-C4'-P energy: -47.182 tors. eta vs tors. theta energy: -91.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1087.880903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.880903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.880903 (E_RNA) where: Base-Base interactions energy: -761.745 where: short stacking energy: -303.126 Base-Backbone interact. energy: -0.160 local terms energy: -325.975803 where: bonds (distance) C4'-P energy: -56.361 bonds (distance) P-C4' energy: -68.667 flat angles C4'-P-C4' energy: -69.780 flat angles P-C4'-P energy: -45.515 tors. eta vs tors. theta energy: -85.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1042.976924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.976924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.976924 (E_RNA) where: Base-Base interactions energy: -712.017 where: short stacking energy: -327.518 Base-Backbone interact. energy: -0.163 local terms energy: -330.797618 where: bonds (distance) C4'-P energy: -63.280 bonds (distance) P-C4' energy: -57.202 flat angles C4'-P-C4' energy: -68.637 flat angles P-C4'-P energy: -43.203 tors. eta vs tors. theta energy: -98.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1008.635506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.635506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.635506 (E_RNA) where: Base-Base interactions energy: -709.190 where: short stacking energy: -299.294 Base-Backbone interact. energy: -1.165 local terms energy: -298.280562 where: bonds (distance) C4'-P energy: -49.276 bonds (distance) P-C4' energy: -52.190 flat angles C4'-P-C4' energy: -70.795 flat angles P-C4'-P energy: -39.632 tors. eta vs tors. theta energy: -86.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -923.458493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.458493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.458493 (E_RNA) where: Base-Base interactions energy: -634.932 where: short stacking energy: -278.219 Base-Backbone interact. energy: -0.718 local terms energy: -287.808280 where: bonds (distance) C4'-P energy: -55.533 bonds (distance) P-C4' energy: -61.009 flat angles C4'-P-C4' energy: -60.657 flat angles P-C4'-P energy: -33.562 tors. eta vs tors. theta energy: -77.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -846.669762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.669762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.669762 (E_RNA) where: Base-Base interactions energy: -573.010 where: short stacking energy: -217.362 Base-Backbone interact. energy: -1.774 local terms energy: -271.885465 where: bonds (distance) C4'-P energy: -56.687 bonds (distance) P-C4' energy: -62.664 flat angles C4'-P-C4' energy: -60.190 flat angles P-C4'-P energy: -37.880 tors. eta vs tors. theta energy: -54.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -714.026172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.026172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.026172 (E_RNA) where: Base-Base interactions energy: -489.640 where: short stacking energy: -224.690 Base-Backbone interact. energy: -0.575 local terms energy: -223.811170 where: bonds (distance) C4'-P energy: -48.140 bonds (distance) P-C4' energy: -46.570 flat angles C4'-P-C4' energy: -47.634 flat angles P-C4'-P energy: -29.678 tors. eta vs tors. theta energy: -51.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -448.719921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.719921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.719921 (E_RNA) where: Base-Base interactions energy: -250.648 where: short stacking energy: -137.463 Base-Backbone interact. energy: 1.528 local terms energy: -199.599536 where: bonds (distance) C4'-P energy: -52.604 bonds (distance) P-C4' energy: -49.488 flat angles C4'-P-C4' energy: -47.748 flat angles P-C4'-P energy: -39.072 tors. eta vs tors. theta energy: -10.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -309.211161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.211161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.211161 (E_RNA) where: Base-Base interactions energy: -144.276 where: short stacking energy: -89.151 Base-Backbone interact. energy: -2.363 local terms energy: -162.572078 where: bonds (distance) C4'-P energy: -56.255 bonds (distance) P-C4' energy: -41.639 flat angles C4'-P-C4' energy: -36.966 flat angles P-C4'-P energy: -30.692 tors. eta vs tors. theta energy: 2.980 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: 8 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1198.928778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.928778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.928778 (E_RNA) where: Base-Base interactions energy: -839.092 where: short stacking energy: -365.452 Base-Backbone interact. energy: -2.606 local terms energy: -357.230810 where: bonds (distance) C4'-P energy: -62.717 bonds (distance) P-C4' energy: -65.462 flat angles C4'-P-C4' energy: -72.177 flat angles P-C4'-P energy: -51.815 tors. eta vs tors. theta energy: -105.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1131.116822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.116822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.116822 (E_RNA) where: Base-Base interactions energy: -790.501 where: short stacking energy: -313.428 Base-Backbone interact. energy: 0.404 local terms energy: -341.019949 where: bonds (distance) C4'-P energy: -66.105 bonds (distance) P-C4' energy: -62.058 flat angles C4'-P-C4' energy: -79.113 flat angles P-C4'-P energy: -44.453 tors. eta vs tors. theta energy: -89.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1101.105062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.105062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.105062 (E_RNA) where: Base-Base interactions energy: -778.042 where: short stacking energy: -316.475 Base-Backbone interact. energy: -1.469 local terms energy: -321.593467 where: bonds (distance) C4'-P energy: -46.922 bonds (distance) P-C4' energy: -72.524 flat angles C4'-P-C4' energy: -71.397 flat angles P-C4'-P energy: -41.294 tors. eta vs tors. theta energy: -89.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1074.476428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.476428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.476428 (E_RNA) where: Base-Base interactions energy: -739.914 where: short stacking energy: -331.738 Base-Backbone interact. energy: 0.019 local terms energy: -334.581807 where: bonds (distance) C4'-P energy: -56.253 bonds (distance) P-C4' energy: -54.557 flat angles C4'-P-C4' energy: -71.267 flat angles P-C4'-P energy: -49.384 tors. eta vs tors. theta energy: -103.120 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: 487 Temperature: 1.100000 Total energy: -1030.964778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.964778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.964778 (E_RNA) where: Base-Base interactions energy: -730.858 where: short stacking energy: -301.209 Base-Backbone interact. energy: 0.075 local terms energy: -300.181724 where: bonds (distance) C4'-P energy: -52.874 bonds (distance) P-C4' energy: -63.101 flat angles C4'-P-C4' energy: -63.954 flat angles P-C4'-P energy: -40.445 tors. eta vs tors. theta energy: -79.808 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: 487 Temperature: 1.150000 Total energy: -942.274192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.274192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.274192 (E_RNA) where: Base-Base interactions energy: -651.680 where: short stacking energy: -263.131 Base-Backbone interact. energy: -1.380 local terms energy: -289.214414 where: bonds (distance) C4'-P energy: -45.801 bonds (distance) P-C4' energy: -46.806 flat angles C4'-P-C4' energy: -57.670 flat angles P-C4'-P energy: -47.993 tors. eta vs tors. theta energy: -90.944 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: 6 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -850.289523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.289523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.289523 (E_RNA) where: Base-Base interactions energy: -573.648 where: short stacking energy: -260.326 Base-Backbone interact. energy: 2.238 local terms energy: -278.879341 where: bonds (distance) C4'-P energy: -54.960 bonds (distance) P-C4' energy: -53.609 flat angles C4'-P-C4' energy: -64.805 flat angles P-C4'-P energy: -35.627 tors. eta vs tors. theta energy: -69.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -701.530875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.530875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.530875 (E_RNA) where: Base-Base interactions energy: -484.742 where: short stacking energy: -198.457 Base-Backbone interact. energy: 2.089 local terms energy: -218.877492 where: bonds (distance) C4'-P energy: -52.039 bonds (distance) P-C4' energy: -54.360 flat angles C4'-P-C4' energy: -50.859 flat angles P-C4'-P energy: -24.555 tors. eta vs tors. theta energy: -37.065 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: 5 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -465.124396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.124396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.124396 (E_RNA) where: Base-Base interactions energy: -281.923 where: short stacking energy: -142.832 Base-Backbone interact. energy: -0.059 local terms energy: -183.142766 where: bonds (distance) C4'-P energy: -55.001 bonds (distance) P-C4' energy: -49.465 flat angles C4'-P-C4' energy: -44.813 flat angles P-C4'-P energy: -32.615 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: 10, replica: 7 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -289.958629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.958629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.958629 (E_RNA) where: Base-Base interactions energy: -114.985 where: short stacking energy: -103.701 Base-Backbone interact. energy: 3.967 local terms energy: -178.940320 where: bonds (distance) C4'-P energy: -39.413 bonds (distance) P-C4' energy: -45.382 flat angles C4'-P-C4' energy: -51.642 flat angles P-C4'-P energy: -31.297 tors. eta vs tors. theta energy: -11.207 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: 1, replica: 9 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1159.724975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.724975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.724975 (E_RNA) where: Base-Base interactions energy: -815.067 where: short stacking energy: -331.251 Base-Backbone interact. energy: -1.816 local terms energy: -342.842082 where: bonds (distance) C4'-P energy: -59.804 bonds (distance) P-C4' energy: -66.649 flat angles C4'-P-C4' energy: -77.918 flat angles P-C4'-P energy: -48.565 tors. eta vs tors. theta energy: -89.905 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: 2, replica: 8 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1190.869283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.869283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.869283 (E_RNA) where: Base-Base interactions energy: -832.435 where: short stacking energy: -344.504 Base-Backbone interact. energy: -1.442 local terms energy: -356.992109 where: bonds (distance) C4'-P energy: -61.903 bonds (distance) P-C4' energy: -65.338 flat angles C4'-P-C4' energy: -78.371 flat angles P-C4'-P energy: -52.057 tors. eta vs tors. theta energy: -99.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1083.332482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.332482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.332482 (E_RNA) where: Base-Base interactions energy: -753.433 where: short stacking energy: -346.366 Base-Backbone interact. energy: 1.081 local terms energy: -330.979928 where: bonds (distance) C4'-P energy: -48.895 bonds (distance) P-C4' energy: -56.931 flat angles C4'-P-C4' energy: -68.758 flat angles P-C4'-P energy: -50.442 tors. eta vs tors. theta energy: -105.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1068.257202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.257202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.257202 (E_RNA) where: Base-Base interactions energy: -752.556 where: short stacking energy: -296.573 Base-Backbone interact. energy: -2.748 local terms energy: -312.952873 where: bonds (distance) C4'-P energy: -54.731 bonds (distance) P-C4' energy: -56.301 flat angles C4'-P-C4' energy: -72.678 flat angles P-C4'-P energy: -41.748 tors. eta vs tors. theta energy: -87.495 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: 5, replica: 10 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1041.886764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.886764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.886764 (E_RNA) where: Base-Base interactions energy: -727.477 where: short stacking energy: -299.019 Base-Backbone interact. energy: -1.560 local terms energy: -312.850111 where: bonds (distance) C4'-P energy: -62.072 bonds (distance) P-C4' energy: -55.064 flat angles C4'-P-C4' energy: -70.163 flat angles P-C4'-P energy: -38.152 tors. eta vs tors. theta energy: -87.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -943.040447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.040447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.040447 (E_RNA) where: Base-Base interactions energy: -626.210 where: short stacking energy: -251.169 Base-Backbone interact. energy: 0.046 local terms energy: -316.876786 where: bonds (distance) C4'-P energy: -65.305 bonds (distance) P-C4' energy: -67.528 flat angles C4'-P-C4' energy: -70.107 flat angles P-C4'-P energy: -43.215 tors. eta vs tors. theta energy: -70.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -850.664434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.664434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.664434 (E_RNA) where: Base-Base interactions energy: -575.253 where: short stacking energy: -257.082 Base-Backbone interact. energy: 1.503 local terms energy: -276.914602 where: bonds (distance) C4'-P energy: -48.815 bonds (distance) P-C4' energy: -55.447 flat angles C4'-P-C4' energy: -61.795 flat angles P-C4'-P energy: -35.705 tors. eta vs tors. theta energy: -75.154 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: 8, replica: 2 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -723.510272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.510272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.510272 (E_RNA) where: Base-Base interactions energy: -490.451 where: short stacking energy: -207.944 Base-Backbone interact. energy: -1.005 local terms energy: -232.054599 where: bonds (distance) C4'-P energy: -52.004 bonds (distance) P-C4' energy: -39.929 flat angles C4'-P-C4' energy: -62.717 flat angles P-C4'-P energy: -38.763 tors. eta vs tors. theta energy: -38.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -469.250686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.250686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.250686 (E_RNA) where: Base-Base interactions energy: -233.151 where: short stacking energy: -112.883 Base-Backbone interact. energy: -0.588 local terms energy: -235.511353 where: bonds (distance) C4'-P energy: -61.721 bonds (distance) P-C4' energy: -60.848 flat angles C4'-P-C4' energy: -55.079 flat angles P-C4'-P energy: -34.858 tors. eta vs tors. theta energy: -23.005 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: 7 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -277.630350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.630350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.630350 (E_RNA) where: Base-Base interactions energy: -89.008 where: short stacking energy: -71.651 Base-Backbone interact. energy: -0.739 local terms energy: -187.883684 where: bonds (distance) C4'-P energy: -67.158 bonds (distance) P-C4' energy: -62.605 flat angles C4'-P-C4' energy: -39.959 flat angles P-C4'-P energy: -21.130 tors. eta vs tors. theta energy: 2.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1147.470350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.470350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.470350 (E_RNA) where: Base-Base interactions energy: -805.217 where: short stacking energy: -337.871 Base-Backbone interact. energy: -0.957 local terms energy: -341.296614 where: bonds (distance) C4'-P energy: -51.125 bonds (distance) P-C4' energy: -66.533 flat angles C4'-P-C4' energy: -74.922 flat angles P-C4'-P energy: -53.439 tors. eta vs tors. theta energy: -95.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1198.244351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.244351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.244351 (E_RNA) where: Base-Base interactions energy: -829.927 where: short stacking energy: -346.666 Base-Backbone interact. energy: -1.820 local terms energy: -366.497539 where: bonds (distance) C4'-P energy: -65.988 bonds (distance) P-C4' energy: -65.378 flat angles C4'-P-C4' energy: -79.771 flat angles P-C4'-P energy: -50.286 tors. eta vs tors. theta energy: -105.074 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: 3 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1073.815723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.815723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.815723 (E_RNA) where: Base-Base interactions energy: -722.094 where: short stacking energy: -337.946 Base-Backbone interact. energy: -0.289 local terms energy: -351.432858 where: bonds (distance) C4'-P energy: -62.362 bonds (distance) P-C4' energy: -59.197 flat angles C4'-P-C4' energy: -72.950 flat angles P-C4'-P energy: -49.885 tors. eta vs tors. theta energy: -107.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1057.394566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.394566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.394566 (E_RNA) where: Base-Base interactions energy: -727.002 where: short stacking energy: -298.783 Base-Backbone interact. energy: -1.352 local terms energy: -329.040732 where: bonds (distance) C4'-P energy: -55.808 bonds (distance) P-C4' energy: -65.899 flat angles C4'-P-C4' energy: -73.538 flat angles P-C4'-P energy: -41.901 tors. eta vs tors. theta energy: -91.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1042.342473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.342473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.342473 (E_RNA) where: Base-Base interactions energy: -742.150 where: short stacking energy: -293.691 Base-Backbone interact. energy: -2.357 local terms energy: -297.835332 where: bonds (distance) C4'-P energy: -49.069 bonds (distance) P-C4' energy: -63.165 flat angles C4'-P-C4' energy: -62.802 flat angles P-C4'-P energy: -42.846 tors. eta vs tors. theta energy: -79.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -933.275401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.275401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.275401 (E_RNA) where: Base-Base interactions energy: -628.836 where: short stacking energy: -275.781 Base-Backbone interact. energy: -0.100 local terms energy: -304.338877 where: bonds (distance) C4'-P energy: -58.060 bonds (distance) P-C4' energy: -58.075 flat angles C4'-P-C4' energy: -59.761 flat angles P-C4'-P energy: -43.667 tors. eta vs tors. theta energy: -84.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -858.594613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.594613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.594613 (E_RNA) where: Base-Base interactions energy: -582.197 where: short stacking energy: -250.180 Base-Backbone interact. energy: 0.272 local terms energy: -276.669756 where: bonds (distance) C4'-P energy: -50.315 bonds (distance) P-C4' energy: -53.396 flat angles C4'-P-C4' energy: -59.087 flat angles P-C4'-P energy: -42.792 tors. eta vs tors. theta energy: -71.080 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: 8, replica: 2 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -727.211612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.211612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.211612 (E_RNA) where: Base-Base interactions energy: -473.473 where: short stacking energy: -202.647 Base-Backbone interact. energy: -1.530 local terms energy: -252.209118 where: bonds (distance) C4'-P energy: -54.316 bonds (distance) P-C4' energy: -61.202 flat angles C4'-P-C4' energy: -57.551 flat angles P-C4'-P energy: -30.225 tors. eta vs tors. theta energy: -48.916 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: 9, replica: 5 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -466.807477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.807477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.807477 (E_RNA) where: Base-Base interactions energy: -266.980 where: short stacking energy: -121.178 Base-Backbone interact. energy: -1.557 local terms energy: -198.269678 where: bonds (distance) C4'-P energy: -55.705 bonds (distance) P-C4' energy: -54.859 flat angles C4'-P-C4' energy: -62.684 flat angles P-C4'-P energy: -20.201 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: 10, replica: 7 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -298.599850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.599850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.599850 (E_RNA) where: Base-Base interactions energy: -127.185 where: short stacking energy: -114.862 Base-Backbone interact. energy: -0.678 local terms energy: -170.736859 where: bonds (distance) C4'-P energy: -53.662 bonds (distance) P-C4' energy: -50.549 flat angles C4'-P-C4' energy: -41.893 flat angles P-C4'-P energy: -27.409 tors. eta vs tors. theta energy: 2.776 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: 1, replica: 8 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1217.209984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.209984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.209984 (E_RNA) where: Base-Base interactions energy: -847.350 where: short stacking energy: -358.210 Base-Backbone interact. energy: -0.961 local terms energy: -368.899244 where: bonds (distance) C4'-P energy: -61.847 bonds (distance) P-C4' energy: -64.689 flat angles C4'-P-C4' energy: -78.853 flat angles P-C4'-P energy: -53.491 tors. eta vs tors. theta energy: -110.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1140.619335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.619335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.619335 (E_RNA) where: Base-Base interactions energy: -782.784 where: short stacking energy: -327.387 Base-Backbone interact. energy: -1.622 local terms energy: -356.213200 where: bonds (distance) C4'-P energy: -61.658 bonds (distance) P-C4' energy: -71.703 flat angles C4'-P-C4' energy: -76.831 flat angles P-C4'-P energy: -51.888 tors. eta vs tors. theta energy: -94.132 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: 1 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1115.091994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.091994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.091994 (E_RNA) where: Base-Base interactions energy: -781.742 where: short stacking energy: -319.459 Base-Backbone interact. energy: -1.653 local terms energy: -331.697263 where: bonds (distance) C4'-P energy: -58.991 bonds (distance) P-C4' energy: -67.431 flat angles C4'-P-C4' energy: -71.677 flat angles P-C4'-P energy: -46.521 tors. eta vs tors. theta energy: -87.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1046.203225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.203225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.203225 (E_RNA) where: Base-Base interactions energy: -711.136 where: short stacking energy: -312.918 Base-Backbone interact. energy: 1.554 local terms energy: -336.620960 where: bonds (distance) C4'-P energy: -62.189 bonds (distance) P-C4' energy: -67.558 flat angles C4'-P-C4' energy: -68.496 flat angles P-C4'-P energy: -47.374 tors. eta vs tors. theta energy: -91.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1033.446939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.446939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.446939 (E_RNA) where: Base-Base interactions energy: -719.295 where: short stacking energy: -313.682 Base-Backbone interact. energy: 0.380 local terms energy: -314.531777 where: bonds (distance) C4'-P energy: -63.769 bonds (distance) P-C4' energy: -64.576 flat angles C4'-P-C4' energy: -68.297 flat angles P-C4'-P energy: -40.504 tors. eta vs tors. theta energy: -77.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -928.347937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.347937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.347937 (E_RNA) where: Base-Base interactions energy: -657.102 where: short stacking energy: -274.524 Base-Backbone interact. energy: 5.347 local terms energy: -276.593099 where: bonds (distance) C4'-P energy: -58.922 bonds (distance) P-C4' energy: -47.891 flat angles C4'-P-C4' energy: -56.110 flat angles P-C4'-P energy: -43.347 tors. eta vs tors. theta energy: -70.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -831.182698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.182698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.182698 (E_RNA) where: Base-Base interactions energy: -563.271 where: short stacking energy: -241.746 Base-Backbone interact. energy: -1.077 local terms energy: -266.834199 where: bonds (distance) C4'-P energy: -42.455 bonds (distance) P-C4' energy: -56.653 flat angles C4'-P-C4' energy: -58.548 flat angles P-C4'-P energy: -43.150 tors. eta vs tors. theta energy: -66.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -706.729802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.729802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.729802 (E_RNA) where: Base-Base interactions energy: -447.470 where: short stacking energy: -214.016 Base-Backbone interact. energy: 1.298 local terms energy: -260.557198 where: bonds (distance) C4'-P energy: -52.459 bonds (distance) P-C4' energy: -59.329 flat angles C4'-P-C4' energy: -55.987 flat angles P-C4'-P energy: -45.071 tors. eta vs tors. theta energy: -47.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -443.367793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.367793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.367793 (E_RNA) where: Base-Base interactions energy: -250.174 where: short stacking energy: -126.919 Base-Backbone interact. energy: 1.030 local terms energy: -194.223153 where: bonds (distance) C4'-P energy: -53.394 bonds (distance) P-C4' energy: -56.453 flat angles C4'-P-C4' energy: -51.126 flat angles P-C4'-P energy: -25.624 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: 7 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -286.425650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.425650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.425650 (E_RNA) where: Base-Base interactions energy: -118.071 where: short stacking energy: -87.635 Base-Backbone interact. energy: -0.117 local terms energy: -168.237249 where: bonds (distance) C4'-P energy: -55.706 bonds (distance) P-C4' energy: -45.987 flat angles C4'-P-C4' energy: -44.763 flat angles P-C4'-P energy: -23.603 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: 1, replica: 8 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1218.745913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.745913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.745913 (E_RNA) where: Base-Base interactions energy: -844.052 where: short stacking energy: -347.382 Base-Backbone interact. energy: -2.163 local terms energy: -372.531378 where: bonds (distance) C4'-P energy: -65.487 bonds (distance) P-C4' energy: -71.306 flat angles C4'-P-C4' energy: -79.818 flat angles P-C4'-P energy: -51.459 tors. eta vs tors. theta energy: -104.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1114.728889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.728889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.728889 (E_RNA) where: Base-Base interactions energy: -787.465 where: short stacking energy: -307.756 Base-Backbone interact. energy: -1.078 local terms energy: -326.185691 where: bonds (distance) C4'-P energy: -61.406 bonds (distance) P-C4' energy: -62.868 flat angles C4'-P-C4' energy: -67.111 flat angles P-C4'-P energy: -50.523 tors. eta vs tors. theta energy: -84.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1097.856861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.856861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.856861 (E_RNA) where: Base-Base interactions energy: -760.159 where: short stacking energy: -312.752 Base-Backbone interact. energy: -0.718 local terms energy: -336.979578 where: bonds (distance) C4'-P energy: -56.585 bonds (distance) P-C4' energy: -65.897 flat angles C4'-P-C4' energy: -73.784 flat angles P-C4'-P energy: -49.959 tors. eta vs tors. theta energy: -90.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1033.658011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.658011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.658011 (E_RNA) where: Base-Base interactions energy: -706.792 where: short stacking energy: -333.734 Base-Backbone interact. energy: -0.905 local terms energy: -325.961245 where: bonds (distance) C4'-P energy: -59.197 bonds (distance) P-C4' energy: -60.093 flat angles C4'-P-C4' energy: -66.287 flat angles P-C4'-P energy: -45.262 tors. eta vs tors. theta energy: -95.122 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: 10 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1033.206284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.206284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.206284 (E_RNA) where: Base-Base interactions energy: -726.808 where: short stacking energy: -305.984 Base-Backbone interact. energy: 1.160 local terms energy: -307.558030 where: bonds (distance) C4'-P energy: -58.753 bonds (distance) P-C4' energy: -58.652 flat angles C4'-P-C4' energy: -63.282 flat angles P-C4'-P energy: -45.099 tors. eta vs tors. theta energy: -81.772 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: 6, replica: 4 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -912.387785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.387785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.387785 (E_RNA) where: Base-Base interactions energy: -601.698 where: short stacking energy: -263.608 Base-Backbone interact. energy: -0.068 local terms energy: -310.621888 where: bonds (distance) C4'-P energy: -66.345 bonds (distance) P-C4' energy: -68.161 flat angles C4'-P-C4' energy: -63.262 flat angles P-C4'-P energy: -38.915 tors. eta vs tors. theta energy: -73.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -865.427931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.427931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.427931 (E_RNA) where: Base-Base interactions energy: -578.000 where: short stacking energy: -248.897 Base-Backbone interact. energy: -2.327 local terms energy: -285.101724 where: bonds (distance) C4'-P energy: -53.327 bonds (distance) P-C4' energy: -66.320 flat angles C4'-P-C4' energy: -58.999 flat angles P-C4'-P energy: -37.706 tors. eta vs tors. theta energy: -68.750 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: 8, replica: 2 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -695.987796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.987796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.987796 (E_RNA) where: Base-Base interactions energy: -446.586 where: short stacking energy: -195.737 Base-Backbone interact. energy: -2.870 local terms energy: -246.532111 where: bonds (distance) C4'-P energy: -53.460 bonds (distance) P-C4' energy: -50.669 flat angles C4'-P-C4' energy: -55.363 flat angles P-C4'-P energy: -31.839 tors. eta vs tors. theta energy: -55.201 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: 5 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -470.840719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.840719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.840719 (E_RNA) where: Base-Base interactions energy: -281.034 where: short stacking energy: -146.482 Base-Backbone interact. energy: -1.746 local terms energy: -188.060555 where: bonds (distance) C4'-P energy: -41.243 bonds (distance) P-C4' energy: -39.099 flat angles C4'-P-C4' energy: -53.086 flat angles P-C4'-P energy: -36.767 tors. eta vs tors. theta energy: -17.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -265.134111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.134111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.134111 (E_RNA) where: Base-Base interactions energy: -102.515 where: short stacking energy: -90.711 Base-Backbone interact. energy: -0.792 local terms energy: -161.827217 where: bonds (distance) C4'-P energy: -50.796 bonds (distance) P-C4' energy: -46.430 flat angles C4'-P-C4' energy: -51.367 flat angles P-C4'-P energy: -26.276 tors. eta vs tors. theta energy: 13.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1216.387449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.387449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.387449 (E_RNA) where: Base-Base interactions energy: -841.329 where: short stacking energy: -340.146 Base-Backbone interact. energy: -4.086 local terms energy: -370.973015 where: bonds (distance) C4'-P energy: -66.873 bonds (distance) P-C4' energy: -73.300 flat angles C4'-P-C4' energy: -73.264 flat angles P-C4'-P energy: -52.169 tors. eta vs tors. theta energy: -105.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1134.404822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.404822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.404822 (E_RNA) where: Base-Base interactions energy: -802.548 where: short stacking energy: -319.389 Base-Backbone interact. energy: -2.214 local terms energy: -329.642888 where: bonds (distance) C4'-P energy: -63.461 bonds (distance) P-C4' energy: -68.315 flat angles C4'-P-C4' energy: -63.258 flat angles P-C4'-P energy: -50.001 tors. eta vs tors. theta energy: -84.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1088.025160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.025160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.025160 (E_RNA) where: Base-Base interactions energy: -768.051 where: short stacking energy: -317.954 Base-Backbone interact. energy: 0.006 local terms energy: -319.980340 where: bonds (distance) C4'-P energy: -43.019 bonds (distance) P-C4' energy: -70.289 flat angles C4'-P-C4' energy: -68.349 flat angles P-C4'-P energy: -51.555 tors. eta vs tors. theta energy: -86.768 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: 3 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1033.246651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.246651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.246651 (E_RNA) where: Base-Base interactions energy: -711.170 where: short stacking energy: -337.960 Base-Backbone interact. energy: -0.884 local terms energy: -321.193131 where: bonds (distance) C4'-P energy: -60.611 bonds (distance) P-C4' energy: -46.378 flat angles C4'-P-C4' energy: -73.681 flat angles P-C4'-P energy: -42.205 tors. eta vs tors. theta energy: -98.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1006.261489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.261489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.261489 (E_RNA) where: Base-Base interactions energy: -685.943 where: short stacking energy: -293.773 Base-Backbone interact. energy: -1.333 local terms energy: -318.985931 where: bonds (distance) C4'-P energy: -60.819 bonds (distance) P-C4' energy: -58.016 flat angles C4'-P-C4' energy: -69.793 flat angles P-C4'-P energy: -48.851 tors. eta vs tors. theta energy: -81.507 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: 4 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -953.054418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.054418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.054418 (E_RNA) where: Base-Base interactions energy: -649.230 where: short stacking energy: -279.934 Base-Backbone interact. energy: -2.327 local terms energy: -301.497402 where: bonds (distance) C4'-P energy: -54.863 bonds (distance) P-C4' energy: -53.447 flat angles C4'-P-C4' energy: -69.402 flat angles P-C4'-P energy: -45.728 tors. eta vs tors. theta energy: -78.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -797.842824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.842824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.842824 (E_RNA) where: Base-Base interactions energy: -538.136 where: short stacking energy: -220.915 Base-Backbone interact. energy: -0.752 local terms energy: -258.954729 where: bonds (distance) C4'-P energy: -47.734 bonds (distance) P-C4' energy: -57.699 flat angles C4'-P-C4' energy: -49.869 flat angles P-C4'-P energy: -42.929 tors. eta vs tors. theta energy: -60.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -723.454971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.454971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.454971 (E_RNA) where: Base-Base interactions energy: -462.691 where: short stacking energy: -220.203 Base-Backbone interact. energy: -1.009 local terms energy: -259.755783 where: bonds (distance) C4'-P energy: -57.762 bonds (distance) P-C4' energy: -60.016 flat angles C4'-P-C4' energy: -53.093 flat angles P-C4'-P energy: -43.636 tors. eta vs tors. theta energy: -45.249 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: 5 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -489.195899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.195899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.195899 (E_RNA) where: Base-Base interactions energy: -273.460 where: short stacking energy: -146.843 Base-Backbone interact. energy: -2.607 local terms energy: -213.129150 where: bonds (distance) C4'-P energy: -42.227 bonds (distance) P-C4' energy: -53.996 flat angles C4'-P-C4' energy: -57.689 flat angles P-C4'-P energy: -37.567 tors. eta vs tors. theta energy: -21.649 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: 7 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -275.889807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.889807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.889807 (E_RNA) where: Base-Base interactions energy: -100.703 where: short stacking energy: -71.994 Base-Backbone interact. energy: -0.792 local terms energy: -174.394500 where: bonds (distance) C4'-P energy: -44.752 bonds (distance) P-C4' energy: -56.469 flat angles C4'-P-C4' energy: -53.459 flat angles P-C4'-P energy: -22.868 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: 1, replica: 8 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1206.737285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.737285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.737285 (E_RNA) where: Base-Base interactions energy: -835.193 where: short stacking energy: -341.605 Base-Backbone interact. energy: -2.096 local terms energy: -369.448526 where: bonds (distance) C4'-P energy: -69.819 bonds (distance) P-C4' energy: -64.238 flat angles C4'-P-C4' energy: -77.904 flat angles P-C4'-P energy: -50.095 tors. eta vs tors. theta energy: -107.392 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: 493 Temperature: 0.950000 Total energy: -1112.773984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.773984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.773984 (E_RNA) where: Base-Base interactions energy: -773.696 where: short stacking energy: -313.783 Base-Backbone interact. energy: -1.925 local terms energy: -337.153257 where: bonds (distance) C4'-P energy: -52.905 bonds (distance) P-C4' energy: -69.307 flat angles C4'-P-C4' energy: -68.143 flat angles P-C4'-P energy: -56.015 tors. eta vs tors. theta energy: -90.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1094.224522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.224522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.224522 (E_RNA) where: Base-Base interactions energy: -753.546 where: short stacking energy: -316.460 Base-Backbone interact. energy: -2.678 local terms energy: -338.000132 where: bonds (distance) C4'-P energy: -64.674 bonds (distance) P-C4' energy: -68.116 flat angles C4'-P-C4' energy: -70.114 flat angles P-C4'-P energy: -48.994 tors. eta vs tors. theta energy: -86.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1033.557798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.557798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.557798 (E_RNA) where: Base-Base interactions energy: -678.453 where: short stacking energy: -297.269 Base-Backbone interact. energy: -0.891 local terms energy: -354.213212 where: bonds (distance) C4'-P energy: -63.811 bonds (distance) P-C4' energy: -76.455 flat angles C4'-P-C4' energy: -65.563 flat angles P-C4'-P energy: -49.080 tors. eta vs tors. theta energy: -99.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1015.197315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.197315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.197315 (E_RNA) where: Base-Base interactions energy: -710.712 where: short stacking energy: -286.401 Base-Backbone interact. energy: -2.567 local terms energy: -301.918558 where: bonds (distance) C4'-P energy: -59.154 bonds (distance) P-C4' energy: -61.053 flat angles C4'-P-C4' energy: -58.961 flat angles P-C4'-P energy: -39.993 tors. eta vs tors. theta energy: -82.757 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: 6, replica: 4 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -947.882973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.882973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.882973 (E_RNA) where: Base-Base interactions energy: -642.913 where: short stacking energy: -277.658 Base-Backbone interact. energy: 1.834 local terms energy: -306.804610 where: bonds (distance) C4'-P energy: -53.274 bonds (distance) P-C4' energy: -66.440 flat angles C4'-P-C4' energy: -69.551 flat angles P-C4'-P energy: -32.958 tors. eta vs tors. theta energy: -84.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -783.896912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.896912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.896912 (E_RNA) where: Base-Base interactions energy: -533.687 where: short stacking energy: -224.033 Base-Backbone interact. energy: 0.078 local terms energy: -250.288065 where: bonds (distance) C4'-P energy: -45.656 bonds (distance) P-C4' energy: -63.786 flat angles C4'-P-C4' energy: -50.824 flat angles P-C4'-P energy: -31.991 tors. eta vs tors. theta energy: -58.030 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: 2 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -724.848833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.848833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.848833 (E_RNA) where: Base-Base interactions energy: -468.909 where: short stacking energy: -206.788 Base-Backbone interact. energy: -1.176 local terms energy: -254.763685 where: bonds (distance) C4'-P energy: -60.394 bonds (distance) P-C4' energy: -58.644 flat angles C4'-P-C4' energy: -50.713 flat angles P-C4'-P energy: -38.558 tors. eta vs tors. theta energy: -46.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -500.349614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.349614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.349614 (E_RNA) where: Base-Base interactions energy: -277.870 where: short stacking energy: -146.288 Base-Backbone interact. energy: -1.757 local terms energy: -220.722959 where: bonds (distance) C4'-P energy: -60.099 bonds (distance) P-C4' energy: -55.606 flat angles C4'-P-C4' energy: -53.659 flat angles P-C4'-P energy: -34.761 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: 10, replica: 7 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -276.204125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.204125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.204125 (E_RNA) where: Base-Base interactions energy: -86.383 where: short stacking energy: -85.308 Base-Backbone interact. energy: -1.749 local terms energy: -188.072207 where: bonds (distance) C4'-P energy: -61.110 bonds (distance) P-C4' energy: -62.304 flat angles C4'-P-C4' energy: -52.304 flat angles P-C4'-P energy: -17.314 tors. eta vs tors. theta energy: 4.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1198.397943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.397943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.397943 (E_RNA) where: Base-Base interactions energy: -845.115 where: short stacking energy: -343.047 Base-Backbone interact. energy: -2.235 local terms energy: -351.047631 where: bonds (distance) C4'-P energy: -65.587 bonds (distance) P-C4' energy: -69.349 flat angles C4'-P-C4' energy: -67.591 flat angles P-C4'-P energy: -40.331 tors. eta vs tors. theta energy: -108.189 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: 2, replica: 9 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1119.107783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.107783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.107783 (E_RNA) where: Base-Base interactions energy: -776.203 where: short stacking energy: -318.917 Base-Backbone interact. energy: -0.925 local terms energy: -341.979034 where: bonds (distance) C4'-P energy: -63.455 bonds (distance) P-C4' energy: -64.582 flat angles C4'-P-C4' energy: -79.282 flat angles P-C4'-P energy: -48.649 tors. eta vs tors. theta energy: -86.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1100.215314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.215314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.215314 (E_RNA) where: Base-Base interactions energy: -778.356 where: short stacking energy: -320.396 Base-Backbone interact. energy: 3.105 local terms energy: -324.963697 where: bonds (distance) C4'-P energy: -61.210 bonds (distance) P-C4' energy: -55.204 flat angles C4'-P-C4' energy: -73.097 flat angles P-C4'-P energy: -46.894 tors. eta vs tors. theta energy: -88.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1002.270412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.270412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.270412 (E_RNA) where: Base-Base interactions energy: -684.996 where: short stacking energy: -317.531 Base-Backbone interact. energy: -1.435 local terms energy: -315.839969 where: bonds (distance) C4'-P energy: -55.114 bonds (distance) P-C4' energy: -61.998 flat angles C4'-P-C4' energy: -69.728 flat angles P-C4'-P energy: -39.272 tors. eta vs tors. theta energy: -89.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -989.010163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.010163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.010163 (E_RNA) where: Base-Base interactions energy: -677.411 where: short stacking energy: -293.112 Base-Backbone interact. energy: -0.765 local terms energy: -310.834022 where: bonds (distance) C4'-P energy: -56.097 bonds (distance) P-C4' energy: -61.751 flat angles C4'-P-C4' energy: -68.048 flat angles P-C4'-P energy: -44.209 tors. eta vs tors. theta energy: -80.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -938.786611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.786611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.786611 (E_RNA) where: Base-Base interactions energy: -654.926 where: short stacking energy: -253.254 Base-Backbone interact. energy: -1.519 local terms energy: -282.341810 where: bonds (distance) C4'-P energy: -64.198 bonds (distance) P-C4' energy: -49.843 flat angles C4'-P-C4' energy: -67.430 flat angles P-C4'-P energy: -33.078 tors. eta vs tors. theta energy: -67.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -821.675675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.675675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.675675 (E_RNA) where: Base-Base interactions energy: -544.047 where: short stacking energy: -228.424 Base-Backbone interact. energy: 0.147 local terms energy: -277.775527 where: bonds (distance) C4'-P energy: -56.395 bonds (distance) P-C4' energy: -59.444 flat angles C4'-P-C4' energy: -63.337 flat angles P-C4'-P energy: -37.147 tors. eta vs tors. theta energy: -61.452 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: 8, replica: 2 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -732.470732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.470732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.470732 (E_RNA) where: Base-Base interactions energy: -472.971 where: short stacking energy: -201.971 Base-Backbone interact. energy: -1.721 local terms energy: -257.779052 where: bonds (distance) C4'-P energy: -46.418 bonds (distance) P-C4' energy: -63.495 flat angles C4'-P-C4' energy: -61.280 flat angles P-C4'-P energy: -40.248 tors. eta vs tors. theta energy: -46.337 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: 5 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -468.697531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.697531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.697531 (E_RNA) where: Base-Base interactions energy: -254.623 where: short stacking energy: -129.135 Base-Backbone interact. energy: -0.251 local terms energy: -213.823404 where: bonds (distance) C4'-P energy: -54.922 bonds (distance) P-C4' energy: -55.934 flat angles C4'-P-C4' energy: -53.126 flat angles P-C4'-P energy: -28.982 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: 10, replica: 7 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -287.343077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.343077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.343077 (E_RNA) where: Base-Base interactions energy: -99.465 where: short stacking energy: -91.127 Base-Backbone interact. energy: -1.912 local terms energy: -185.966504 where: bonds (distance) C4'-P energy: -49.260 bonds (distance) P-C4' energy: -63.282 flat angles C4'-P-C4' energy: -50.781 flat angles P-C4'-P energy: -22.227 tors. eta vs tors. theta energy: -0.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1208.209868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.209868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.209868 (E_RNA) where: Base-Base interactions energy: -849.811 where: short stacking energy: -347.449 Base-Backbone interact. energy: -1.545 local terms energy: -356.853205 where: bonds (distance) C4'-P energy: -63.044 bonds (distance) P-C4' energy: -71.988 flat angles C4'-P-C4' energy: -73.869 flat angles P-C4'-P energy: -48.040 tors. eta vs tors. theta energy: -99.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1096.763393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.763393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.763393 (E_RNA) where: Base-Base interactions energy: -754.460 where: short stacking energy: -310.902 Base-Backbone interact. energy: -1.527 local terms energy: -340.776131 where: bonds (distance) C4'-P energy: -63.288 bonds (distance) P-C4' energy: -72.091 flat angles C4'-P-C4' energy: -77.321 flat angles P-C4'-P energy: -49.769 tors. eta vs tors. theta energy: -78.308 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: 495 Temperature: 1.000000 Total energy: -1113.258932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.258932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.258932 (E_RNA) where: Base-Base interactions energy: -777.492 where: short stacking energy: -311.331 Base-Backbone interact. energy: -2.493 local terms energy: -333.273373 where: bonds (distance) C4'-P energy: -65.049 bonds (distance) P-C4' energy: -67.235 flat angles C4'-P-C4' energy: -68.410 flat angles P-C4'-P energy: -49.326 tors. eta vs tors. theta energy: -83.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1047.887344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.887344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.887344 (E_RNA) where: Base-Base interactions energy: -719.125 where: short stacking energy: -323.892 Base-Backbone interact. energy: -0.826 local terms energy: -327.936856 where: bonds (distance) C4'-P energy: -57.122 bonds (distance) P-C4' energy: -53.338 flat angles C4'-P-C4' energy: -65.282 flat angles P-C4'-P energy: -48.160 tors. eta vs tors. theta energy: -104.035 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: 10 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -963.894552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.894552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.894552 (E_RNA) where: Base-Base interactions energy: -667.749 where: short stacking energy: -280.083 Base-Backbone interact. energy: 0.140 local terms energy: -296.285120 where: bonds (distance) C4'-P energy: -58.394 bonds (distance) P-C4' energy: -59.189 flat angles C4'-P-C4' energy: -62.359 flat angles P-C4'-P energy: -41.650 tors. eta vs tors. theta energy: -74.693 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: 4 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -930.739251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.739251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.739251 (E_RNA) where: Base-Base interactions energy: -628.532 where: short stacking energy: -259.459 Base-Backbone interact. energy: -1.154 local terms energy: -301.053734 where: bonds (distance) C4'-P energy: -56.042 bonds (distance) P-C4' energy: -57.987 flat angles C4'-P-C4' energy: -66.789 flat angles P-C4'-P energy: -45.355 tors. eta vs tors. theta energy: -74.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -856.195411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.195411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.195411 (E_RNA) where: Base-Base interactions energy: -591.700 where: short stacking energy: -253.257 Base-Backbone interact. energy: -1.574 local terms energy: -262.920665 where: bonds (distance) C4'-P energy: -59.567 bonds (distance) P-C4' energy: -57.221 flat angles C4'-P-C4' energy: -47.990 flat angles P-C4'-P energy: -33.799 tors. eta vs tors. theta energy: -64.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -694.664102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.664102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.664102 (E_RNA) where: Base-Base interactions energy: -437.707 where: short stacking energy: -191.665 Base-Backbone interact. energy: -0.903 local terms energy: -256.053685 where: bonds (distance) C4'-P energy: -68.466 bonds (distance) P-C4' energy: -53.492 flat angles C4'-P-C4' energy: -55.494 flat angles P-C4'-P energy: -44.036 tors. eta vs tors. theta energy: -34.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -475.914250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.914250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.914250 (E_RNA) where: Base-Base interactions energy: -268.741 where: short stacking energy: -140.700 Base-Backbone interact. energy: -0.985 local terms energy: -206.187640 where: bonds (distance) C4'-P energy: -48.228 bonds (distance) P-C4' energy: -53.055 flat angles C4'-P-C4' energy: -58.410 flat angles P-C4'-P energy: -28.486 tors. eta vs tors. theta energy: -18.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -307.705732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.705732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.705732 (E_RNA) where: Base-Base interactions energy: -126.715 where: short stacking energy: -73.950 Base-Backbone interact. energy: -0.676 local terms energy: -180.314621 where: bonds (distance) C4'-P energy: -57.594 bonds (distance) P-C4' energy: -47.673 flat angles C4'-P-C4' energy: -54.702 flat angles P-C4'-P energy: -30.585 tors. eta vs tors. theta energy: 10.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1211.584997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.584997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.584997 (E_RNA) where: Base-Base interactions energy: -847.861 where: short stacking energy: -357.164 Base-Backbone interact. energy: -1.709 local terms energy: -362.015102 where: bonds (distance) C4'-P energy: -69.816 bonds (distance) P-C4' energy: -71.467 flat angles C4'-P-C4' energy: -75.015 flat angles P-C4'-P energy: -40.516 tors. eta vs tors. theta energy: -105.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1102.640186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.640186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.640186 (E_RNA) where: Base-Base interactions energy: -775.746 where: short stacking energy: -321.503 Base-Backbone interact. energy: -2.207 local terms energy: -324.687602 where: bonds (distance) C4'-P energy: -60.630 bonds (distance) P-C4' energy: -46.099 flat angles C4'-P-C4' energy: -71.742 flat angles P-C4'-P energy: -53.913 tors. eta vs tors. theta energy: -92.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1061.131174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.131174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.131174 (E_RNA) where: Base-Base interactions energy: -726.174 where: short stacking energy: -333.034 Base-Backbone interact. energy: -1.746 local terms energy: -333.211177 where: bonds (distance) C4'-P energy: -54.223 bonds (distance) P-C4' energy: -66.881 flat angles C4'-P-C4' energy: -67.413 flat angles P-C4'-P energy: -44.864 tors. eta vs tors. theta energy: -99.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1062.406628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.406628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.406628 (E_RNA) where: Base-Base interactions energy: -740.814 where: short stacking energy: -299.603 Base-Backbone interact. energy: -0.700 local terms energy: -320.892883 where: bonds (distance) C4'-P energy: -60.038 bonds (distance) P-C4' energy: -62.983 flat angles C4'-P-C4' energy: -69.891 flat angles P-C4'-P energy: -40.356 tors. eta vs tors. theta energy: -87.626 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: 4 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -997.152734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.152734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.152734 (E_RNA) where: Base-Base interactions energy: -686.511 where: short stacking energy: -276.994 Base-Backbone interact. energy: 0.221 local terms energy: -310.862227 where: bonds (distance) C4'-P energy: -59.284 bonds (distance) P-C4' energy: -58.474 flat angles C4'-P-C4' energy: -66.005 flat angles P-C4'-P energy: -52.933 tors. eta vs tors. theta energy: -74.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -968.027963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.027963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.027963 (E_RNA) where: Base-Base interactions energy: -679.626 where: short stacking energy: -279.028 Base-Backbone interact. energy: -1.365 local terms energy: -287.036353 where: bonds (distance) C4'-P energy: -53.141 bonds (distance) P-C4' energy: -54.210 flat angles C4'-P-C4' energy: -59.743 flat angles P-C4'-P energy: -41.514 tors. eta vs tors. theta energy: -78.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -775.325033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.325033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.325033 (E_RNA) where: Base-Base interactions energy: -516.774 where: short stacking energy: -222.378 Base-Backbone interact. energy: -0.786 local terms energy: -257.765122 where: bonds (distance) C4'-P energy: -49.621 bonds (distance) P-C4' energy: -56.416 flat angles C4'-P-C4' energy: -55.877 flat angles P-C4'-P energy: -43.424 tors. eta vs tors. theta energy: -52.427 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: 8, replica: 2 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -693.323721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.323721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.323721 (E_RNA) where: Base-Base interactions energy: -450.968 where: short stacking energy: -202.019 Base-Backbone interact. energy: -1.431 local terms energy: -240.924558 where: bonds (distance) C4'-P energy: -39.862 bonds (distance) P-C4' energy: -52.968 flat angles C4'-P-C4' energy: -57.887 flat angles P-C4'-P energy: -39.501 tors. eta vs tors. theta energy: -50.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -485.938470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.938470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.938470 (E_RNA) where: Base-Base interactions energy: -264.806 where: short stacking energy: -147.537 Base-Backbone interact. energy: -1.334 local terms energy: -219.797861 where: bonds (distance) C4'-P energy: -59.080 bonds (distance) P-C4' energy: -61.172 flat angles C4'-P-C4' energy: -49.348 flat angles P-C4'-P energy: -36.573 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: 10, replica: 7 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -328.583486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.583486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.583486 (E_RNA) where: Base-Base interactions energy: -161.254 where: short stacking energy: -100.246 Base-Backbone interact. energy: 1.941 local terms energy: -169.270954 where: bonds (distance) C4'-P energy: -50.811 bonds (distance) P-C4' energy: -59.255 flat angles C4'-P-C4' energy: -49.430 flat angles P-C4'-P energy: -12.672 tors. eta vs tors. theta energy: 2.897 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: 8 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1199.807900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.807900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.807900 (E_RNA) where: Base-Base interactions energy: -834.827 where: short stacking energy: -342.887 Base-Backbone interact. energy: -2.931 local terms energy: -362.050050 where: bonds (distance) C4'-P energy: -62.396 bonds (distance) P-C4' energy: -63.353 flat angles C4'-P-C4' energy: -79.919 flat angles P-C4'-P energy: -57.803 tors. eta vs tors. theta energy: -98.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1108.210166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.210166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.210166 (E_RNA) where: Base-Base interactions energy: -777.270 where: short stacking energy: -352.995 Base-Backbone interact. energy: -1.112 local terms energy: -329.827710 where: bonds (distance) C4'-P energy: -51.073 bonds (distance) P-C4' energy: -57.859 flat angles C4'-P-C4' energy: -72.005 flat angles P-C4'-P energy: -46.409 tors. eta vs tors. theta energy: -102.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1084.428074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.428074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.428074 (E_RNA) where: Base-Base interactions energy: -753.286 where: short stacking energy: -314.602 Base-Backbone interact. energy: -1.984 local terms energy: -329.157206 where: bonds (distance) C4'-P energy: -62.729 bonds (distance) P-C4' energy: -58.016 flat angles C4'-P-C4' energy: -68.267 flat angles P-C4'-P energy: -47.868 tors. eta vs tors. theta energy: -92.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1061.212346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.212346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.212346 (E_RNA) where: Base-Base interactions energy: -749.085 where: short stacking energy: -304.583 Base-Backbone interact. energy: -0.456 local terms energy: -311.670683 where: bonds (distance) C4'-P energy: -58.669 bonds (distance) P-C4' energy: -55.728 flat angles C4'-P-C4' energy: -65.132 flat angles P-C4'-P energy: -50.120 tors. eta vs tors. theta energy: -82.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -989.012991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.012991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.012991 (E_RNA) where: Base-Base interactions energy: -685.022 where: short stacking energy: -276.318 Base-Backbone interact. energy: -0.696 local terms energy: -303.294997 where: bonds (distance) C4'-P energy: -61.852 bonds (distance) P-C4' energy: -60.041 flat angles C4'-P-C4' energy: -70.502 flat angles P-C4'-P energy: -35.229 tors. eta vs tors. theta energy: -75.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -967.166330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.166330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.166330 (E_RNA) where: Base-Base interactions energy: -681.782 where: short stacking energy: -296.710 Base-Backbone interact. energy: -1.290 local terms energy: -284.094500 where: bonds (distance) C4'-P energy: -52.546 bonds (distance) P-C4' energy: -51.405 flat angles C4'-P-C4' energy: -61.607 flat angles P-C4'-P energy: -31.192 tors. eta vs tors. theta energy: -87.343 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: 6 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -819.949926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.949926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.949926 (E_RNA) where: Base-Base interactions energy: -539.012 where: short stacking energy: -249.861 Base-Backbone interact. energy: -1.268 local terms energy: -279.669693 where: bonds (distance) C4'-P energy: -47.950 bonds (distance) P-C4' energy: -55.452 flat angles C4'-P-C4' energy: -64.835 flat angles P-C4'-P energy: -51.422 tors. eta vs tors. theta energy: -60.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -686.472774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.472774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.472774 (E_RNA) where: Base-Base interactions energy: -441.161 where: short stacking energy: -214.696 Base-Backbone interact. energy: -0.810 local terms energy: -244.501408 where: bonds (distance) C4'-P energy: -58.736 bonds (distance) P-C4' energy: -35.744 flat angles C4'-P-C4' energy: -64.858 flat angles P-C4'-P energy: -40.661 tors. eta vs tors. theta energy: -44.502 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: 9, replica: 5 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -487.129768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.129768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.129768 (E_RNA) where: Base-Base interactions energy: -275.389 where: short stacking energy: -144.508 Base-Backbone interact. energy: 1.951 local terms energy: -213.691326 where: bonds (distance) C4'-P energy: -58.831 bonds (distance) P-C4' energy: -43.351 flat angles C4'-P-C4' energy: -61.187 flat angles P-C4'-P energy: -26.419 tors. eta vs tors. theta energy: -23.903 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: 7 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -332.077595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.077595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.077595 (E_RNA) where: Base-Base interactions energy: -163.651 where: short stacking energy: -104.495 Base-Backbone interact. energy: 3.554 local terms energy: -171.980671 where: bonds (distance) C4'-P energy: -57.051 bonds (distance) P-C4' energy: -52.903 flat angles C4'-P-C4' energy: -41.099 flat angles P-C4'-P energy: -28.711 tors. eta vs tors. theta energy: 7.783 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: 1, replica: 8 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1229.219353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.219353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.219353 (E_RNA) where: Base-Base interactions energy: -880.222 where: short stacking energy: -353.850 Base-Backbone interact. energy: -1.906 local terms energy: -347.091825 where: bonds (distance) C4'-P energy: -59.858 bonds (distance) P-C4' energy: -53.076 flat angles C4'-P-C4' energy: -76.670 flat angles P-C4'-P energy: -52.542 tors. eta vs tors. theta energy: -104.947 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: 3 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1107.950842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.950842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.950842 (E_RNA) where: Base-Base interactions energy: -738.782 where: short stacking energy: -351.908 Base-Backbone interact. energy: -1.190 local terms energy: -367.979026 where: bonds (distance) C4'-P energy: -67.946 bonds (distance) P-C4' energy: -71.900 flat angles C4'-P-C4' energy: -70.688 flat angles P-C4'-P energy: -49.800 tors. eta vs tors. theta energy: -107.644 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: 498 Temperature: 1.000000 Total energy: -1102.604901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.604901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.604901 (E_RNA) where: Base-Base interactions energy: -769.641 where: short stacking energy: -317.923 Base-Backbone interact. energy: -1.149 local terms energy: -331.814593 where: bonds (distance) C4'-P energy: -57.500 bonds (distance) P-C4' energy: -62.347 flat angles C4'-P-C4' energy: -67.044 flat angles P-C4'-P energy: -50.610 tors. eta vs tors. theta energy: -94.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -1041.730499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.730499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.730499 (E_RNA) where: Base-Base interactions energy: -710.251 where: short stacking energy: -288.984 Base-Backbone interact. energy: 1.180 local terms energy: -332.659121 where: bonds (distance) C4'-P energy: -65.355 bonds (distance) P-C4' energy: -61.368 flat angles C4'-P-C4' energy: -71.846 flat angles P-C4'-P energy: -52.680 tors. eta vs tors. theta energy: -81.410 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: 10 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1038.536197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.536197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.536197 (E_RNA) where: Base-Base interactions energy: -735.362 where: short stacking energy: -295.743 Base-Backbone interact. energy: 0.045 local terms energy: -303.218869 where: bonds (distance) C4'-P energy: -62.791 bonds (distance) P-C4' energy: -59.690 flat angles C4'-P-C4' energy: -63.075 flat angles P-C4'-P energy: -39.348 tors. eta vs tors. theta energy: -78.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1012.803002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.803002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.803002 (E_RNA) where: Base-Base interactions energy: -713.011 where: short stacking energy: -303.121 Base-Backbone interact. energy: -3.124 local terms energy: -296.668457 where: bonds (distance) C4'-P energy: -52.594 bonds (distance) P-C4' energy: -58.412 flat angles C4'-P-C4' energy: -59.002 flat angles P-C4'-P energy: -41.296 tors. eta vs tors. theta energy: -85.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -791.965426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.965426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.965426 (E_RNA) where: Base-Base interactions energy: -533.239 where: short stacking energy: -231.586 Base-Backbone interact. energy: -2.366 local terms energy: -256.360355 where: bonds (distance) C4'-P energy: -50.529 bonds (distance) P-C4' energy: -54.227 flat angles C4'-P-C4' energy: -59.803 flat angles P-C4'-P energy: -37.420 tors. eta vs tors. theta energy: -54.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -690.981043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.981043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.981043 (E_RNA) where: Base-Base interactions energy: -439.526 where: short stacking energy: -212.107 Base-Backbone interact. energy: 1.483 local terms energy: -252.937832 where: bonds (distance) C4'-P energy: -58.708 bonds (distance) P-C4' energy: -62.856 flat angles C4'-P-C4' energy: -54.906 flat angles P-C4'-P energy: -32.480 tors. eta vs tors. theta energy: -43.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -491.550249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.550249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.550249 (E_RNA) where: Base-Base interactions energy: -276.969 where: short stacking energy: -149.597 Base-Backbone interact. energy: 2.633 local terms energy: -217.214559 where: bonds (distance) C4'-P energy: -52.861 bonds (distance) P-C4' energy: -59.248 flat angles C4'-P-C4' energy: -58.458 flat angles P-C4'-P energy: -25.768 tors. eta vs tors. theta energy: -20.879 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: 10, replica: 7 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -317.705784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.705784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.705784 (E_RNA) where: Base-Base interactions energy: -142.923 where: short stacking energy: -95.500 Base-Backbone interact. energy: -0.558 local terms energy: -174.224907 where: bonds (distance) C4'-P energy: -45.202 bonds (distance) P-C4' energy: -50.126 flat angles C4'-P-C4' energy: -49.858 flat angles P-C4'-P energy: -19.531 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: 1, replica: 8 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1209.788487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.788487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.788487 (E_RNA) where: Base-Base interactions energy: -860.870 where: short stacking energy: -364.339 Base-Backbone interact. energy: -3.116 local terms energy: -345.802894 where: bonds (distance) C4'-P energy: -70.404 bonds (distance) P-C4' energy: -57.142 flat angles C4'-P-C4' energy: -70.048 flat angles P-C4'-P energy: -51.469 tors. eta vs tors. theta energy: -96.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1086.016246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.016246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.016246 (E_RNA) where: Base-Base interactions energy: -741.512 where: short stacking energy: -340.811 Base-Backbone interact. energy: -0.396 local terms energy: -344.108432 where: bonds (distance) C4'-P energy: -60.735 bonds (distance) P-C4' energy: -64.065 flat angles C4'-P-C4' energy: -71.881 flat angles P-C4'-P energy: -44.910 tors. eta vs tors. theta energy: -102.517 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: 499 Temperature: 1.000000 Total energy: -1084.567830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.567830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.567830 (E_RNA) where: Base-Base interactions energy: -749.788 where: short stacking energy: -320.082 Base-Backbone interact. energy: -2.057 local terms energy: -332.722743 where: bonds (distance) C4'-P energy: -60.642 bonds (distance) P-C4' energy: -61.928 flat angles C4'-P-C4' energy: -72.106 flat angles P-C4'-P energy: -51.955 tors. eta vs tors. theta energy: -86.093 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: 10 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1039.655505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.655505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.655505 (E_RNA) where: Base-Base interactions energy: -733.246 where: short stacking energy: -296.156 Base-Backbone interact. energy: -1.903 local terms energy: -304.506527 where: bonds (distance) C4'-P energy: -57.048 bonds (distance) P-C4' energy: -51.575 flat angles C4'-P-C4' energy: -70.087 flat angles P-C4'-P energy: -41.240 tors. eta vs tors. theta energy: -84.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1011.334949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.334949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.334949 (E_RNA) where: Base-Base interactions energy: -699.105 where: short stacking energy: -300.923 Base-Backbone interact. energy: -1.007 local terms energy: -311.223080 where: bonds (distance) C4'-P energy: -61.077 bonds (distance) P-C4' energy: -60.710 flat angles C4'-P-C4' energy: -64.383 flat angles P-C4'-P energy: -42.620 tors. eta vs tors. theta energy: -82.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -984.761936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.761936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.761936 (E_RNA) where: Base-Base interactions energy: -700.082 where: short stacking energy: -271.380 Base-Backbone interact. energy: -0.145 local terms energy: -284.534388 where: bonds (distance) C4'-P energy: -53.014 bonds (distance) P-C4' energy: -52.595 flat angles C4'-P-C4' energy: -70.990 flat angles P-C4'-P energy: -34.722 tors. eta vs tors. theta energy: -73.213 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: 499 Temperature: 1.200000 Total energy: -796.931866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.931866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.931866 (E_RNA) where: Base-Base interactions energy: -515.105 where: short stacking energy: -236.738 Base-Backbone interact. energy: 3.778 local terms energy: -285.605374 where: bonds (distance) C4'-P energy: -59.387 bonds (distance) P-C4' energy: -50.122 flat angles C4'-P-C4' energy: -66.870 flat angles P-C4'-P energy: -54.376 tors. eta vs tors. theta energy: -54.850 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: 2 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -663.459055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.459055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.459055 (E_RNA) where: Base-Base interactions energy: -430.979 where: short stacking energy: -191.233 Base-Backbone interact. energy: -1.974 local terms energy: -230.505932 where: bonds (distance) C4'-P energy: -45.150 bonds (distance) P-C4' energy: -66.047 flat angles C4'-P-C4' energy: -48.169 flat angles P-C4'-P energy: -39.205 tors. eta vs tors. theta energy: -31.935 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: 5 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -478.618493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.618493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.618493 (E_RNA) where: Base-Base interactions energy: -280.782 where: short stacking energy: -138.119 Base-Backbone interact. energy: 2.022 local terms energy: -199.859463 where: bonds (distance) C4'-P energy: -56.103 bonds (distance) P-C4' energy: -49.236 flat angles C4'-P-C4' energy: -57.000 flat angles P-C4'-P energy: -14.736 tors. eta vs tors. theta energy: -22.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -262.003925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.003925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.003925 (E_RNA) where: Base-Base interactions energy: -77.803 where: short stacking energy: -75.894 Base-Backbone interact. energy: 0.560 local terms energy: -184.760888 where: bonds (distance) C4'-P energy: -49.695 bonds (distance) P-C4' energy: -63.007 flat angles C4'-P-C4' energy: -57.195 flat angles P-C4'-P energy: -25.962 tors. eta vs tors. theta energy: 11.099 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: 8 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1219.133896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.133896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.133896 (E_RNA) where: Base-Base interactions energy: -859.226 where: short stacking energy: -364.150 Base-Backbone interact. energy: -1.363 local terms energy: -358.544322 where: bonds (distance) C4'-P energy: -57.560 bonds (distance) P-C4' energy: -73.996 flat angles C4'-P-C4' energy: -71.596 flat angles P-C4'-P energy: -48.140 tors. eta vs tors. theta energy: -107.253 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: 3 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1098.988717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.988717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.988717 (E_RNA) where: Base-Base interactions energy: -755.071 where: short stacking energy: -339.590 Base-Backbone interact. energy: -1.077 local terms energy: -342.840891 where: bonds (distance) C4'-P energy: -65.297 bonds (distance) P-C4' energy: -60.047 flat angles C4'-P-C4' energy: -70.255 flat angles P-C4'-P energy: -43.946 tors. eta vs tors. theta energy: -103.296 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: 3, replica: 9 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1079.877493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.877493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.877493 (E_RNA) where: Base-Base interactions energy: -752.386 where: short stacking energy: -320.617 Base-Backbone interact. energy: -1.380 local terms energy: -326.110989 where: bonds (distance) C4'-P energy: -64.170 bonds (distance) P-C4' energy: -58.283 flat angles C4'-P-C4' energy: -70.619 flat angles P-C4'-P energy: -48.531 tors. eta vs tors. theta energy: -84.507 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: 10 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1034.598888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.598888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.598888 (E_RNA) where: Base-Base interactions energy: -713.713 where: short stacking energy: -297.236 Base-Backbone interact. energy: -1.257 local terms energy: -319.628868 where: bonds (distance) C4'-P energy: -59.102 bonds (distance) P-C4' energy: -64.811 flat angles C4'-P-C4' energy: -62.344 flat angles P-C4'-P energy: -49.650 tors. eta vs tors. theta energy: -83.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1022.748540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.748540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.748540 (E_RNA) where: Base-Base interactions energy: -708.496 where: short stacking energy: -298.880 Base-Backbone interact. energy: -1.123 local terms energy: -313.129905 where: bonds (distance) C4'-P energy: -59.693 bonds (distance) P-C4' energy: -54.315 flat angles C4'-P-C4' energy: -75.614 flat angles P-C4'-P energy: -48.613 tors. eta vs tors. theta energy: -74.895 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: 4 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -976.944617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.944617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.944617 (E_RNA) where: Base-Base interactions energy: -665.738 where: short stacking energy: -275.818 Base-Backbone interact. energy: -1.622 local terms energy: -309.584324 where: bonds (distance) C4'-P energy: -68.273 bonds (distance) P-C4' energy: -60.236 flat angles C4'-P-C4' energy: -66.655 flat angles P-C4'-P energy: -40.399 tors. eta vs tors. theta energy: -74.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -754.793205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.793205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.793205 (E_RNA) where: Base-Base interactions energy: -511.679 where: short stacking energy: -199.266 Base-Backbone interact. energy: -1.705 local terms energy: -241.409389 where: bonds (distance) C4'-P energy: -51.289 bonds (distance) P-C4' energy: -53.343 flat angles C4'-P-C4' energy: -52.821 flat angles P-C4'-P energy: -39.595 tors. eta vs tors. theta energy: -44.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -683.712370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.712370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.712370 (E_RNA) where: Base-Base interactions energy: -415.425 where: short stacking energy: -200.128 Base-Backbone interact. energy: 0.888 local terms energy: -269.175233 where: bonds (distance) C4'-P energy: -64.593 bonds (distance) P-C4' energy: -54.930 flat angles C4'-P-C4' energy: -61.797 flat angles P-C4'-P energy: -45.227 tors. eta vs tors. theta energy: -42.629 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: 5 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -464.982834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.982834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.982834 (E_RNA) where: Base-Base interactions energy: -252.314 where: short stacking energy: -117.808 Base-Backbone interact. energy: -1.535 local terms energy: -211.134261 where: bonds (distance) C4'-P energy: -46.263 bonds (distance) P-C4' energy: -68.714 flat angles C4'-P-C4' energy: -59.634 flat angles P-C4'-P energy: -35.923 tors. eta vs tors. theta energy: -0.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -268.569373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.569373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.569373 (E_RNA) where: Base-Base interactions energy: -106.730 where: short stacking energy: -86.947 Base-Backbone interact. energy: -0.236 local terms energy: -161.603750 where: bonds (distance) C4'-P energy: -51.301 bonds (distance) P-C4' energy: -63.036 flat angles C4'-P-C4' energy: -41.341 flat angles P-C4'-P energy: -29.380 tors. eta vs tors. theta energy: 23.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1228.015052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.015052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.015052 (E_RNA) where: Base-Base interactions energy: -863.993 where: short stacking energy: -347.211 Base-Backbone interact. energy: -4.169 local terms energy: -359.853552 where: bonds (distance) C4'-P energy: -67.930 bonds (distance) P-C4' energy: -63.326 flat angles C4'-P-C4' energy: -76.724 flat angles P-C4'-P energy: -45.495 tors. eta vs tors. theta energy: -106.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -1112.751472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.751472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.751472 (E_RNA) where: Base-Base interactions energy: -778.141 where: short stacking energy: -313.873 Base-Backbone interact. energy: -0.161 local terms energy: -334.449636 where: bonds (distance) C4'-P energy: -72.498 bonds (distance) P-C4' energy: -57.661 flat angles C4'-P-C4' energy: -66.905 flat angles P-C4'-P energy: -51.368 tors. eta vs tors. theta energy: -86.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1085.124332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.124332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.124332 (E_RNA) where: Base-Base interactions energy: -741.683 where: short stacking energy: -320.549 Base-Backbone interact. energy: -0.423 local terms energy: -343.017706 where: bonds (distance) C4'-P energy: -57.436 bonds (distance) P-C4' energy: -61.785 flat angles C4'-P-C4' energy: -77.552 flat angles P-C4'-P energy: -46.750 tors. eta vs tors. theta energy: -99.495 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: 1 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1048.931140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.931140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.931140 (E_RNA) where: Base-Base interactions energy: -735.936 where: short stacking energy: -302.092 Base-Backbone interact. energy: -0.134 local terms energy: -312.860506 where: bonds (distance) C4'-P energy: -61.049 bonds (distance) P-C4' energy: -63.948 flat angles C4'-P-C4' energy: -67.690 flat angles P-C4'-P energy: -46.819 tors. eta vs tors. theta energy: -73.355 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: 5, replica: 10 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -1020.625518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.625518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.625518 (E_RNA) where: Base-Base interactions energy: -699.383 where: short stacking energy: -286.592 Base-Backbone interact. energy: 4.831 local terms energy: -326.073357 where: bonds (distance) C4'-P energy: -59.046 bonds (distance) P-C4' energy: -64.448 flat angles C4'-P-C4' energy: -63.289 flat angles P-C4'-P energy: -50.888 tors. eta vs tors. theta energy: -88.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1020.786121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.786121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.786121 (E_RNA) where: Base-Base interactions energy: -713.597 where: short stacking energy: -304.294 Base-Backbone interact. energy: -2.159 local terms energy: -305.030189 where: bonds (distance) C4'-P energy: -42.943 bonds (distance) P-C4' energy: -67.151 flat angles C4'-P-C4' energy: -70.064 flat angles P-C4'-P energy: -44.121 tors. eta vs tors. theta energy: -80.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -754.886125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.886125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.886125 (E_RNA) where: Base-Base interactions energy: -491.663 where: short stacking energy: -210.605 Base-Backbone interact. energy: 1.213 local terms energy: -264.436332 where: bonds (distance) C4'-P energy: -63.716 bonds (distance) P-C4' energy: -57.945 flat angles C4'-P-C4' energy: -59.080 flat angles P-C4'-P energy: -37.324 tors. eta vs tors. theta energy: -46.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -722.503017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.503017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.503017 (E_RNA) where: Base-Base interactions energy: -475.478 where: short stacking energy: -218.363 Base-Backbone interact. energy: 0.556 local terms energy: -247.580867 where: bonds (distance) C4'-P energy: -51.737 bonds (distance) P-C4' energy: -52.299 flat angles C4'-P-C4' energy: -53.408 flat angles P-C4'-P energy: -43.522 tors. eta vs tors. theta energy: -46.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -494.259384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.259384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.259384 (E_RNA) where: Base-Base interactions energy: -280.502 where: short stacking energy: -135.938 Base-Backbone interact. energy: -0.960 local terms energy: -212.796761 where: bonds (distance) C4'-P energy: -60.910 bonds (distance) P-C4' energy: -59.394 flat angles C4'-P-C4' energy: -56.121 flat angles P-C4'-P energy: -24.945 tors. eta vs tors. theta energy: -11.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -297.199001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.199001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.199001 (E_RNA) where: Base-Base interactions energy: -131.433 where: short stacking energy: -122.189 Base-Backbone interact. energy: -0.311 local terms energy: -165.454898 where: bonds (distance) C4'-P energy: -43.310 bonds (distance) P-C4' energy: -48.528 flat angles C4'-P-C4' energy: -54.307 flat angles P-C4'-P energy: -18.009 tors. eta vs tors. theta energy: -1.300 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) replica 8 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 54870380 moves confirmed later: 61158293 all moves confirmed: 116028673 percent of confirmed moves: 14.503584 current total energy: -1175.647633 recalc. total energy: -1175.647633 replica 9 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 59844683 moves confirmed later: 67596337 all moves confirmed: 127441020 percent of confirmed moves: 15.930127 current total energy: -1032.214383 recalc. total energy: -1032.214383 replica 3 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 50892382 moves confirmed later: 55169004 all moves confirmed: 106061386 percent of confirmed moves: 13.257673 current total energy: -991.789140 recalc. total energy: -991.789140 replica 1 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 62730027 moves confirmed later: 70931413 all moves confirmed: 133661440 percent of confirmed moves: 16.707680 current total energy: -975.022363 recalc. total energy: -975.022363 replica 10 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 54949979 moves confirmed later: 61383765 all moves confirmed: 116333744 percent of confirmed moves: 14.541718 current total energy: -916.791302 recalc. total energy: -916.791302 replica 4 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 76691853 moves confirmed later: 89598130 all moves confirmed: 166289983 percent of confirmed moves: 20.786248 current total energy: -898.239851 recalc. total energy: -898.239851 replica 2 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 91833485 moves confirmed later: 108974808 all moves confirmed: 200808293 percent of confirmed moves: 25.101037 current total energy: -675.896603 recalc. total energy: -675.896603 replica 6 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 60349450 moves confirmed later: 68068373 all moves confirmed: 128417823 percent of confirmed moves: 16.052228 current total energy: -585.853871 recalc. total energy: -585.853871 replica 5 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 77073508 moves confirmed later: 89813945 all moves confirmed: 166887453 percent of confirmed moves: 20.860932 current total energy: -406.949228 recalc. total energy: -406.949228 replica 7 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 107661522 moves confirmed later: 129352582 all moves confirmed: 237014104 percent of confirmed moves: 29.626763 current total energy: -122.025049 recalc. total energy: -122.025049 out arg RESULTS//1/d3-d5-62480753_01 Time of doing 8000000 iterations: 10228.031 seconds