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/16779_3_TR-76d5fd37/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16779_3_TR-76d5fd37/inputs/seq.fa: 1 curr_seq: _AGGUUCUUUGAGAACUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGUUCUUUGAGAACUA 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/16779_3_TR-76d5fd37/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16779_3_TR-76d5fd37/inputs/seq.fa: 1 curr_seq: _AGGUUCUUUGAGAACUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGUUCUUUGAGAACUA 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/16779_3_TR-76d5fd37/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16779_3_TR-76d5fd37/inputs/seq.fa: 1 curr_seq: _AGGUUCUUUGAGAACUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGUUCUUUGAGAACUA 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/16779_3_TR-76d5fd37/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16779_3_TR-76d5fd37/inputs/seq.fa: 1 curr_seq: _AGGUUCUUUGAGAACUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGUUCUUUGAGAACUA 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/16779_3_TR-76d5fd37/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16779_3_TR-76d5fd37/inputs/seq.fa: 1 curr_seq: _AGGUUCUUUGAGAACUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGUUCUUUGAGAACUA 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/16779_3_TR-76d5fd37/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16779_3_TR-76d5fd37/inputs/seq.fa: 1 curr_seq: _AGGUUCUUUGAGAACUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGUUCUUUGAGAACUA 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/16779_3_TR-76d5fd37/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16779_3_TR-76d5fd37/inputs/seq.fa: 1 curr_seq: _AGGUUCUUUGAGAACUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGUUCUUUGAGAACUA 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/16779_3_TR-76d5fd37/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16779_3_TR-76d5fd37/inputs/seq.fa: 1 curr_seq: _AGGUUCUUUGAGAACUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGUUCUUUGAGAACUA 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/16779_3_TR-76d5fd37/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16779_3_TR-76d5fd37/inputs/seq.fa: 1 curr_seq: _AGGUUCUUUGAGAACUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGUUCUUUGAGAACUA 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/16779_3_TR-76d5fd37/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16779_3_TR-76d5fd37/inputs/seq.fa: 1 curr_seq: _AGGUUCUUUGAGAACUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGUUCUUUGAGAACUA 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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: -62.086215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.086215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.086215 (E_RNA) where: Base-Base interactions energy: -1.975 where: short stacking energy: -1.975 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -62.086215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.086215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.086215 (E_RNA) where: Base-Base interactions energy: -1.975 where: short stacking energy: -1.975 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -62.086215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.086215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.086215 (E_RNA) where: Base-Base interactions energy: -1.975 where: short stacking energy: -1.975 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -62.086215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.086215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.086215 (E_RNA) where: Base-Base interactions energy: -1.975 where: short stacking energy: -1.975 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -62.086215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.086215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.086215 (E_RNA) where: Base-Base interactions energy: -1.975 where: short stacking energy: -1.975 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -62.086215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.086215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.086215 (E_RNA) where: Base-Base interactions energy: -1.975 where: short stacking energy: -1.975 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -62.086215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.086215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.086215 (E_RNA) where: Base-Base interactions energy: -1.975 where: short stacking energy: -1.975 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -62.086215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.086215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.086215 (E_RNA) where: Base-Base interactions energy: -1.975 where: short stacking energy: -1.975 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -62.086215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.086215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.086215 (E_RNA) where: Base-Base interactions energy: -1.975 where: short stacking energy: -1.975 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -62.086215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.086215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.086215 (E_RNA) where: Base-Base interactions energy: -1.975 where: short stacking energy: -1.975 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -131.933480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.933480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.933480 (E_RNA) where: Base-Base interactions energy: -75.744 where: short stacking energy: -39.552 Base-Backbone interact. energy: -0.196 local terms energy: -55.993580 where: bonds (distance) C4'-P energy: -12.518 bonds (distance) P-C4' energy: -12.803 flat angles C4'-P-C4' energy: -13.195 flat angles P-C4'-P energy: -8.542 tors. eta vs tors. theta energy: -8.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -99.066153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.066153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.066153 (E_RNA) where: Base-Base interactions energy: -45.029 where: short stacking energy: -45.029 Base-Backbone interact. energy: -0.099 local terms energy: -53.937779 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -10.195 flat angles P-C4'-P energy: -7.642 tors. eta vs tors. theta energy: -10.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -100.754731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.754731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.754731 (E_RNA) where: Base-Base interactions energy: -48.811 where: short stacking energy: -38.129 Base-Backbone interact. energy: -0.095 local terms energy: -51.849211 where: bonds (distance) C4'-P energy: -12.414 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -14.385 flat angles P-C4'-P energy: -7.572 tors. eta vs tors. theta energy: -11.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -78.510124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.510124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.510124 (E_RNA) where: Base-Base interactions energy: -36.145 where: short stacking energy: -18.320 Base-Backbone interact. energy: -0.228 local terms energy: -42.137026 where: bonds (distance) C4'-P energy: -11.289 bonds (distance) P-C4' energy: -12.964 flat angles C4'-P-C4' energy: -10.561 flat angles P-C4'-P energy: -8.539 tors. eta vs tors. theta energy: 1.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -148.745362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.745362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.745362 (E_RNA) where: Base-Base interactions energy: -103.021 where: short stacking energy: -34.044 Base-Backbone interact. energy: -0.253 local terms energy: -45.471831 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -11.380 flat angles P-C4'-P energy: -8.661 tors. eta vs tors. theta energy: -6.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -87.335179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.335179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.335179 (E_RNA) where: Base-Base interactions energy: -43.754 where: short stacking energy: -24.652 Base-Backbone interact. energy: -0.053 local terms energy: -43.527948 where: bonds (distance) C4'-P energy: -13.026 bonds (distance) P-C4' energy: -13.627 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -2.483 tors. eta vs tors. theta energy: -8.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -74.287188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.287188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.287188 (E_RNA) where: Base-Base interactions energy: -28.546 where: short stacking energy: -21.444 Base-Backbone interact. energy: -0.091 local terms energy: -45.649984 where: bonds (distance) C4'-P energy: -13.586 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -6.459 tors. eta vs tors. theta energy: -5.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -64.532547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.532547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.532547 (E_RNA) where: Base-Base interactions energy: -17.974 where: short stacking energy: -17.059 Base-Backbone interact. energy: -0.036 local terms energy: -46.523207 where: bonds (distance) C4'-P energy: -11.984 bonds (distance) P-C4' energy: -12.913 flat angles C4'-P-C4' energy: -9.450 flat angles P-C4'-P energy: -12.058 tors. eta vs tors. theta energy: -0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -67.597334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.597334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.597334 (E_RNA) where: Base-Base interactions energy: -26.741 where: short stacking energy: -20.683 Base-Backbone interact. energy: 1.299 local terms energy: -42.156275 where: bonds (distance) C4'-P energy: -9.856 bonds (distance) P-C4' energy: -11.009 flat angles C4'-P-C4' energy: -9.791 flat angles P-C4'-P energy: -6.382 tors. eta vs tors. theta energy: -5.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -61.772001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.772001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.772001 (E_RNA) where: Base-Base interactions energy: -2.344 where: short stacking energy: -2.344 Base-Backbone interact. energy: -0.000 local terms energy: -59.428039 where: bonds (distance) C4'-P energy: -16.401 bonds (distance) P-C4' energy: -16.097 flat angles C4'-P-C4' energy: -11.897 flat angles P-C4'-P energy: -14.119 tors. eta vs tors. theta energy: -0.915 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -133.059035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.059035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.059035 (E_RNA) where: Base-Base interactions energy: -77.096 where: short stacking energy: -45.568 Base-Backbone interact. energy: -0.881 local terms energy: -55.081574 where: bonds (distance) C4'-P energy: -9.226 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -15.476 flat angles P-C4'-P energy: -9.830 tors. eta vs tors. theta energy: -8.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -113.337994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.337994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.337994 (E_RNA) where: Base-Base interactions energy: -62.039 where: short stacking energy: -35.814 Base-Backbone interact. energy: -0.318 local terms energy: -50.980427 where: bonds (distance) C4'-P energy: -10.071 bonds (distance) P-C4' energy: -12.033 flat angles C4'-P-C4' energy: -13.105 flat angles P-C4'-P energy: -9.474 tors. eta vs tors. theta energy: -6.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -101.207520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.207520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.207520 (E_RNA) where: Base-Base interactions energy: -51.087 where: short stacking energy: -29.830 Base-Backbone interact. energy: -0.052 local terms energy: -50.068607 where: bonds (distance) C4'-P energy: -12.422 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -12.880 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: -6.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -159.827609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.827609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.827609 (E_RNA) where: Base-Base interactions energy: -109.195 where: short stacking energy: -45.113 Base-Backbone interact. energy: -0.136 local terms energy: -50.497350 where: bonds (distance) C4'-P energy: -10.291 bonds (distance) P-C4' energy: -12.595 flat angles C4'-P-C4' energy: -13.582 flat angles P-C4'-P energy: -6.021 tors. eta vs tors. theta energy: -8.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -87.356246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.356246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.356246 (E_RNA) where: Base-Base interactions energy: -41.068 where: short stacking energy: -31.557 Base-Backbone interact. energy: -0.331 local terms energy: -45.957192 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -11.926 flat angles C4'-P-C4' energy: -11.442 flat angles P-C4'-P energy: -7.149 tors. eta vs tors. theta energy: -2.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -81.071833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.071833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.071833 (E_RNA) where: Base-Base interactions energy: -36.838 where: short stacking energy: -25.576 Base-Backbone interact. energy: -0.046 local terms energy: -44.187667 where: bonds (distance) C4'-P energy: -13.135 bonds (distance) P-C4' energy: -11.671 flat angles C4'-P-C4' energy: -12.164 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -1.982 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: 3 Temperature: 1.200000 Total energy: -110.250901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.250901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.250901 (E_RNA) where: Base-Base interactions energy: -60.211 where: short stacking energy: -41.842 Base-Backbone interact. energy: 1.265 local terms energy: -51.304648 where: bonds (distance) C4'-P energy: -12.100 bonds (distance) P-C4' energy: -11.051 flat angles C4'-P-C4' energy: -12.824 flat angles P-C4'-P energy: -7.316 tors. eta vs tors. theta energy: -8.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -74.226903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.226903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.226903 (E_RNA) where: Base-Base interactions energy: -26.005 where: short stacking energy: -21.513 Base-Backbone interact. energy: -0.076 local terms energy: -48.145468 where: bonds (distance) C4'-P energy: -12.008 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -10.406 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -1.652 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: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -67.489346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.489346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.489346 (E_RNA) where: Base-Base interactions energy: -28.866 where: short stacking energy: -19.729 Base-Backbone interact. energy: -0.034 local terms energy: -38.589029 where: bonds (distance) C4'-P energy: -11.102 bonds (distance) P-C4' energy: -11.310 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -6.453 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -66.403789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.403789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.403789 (E_RNA) where: Base-Base interactions energy: -24.495 where: short stacking energy: -24.495 Base-Backbone interact. energy: 0.494 local terms energy: -42.402607 where: bonds (distance) C4'-P energy: -8.465 bonds (distance) P-C4' energy: -11.834 flat angles C4'-P-C4' energy: -10.085 flat angles P-C4'-P energy: -7.512 tors. eta vs tors. theta energy: -4.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -131.538610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.538610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.538610 (E_RNA) where: Base-Base interactions energy: -74.127 where: short stacking energy: -39.969 Base-Backbone interact. energy: -0.106 local terms energy: -57.306087 where: bonds (distance) C4'-P energy: -14.438 bonds (distance) P-C4' energy: -14.075 flat angles C4'-P-C4' energy: -12.118 flat angles P-C4'-P energy: -7.124 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: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -114.035009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.035009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.035009 (E_RNA) where: Base-Base interactions energy: -61.656 where: short stacking energy: -36.656 Base-Backbone interact. energy: -0.016 local terms energy: -52.363660 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -10.597 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -8.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -184.398072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.398072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.398072 (E_RNA) where: Base-Base interactions energy: -126.001 where: short stacking energy: -45.157 Base-Backbone interact. energy: -0.126 local terms energy: -58.271021 where: bonds (distance) C4'-P energy: -11.827 bonds (distance) P-C4' energy: -10.492 flat angles C4'-P-C4' energy: -13.359 flat angles P-C4'-P energy: -10.724 tors. eta vs tors. theta energy: -11.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -83.550125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.550125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.550125 (E_RNA) where: Base-Base interactions energy: -33.833 where: short stacking energy: -33.833 Base-Backbone interact. energy: -0.077 local terms energy: -49.640780 where: bonds (distance) C4'-P energy: -10.602 bonds (distance) P-C4' energy: -12.268 flat angles C4'-P-C4' energy: -12.676 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -10.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -80.784197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.784197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.784197 (E_RNA) where: Base-Base interactions energy: -41.148 where: short stacking energy: -25.516 Base-Backbone interact. energy: 0.439 local terms energy: -40.074534 where: bonds (distance) C4'-P energy: -14.340 bonds (distance) P-C4' energy: -5.639 flat angles C4'-P-C4' energy: -8.972 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -6.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -81.180403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.180403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.180403 (E_RNA) where: Base-Base interactions energy: -35.989 where: short stacking energy: -33.243 Base-Backbone interact. energy: -0.108 local terms energy: -45.083659 where: bonds (distance) C4'-P energy: -12.042 bonds (distance) P-C4' energy: -13.458 flat angles C4'-P-C4' energy: -9.887 flat angles P-C4'-P energy: -2.645 tors. eta vs tors. theta energy: -7.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -87.792103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.792103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.792103 (E_RNA) where: Base-Base interactions energy: -49.658 where: short stacking energy: -20.224 Base-Backbone interact. energy: -0.298 local terms energy: -37.836253 where: bonds (distance) C4'-P energy: -12.556 bonds (distance) P-C4' energy: -11.560 flat angles C4'-P-C4' energy: -11.717 flat angles P-C4'-P energy: -5.537 tors. eta vs tors. theta energy: 3.535 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: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -80.503149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.503149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.503149 (E_RNA) where: Base-Base interactions energy: -40.969 where: short stacking energy: -37.797 Base-Backbone interact. energy: -0.253 local terms energy: -39.281332 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -9.936 flat angles C4'-P-C4' energy: -11.843 flat angles P-C4'-P energy: -3.013 tors. eta vs tors. theta energy: -8.240 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: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -79.935941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.935941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.935941 (E_RNA) where: Base-Base interactions energy: -37.451 where: short stacking energy: -18.078 Base-Backbone interact. energy: -0.175 local terms energy: -42.309615 where: bonds (distance) C4'-P energy: -13.987 bonds (distance) P-C4' energy: -12.752 flat angles C4'-P-C4' energy: -8.941 flat angles P-C4'-P energy: -8.464 tors. eta vs tors. theta energy: 1.835 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: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -73.061920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.061920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.061920 (E_RNA) where: Base-Base interactions energy: -32.228 where: short stacking energy: -15.715 Base-Backbone interact. energy: -0.602 local terms energy: -40.232346 where: bonds (distance) C4'-P energy: -9.098 bonds (distance) P-C4' energy: -10.526 flat angles C4'-P-C4' energy: -10.974 flat angles P-C4'-P energy: -8.802 tors. eta vs tors. theta energy: -0.833 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -129.369930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.369930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.369930 (E_RNA) where: Base-Base interactions energy: -80.401 where: short stacking energy: -41.233 Base-Backbone interact. energy: -0.002 local terms energy: -48.966722 where: bonds (distance) C4'-P energy: -13.371 bonds (distance) P-C4' energy: -10.210 flat angles C4'-P-C4' energy: -11.490 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -9.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -179.766852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.766852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.766852 (E_RNA) where: Base-Base interactions energy: -120.011 where: short stacking energy: -48.768 Base-Backbone interact. energy: -0.006 local terms energy: -59.750285 where: bonds (distance) C4'-P energy: -12.212 bonds (distance) P-C4' energy: -12.536 flat angles C4'-P-C4' energy: -15.168 flat angles P-C4'-P energy: -8.255 tors. eta vs tors. theta energy: -11.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -142.086614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.086614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.086614 (E_RNA) where: Base-Base interactions energy: -84.726 where: short stacking energy: -40.959 Base-Backbone interact. energy: -0.000 local terms energy: -57.360155 where: bonds (distance) C4'-P energy: -13.942 bonds (distance) P-C4' energy: -14.326 flat angles C4'-P-C4' energy: -12.693 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -11.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -91.488449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.488449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.488449 (E_RNA) where: Base-Base interactions energy: -44.797 where: short stacking energy: -19.543 Base-Backbone interact. energy: -1.279 local terms energy: -45.413316 where: bonds (distance) C4'-P energy: -8.532 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -10.181 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -7.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -82.047709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.047709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.047709 (E_RNA) where: Base-Base interactions energy: -35.706 where: short stacking energy: -32.780 Base-Backbone interact. energy: -0.762 local terms energy: -45.579362 where: bonds (distance) C4'-P energy: -12.891 bonds (distance) P-C4' energy: -11.144 flat angles C4'-P-C4' energy: -9.073 flat angles P-C4'-P energy: -7.639 tors. eta vs tors. theta energy: -4.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -92.087531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.087531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.087531 (E_RNA) where: Base-Base interactions energy: -56.005 where: short stacking energy: -19.196 Base-Backbone interact. energy: -0.158 local terms energy: -35.924718 where: bonds (distance) C4'-P energy: -8.101 bonds (distance) P-C4' energy: -12.087 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -7.985 tors. eta vs tors. theta energy: -1.485 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: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -86.325921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.325921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.325921 (E_RNA) where: Base-Base interactions energy: -34.213 where: short stacking energy: -31.920 Base-Backbone interact. energy: -0.084 local terms energy: -52.028295 where: bonds (distance) C4'-P energy: -12.193 bonds (distance) P-C4' energy: -11.452 flat angles C4'-P-C4' energy: -14.112 flat angles P-C4'-P energy: -7.113 tors. eta vs tors. theta energy: -7.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -70.899030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.899030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.899030 (E_RNA) where: Base-Base interactions energy: -30.850 where: short stacking energy: -24.544 Base-Backbone interact. energy: -0.140 local terms energy: -39.908220 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -7.786 flat angles C4'-P-C4' energy: -11.326 flat angles P-C4'-P energy: -3.147 tors. eta vs tors. theta energy: -4.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -64.221966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.221966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.221966 (E_RNA) where: Base-Base interactions energy: -23.145 where: short stacking energy: -23.145 Base-Backbone interact. energy: -0.107 local terms energy: -40.969592 where: bonds (distance) C4'-P energy: -7.645 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -10.230 flat angles P-C4'-P energy: -8.839 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: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -60.928374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.928374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.928374 (E_RNA) where: Base-Base interactions energy: -17.697 where: short stacking energy: -9.922 Base-Backbone interact. energy: -0.086 local terms energy: -43.145135 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -12.317 flat angles C4'-P-C4' energy: -8.863 flat angles P-C4'-P energy: -7.373 tors. eta vs tors. theta energy: -1.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -189.214131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.214131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.214131 (E_RNA) where: Base-Base interactions energy: -131.337 where: short stacking energy: -49.200 Base-Backbone interact. energy: -0.542 local terms energy: -57.336071 where: bonds (distance) C4'-P energy: -11.036 bonds (distance) P-C4' energy: -11.253 flat angles C4'-P-C4' energy: -12.401 flat angles P-C4'-P energy: -9.371 tors. eta vs tors. theta energy: -13.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -132.316521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.316521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.316521 (E_RNA) where: Base-Base interactions energy: -76.878 where: short stacking energy: -40.506 Base-Backbone interact. energy: -0.581 local terms energy: -54.856792 where: bonds (distance) C4'-P energy: -12.842 bonds (distance) P-C4' energy: -12.242 flat angles C4'-P-C4' energy: -12.581 flat angles P-C4'-P energy: -7.678 tors. eta vs tors. theta energy: -9.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -139.400560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.400560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.400560 (E_RNA) where: Base-Base interactions energy: -94.704 where: short stacking energy: -35.113 Base-Backbone interact. energy: 0.227 local terms energy: -44.923372 where: bonds (distance) C4'-P energy: -11.177 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -5.327 tors. eta vs tors. theta energy: -8.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -85.580247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.580247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.580247 (E_RNA) where: Base-Base interactions energy: -36.197 where: short stacking energy: -36.197 Base-Backbone interact. energy: -0.013 local terms energy: -49.369542 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -11.224 flat angles C4'-P-C4' energy: -11.727 flat angles P-C4'-P energy: -6.807 tors. eta vs tors. theta energy: -11.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -116.533609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.533609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.533609 (E_RNA) where: Base-Base interactions energy: -64.339 where: short stacking energy: -39.958 Base-Backbone interact. energy: -0.009 local terms energy: -52.185676 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -9.930 flat angles C4'-P-C4' energy: -8.070 flat angles P-C4'-P energy: -10.724 tors. eta vs tors. theta energy: -11.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -108.529589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.529589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.529589 (E_RNA) where: Base-Base interactions energy: -72.347 where: short stacking energy: -35.260 Base-Backbone interact. energy: -0.073 local terms energy: -36.109649 where: bonds (distance) C4'-P energy: -8.965 bonds (distance) P-C4' energy: -7.639 flat angles C4'-P-C4' energy: -9.944 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: -4.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -70.317591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.317591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.317591 (E_RNA) where: Base-Base interactions energy: -21.392 where: short stacking energy: -21.392 Base-Backbone interact. energy: -0.018 local terms energy: -48.907074 where: bonds (distance) C4'-P energy: -11.687 bonds (distance) P-C4' energy: -12.864 flat angles C4'-P-C4' energy: -12.198 flat angles P-C4'-P energy: -6.723 tors. eta vs tors. theta energy: -5.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -70.212577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.212577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.212577 (E_RNA) where: Base-Base interactions energy: -28.620 where: short stacking energy: -25.291 Base-Backbone interact. energy: -0.106 local terms energy: -41.487206 where: bonds (distance) C4'-P energy: -11.329 bonds (distance) P-C4' energy: -10.067 flat angles C4'-P-C4' energy: -8.156 flat angles P-C4'-P energy: -6.451 tors. eta vs tors. theta energy: -5.484 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: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -62.844576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.844576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.844576 (E_RNA) where: Base-Base interactions energy: -22.362 where: short stacking energy: -10.756 Base-Backbone interact. energy: -0.144 local terms energy: -40.339405 where: bonds (distance) C4'-P energy: -12.162 bonds (distance) P-C4' energy: -13.645 flat angles C4'-P-C4' energy: -9.867 flat angles P-C4'-P energy: -7.687 tors. eta vs tors. theta energy: 3.021 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: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -67.535452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.535452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.535452 (E_RNA) where: Base-Base interactions energy: -19.102 where: short stacking energy: -19.102 Base-Backbone interact. energy: -0.313 local terms energy: -48.120860 where: bonds (distance) C4'-P energy: -12.448 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -9.534 flat angles P-C4'-P energy: -10.163 tors. eta vs tors. theta energy: -1.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -186.951651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.951651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.951651 (E_RNA) where: Base-Base interactions energy: -124.168 where: short stacking energy: -47.545 Base-Backbone interact. energy: -0.000 local terms energy: -62.783537 where: bonds (distance) C4'-P energy: -13.033 bonds (distance) P-C4' energy: -12.525 flat angles C4'-P-C4' energy: -12.951 flat angles P-C4'-P energy: -7.570 tors. eta vs tors. theta energy: -16.705 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: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -128.982683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.982683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.982683 (E_RNA) where: Base-Base interactions energy: -69.075 where: short stacking energy: -49.847 Base-Backbone interact. energy: -0.008 local terms energy: -59.899426 where: bonds (distance) C4'-P energy: -12.058 bonds (distance) P-C4' energy: -11.696 flat angles C4'-P-C4' energy: -12.884 flat angles P-C4'-P energy: -8.509 tors. eta vs tors. theta energy: -14.754 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: 7 Temperature: 1.000000 Total energy: -112.914445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.914445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.914445 (E_RNA) where: Base-Base interactions energy: -62.160 where: short stacking energy: -39.659 Base-Backbone interact. energy: -0.304 local terms energy: -50.450035 where: bonds (distance) C4'-P energy: -10.386 bonds (distance) P-C4' energy: -9.298 flat angles C4'-P-C4' energy: -12.875 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -10.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -117.532303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.532303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.532303 (E_RNA) where: Base-Base interactions energy: -68.125 where: short stacking energy: -35.329 Base-Backbone interact. energy: -0.025 local terms energy: -49.382370 where: bonds (distance) C4'-P energy: -11.703 bonds (distance) P-C4' energy: -11.785 flat angles C4'-P-C4' energy: -11.100 flat angles P-C4'-P energy: -9.371 tors. eta vs tors. theta energy: -5.425 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: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -82.177916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.177916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.177916 (E_RNA) where: Base-Base interactions energy: -37.841 where: short stacking energy: -26.961 Base-Backbone interact. energy: -0.089 local terms energy: -44.248310 where: bonds (distance) C4'-P energy: -10.729 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -9.066 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -5.567 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: 10 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -77.540267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.540267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.540267 (E_RNA) where: Base-Base interactions energy: -29.703 where: short stacking energy: -29.703 Base-Backbone interact. energy: -0.014 local terms energy: -47.823082 where: bonds (distance) C4'-P energy: -10.724 bonds (distance) P-C4' energy: -15.041 flat angles C4'-P-C4' energy: -8.953 flat angles P-C4'-P energy: -7.873 tors. eta vs tors. theta energy: -5.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -64.055395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.055395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.055395 (E_RNA) where: Base-Base interactions energy: -26.511 where: short stacking energy: -24.152 Base-Backbone interact. energy: -0.185 local terms energy: -37.359236 where: bonds (distance) C4'-P energy: -8.879 bonds (distance) P-C4' energy: -13.988 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -6.042 tors. eta vs tors. theta energy: -0.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -77.942281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.942281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.942281 (E_RNA) where: Base-Base interactions energy: -48.698 where: short stacking energy: -29.070 Base-Backbone interact. energy: -0.615 local terms energy: -28.629641 where: bonds (distance) C4'-P energy: -8.142 bonds (distance) P-C4' energy: -10.682 flat angles C4'-P-C4' energy: -7.060 flat angles P-C4'-P energy: -0.844 tors. eta vs tors. theta energy: -1.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -68.904140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.904140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.904140 (E_RNA) where: Base-Base interactions energy: -20.465 where: short stacking energy: -16.357 Base-Backbone interact. energy: -2.796 local terms energy: -45.643042 where: bonds (distance) C4'-P energy: -11.726 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -9.688 flat angles P-C4'-P energy: -6.049 tors. eta vs tors. theta energy: -3.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -63.252068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.252068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.252068 (E_RNA) where: Base-Base interactions energy: -21.832 where: short stacking energy: -16.664 Base-Backbone interact. energy: -0.385 local terms energy: -41.034184 where: bonds (distance) C4'-P energy: -13.036 bonds (distance) P-C4' energy: -13.116 flat angles C4'-P-C4' energy: -8.965 flat angles P-C4'-P energy: -7.758 tors. eta vs tors. theta energy: 1.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -184.329767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.329767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.329767 (E_RNA) where: Base-Base interactions energy: -125.302 where: short stacking energy: -50.915 Base-Backbone interact. energy: -0.635 local terms energy: -58.392691 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -11.121 flat angles C4'-P-C4' energy: -12.554 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -12.957 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: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -127.401472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.401472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.401472 (E_RNA) where: Base-Base interactions energy: -76.334 where: short stacking energy: -36.117 Base-Backbone interact. energy: -0.148 local terms energy: -50.918658 where: bonds (distance) C4'-P energy: -13.028 bonds (distance) P-C4' energy: -13.064 flat angles C4'-P-C4' energy: -10.104 flat angles P-C4'-P energy: -6.858 tors. eta vs tors. theta energy: -7.865 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: 8 Temperature: 1.000000 Total energy: -125.708408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.708408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.708408 (E_RNA) where: Base-Base interactions energy: -70.201 where: short stacking energy: -40.956 Base-Backbone interact. energy: -0.103 local terms energy: -55.405261 where: bonds (distance) C4'-P energy: -14.687 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -11.960 flat angles P-C4'-P energy: -7.536 tors. eta vs tors. theta energy: -8.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -87.352468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.352468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.352468 (E_RNA) where: Base-Base interactions energy: -44.476 where: short stacking energy: -23.927 Base-Backbone interact. energy: -0.450 local terms energy: -42.426407 where: bonds (distance) C4'-P energy: -7.570 bonds (distance) P-C4' energy: -12.665 flat angles C4'-P-C4' energy: -11.410 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -5.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -87.672913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.672913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.672913 (E_RNA) where: Base-Base interactions energy: -35.278 where: short stacking energy: -35.278 Base-Backbone interact. energy: -0.177 local terms energy: -52.217609 where: bonds (distance) C4'-P energy: -11.111 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -11.173 flat angles P-C4'-P energy: -8.603 tors. eta vs tors. theta energy: -8.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -86.480692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.480692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.480692 (E_RNA) where: Base-Base interactions energy: -34.712 where: short stacking energy: -34.712 Base-Backbone interact. energy: -0.001 local terms energy: -51.768589 where: bonds (distance) C4'-P energy: -13.160 bonds (distance) P-C4' energy: -11.686 flat angles C4'-P-C4' energy: -10.176 flat angles P-C4'-P energy: -8.601 tors. eta vs tors. theta energy: -8.146 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: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -76.615618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.615618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.615618 (E_RNA) where: Base-Base interactions energy: -28.652 where: short stacking energy: -28.652 Base-Backbone interact. energy: 1.600 local terms energy: -49.564145 where: bonds (distance) C4'-P energy: -10.676 bonds (distance) P-C4' energy: -11.770 flat angles C4'-P-C4' energy: -15.086 flat angles P-C4'-P energy: -7.652 tors. eta vs tors. theta energy: -4.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -81.845575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.845575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.845575 (E_RNA) where: Base-Base interactions energy: -40.066 where: short stacking energy: -27.058 Base-Backbone interact. energy: -0.478 local terms energy: -41.301747 where: bonds (distance) C4'-P energy: -11.565 bonds (distance) P-C4' energy: -11.245 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: -6.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -65.361648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.361648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.361648 (E_RNA) where: Base-Base interactions energy: -18.825 where: short stacking energy: -14.274 Base-Backbone interact. energy: -0.704 local terms energy: -45.833251 where: bonds (distance) C4'-P energy: -13.077 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -12.355 flat angles P-C4'-P energy: -7.897 tors. eta vs tors. theta energy: 0.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -65.967905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.967905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.967905 (E_RNA) where: Base-Base interactions energy: -23.299 where: short stacking energy: -15.152 Base-Backbone interact. energy: 0.473 local terms energy: -43.142152 where: bonds (distance) C4'-P energy: -11.095 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -2.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -176.058894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.058894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.058894 (E_RNA) where: Base-Base interactions energy: -120.349 where: short stacking energy: -46.122 Base-Backbone interact. energy: 0.944 local terms energy: -56.653151 where: bonds (distance) C4'-P energy: -9.154 bonds (distance) P-C4' energy: -13.735 flat angles C4'-P-C4' energy: -15.498 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -9.866 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: 6 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -127.867273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.867273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.867273 (E_RNA) where: Base-Base interactions energy: -82.882 where: short stacking energy: -40.371 Base-Backbone interact. energy: -0.279 local terms energy: -44.706316 where: bonds (distance) C4'-P energy: -3.493 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -11.737 flat angles P-C4'-P energy: -6.561 tors. eta vs tors. theta energy: -7.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -112.120840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.120840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.120840 (E_RNA) where: Base-Base interactions energy: -58.341 where: short stacking energy: -31.468 Base-Backbone interact. energy: -0.152 local terms energy: -53.627901 where: bonds (distance) C4'-P energy: -13.064 bonds (distance) P-C4' energy: -8.205 flat angles C4'-P-C4' energy: -12.555 flat angles P-C4'-P energy: -10.320 tors. eta vs tors. theta energy: -9.484 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: 9 Temperature: 1.050000 Total energy: -111.783759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.783759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.783759 (E_RNA) where: Base-Base interactions energy: -61.787 where: short stacking energy: -37.749 Base-Backbone interact. energy: -0.163 local terms energy: -49.834076 where: bonds (distance) C4'-P energy: -12.865 bonds (distance) P-C4' energy: -11.156 flat angles C4'-P-C4' energy: -12.269 flat angles P-C4'-P energy: -7.186 tors. eta vs tors. theta energy: -6.358 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: 5, replica: 10 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -110.847214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.847214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.847214 (E_RNA) where: Base-Base interactions energy: -59.706 where: short stacking energy: -40.740 Base-Backbone interact. energy: -0.146 local terms energy: -50.995166 where: bonds (distance) C4'-P energy: -10.042 bonds (distance) P-C4' energy: -11.070 flat angles C4'-P-C4' energy: -13.316 flat angles P-C4'-P energy: -8.031 tors. eta vs tors. theta energy: -8.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -87.422480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.422480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.422480 (E_RNA) where: Base-Base interactions energy: -39.462 where: short stacking energy: -30.812 Base-Backbone interact. energy: -0.025 local terms energy: -47.935036 where: bonds (distance) C4'-P energy: -7.290 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -14.205 flat angles P-C4'-P energy: -6.085 tors. eta vs tors. theta energy: -6.632 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: 9 Temperature: 1.200000 Total energy: -64.980892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.980892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.980892 (E_RNA) where: Base-Base interactions energy: -24.471 where: short stacking energy: -23.538 Base-Backbone interact. energy: 0.792 local terms energy: -41.302176 where: bonds (distance) C4'-P energy: -8.357 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -10.427 tors. eta vs tors. theta energy: -4.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -97.208335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.208335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.208335 (E_RNA) where: Base-Base interactions energy: -62.912 where: short stacking energy: -27.948 Base-Backbone interact. energy: -0.726 local terms energy: -33.570278 where: bonds (distance) C4'-P energy: -9.745 bonds (distance) P-C4' energy: -9.123 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -7.571 tors. eta vs tors. theta energy: -2.725 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: 3 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -65.647289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.647289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.647289 (E_RNA) where: Base-Base interactions energy: -32.773 where: short stacking energy: -19.432 Base-Backbone interact. energy: -0.170 local terms energy: -32.704335 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -9.014 flat angles C4'-P-C4' energy: -9.389 flat angles P-C4'-P energy: -9.569 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: 10, replica: 7 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -68.064142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.064142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.064142 (E_RNA) where: Base-Base interactions energy: -22.277 where: short stacking energy: -18.141 Base-Backbone interact. energy: -0.290 local terms energy: -45.496512 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -12.376 flat angles C4'-P-C4' energy: -9.084 flat angles P-C4'-P energy: -9.174 tors. eta vs tors. theta energy: -2.874 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: 1, replica: 5 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -176.138104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.138104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.138104 (E_RNA) where: Base-Base interactions energy: -118.113 where: short stacking energy: -49.171 Base-Backbone interact. energy: -0.723 local terms energy: -57.302452 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -12.204 flat angles P-C4'-P energy: -8.579 tors. eta vs tors. theta energy: -9.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -132.127606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.127606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.127606 (E_RNA) where: Base-Base interactions energy: -78.798 where: short stacking energy: -31.444 Base-Backbone interact. energy: -0.065 local terms energy: -53.265068 where: bonds (distance) C4'-P energy: -12.928 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -10.697 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -7.391 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: 10 Temperature: 1.000000 Total energy: -116.316687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.316687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.316687 (E_RNA) where: Base-Base interactions energy: -74.150 where: short stacking energy: -28.572 Base-Backbone interact. energy: -0.063 local terms energy: -42.103706 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -10.531 flat angles C4'-P-C4' energy: -12.048 flat angles P-C4'-P energy: -1.386 tors. eta vs tors. theta energy: -3.887 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: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -106.464541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.464541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.464541 (E_RNA) where: Base-Base interactions energy: -62.665 where: short stacking energy: -22.917 Base-Backbone interact. energy: -0.400 local terms energy: -43.398690 where: bonds (distance) C4'-P energy: -12.472 bonds (distance) P-C4' energy: -10.627 flat angles C4'-P-C4' energy: -10.570 flat angles P-C4'-P energy: -5.571 tors. eta vs tors. theta energy: -4.158 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: 5, replica: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -83.288988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.288988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.288988 (E_RNA) where: Base-Base interactions energy: -37.777 where: short stacking energy: -37.777 Base-Backbone interact. energy: -0.013 local terms energy: -45.499053 where: bonds (distance) C4'-P energy: -9.885 bonds (distance) P-C4' energy: -13.262 flat angles C4'-P-C4' energy: -10.068 flat angles P-C4'-P energy: -8.547 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: 6, replica: 10 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -84.303778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.303778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.303778 (E_RNA) where: Base-Base interactions energy: -39.643 where: short stacking energy: -23.115 Base-Backbone interact. energy: 3.073 local terms energy: -47.734225 where: bonds (distance) C4'-P energy: -7.351 bonds (distance) P-C4' energy: -15.312 flat angles C4'-P-C4' energy: -9.671 flat angles P-C4'-P energy: -9.791 tors. eta vs tors. theta energy: -5.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -81.049458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.049458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.049458 (E_RNA) where: Base-Base interactions energy: -39.488 where: short stacking energy: -16.531 Base-Backbone interact. energy: -0.798 local terms energy: -40.763407 where: bonds (distance) C4'-P energy: -13.035 bonds (distance) P-C4' energy: -7.853 flat angles C4'-P-C4' energy: -12.974 flat angles P-C4'-P energy: -5.487 tors. eta vs tors. theta energy: -1.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -68.516226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.516226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.516226 (E_RNA) where: Base-Base interactions energy: -31.188 where: short stacking energy: -31.188 Base-Backbone interact. energy: -0.009 local terms energy: -37.319412 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -11.799 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -6.158 tors. eta vs tors. theta energy: -8.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -67.285343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.285343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.285343 (E_RNA) where: Base-Base interactions energy: -22.002 where: short stacking energy: -18.754 Base-Backbone interact. energy: -0.044 local terms energy: -45.239925 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -10.951 flat angles P-C4'-P energy: -6.198 tors. eta vs tors. theta energy: -2.164 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: 3 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -102.787029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.787029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.787029 (E_RNA) where: Base-Base interactions energy: -59.700 where: short stacking energy: -26.412 Base-Backbone interact. energy: -0.316 local terms energy: -42.771046 where: bonds (distance) C4'-P energy: -8.221 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -10.205 flat angles P-C4'-P energy: -8.673 tors. eta vs tors. theta energy: -1.023 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: 5 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -177.012510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.012510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.012510 (E_RNA) where: Base-Base interactions energy: -121.422 where: short stacking energy: -44.485 Base-Backbone interact. energy: -0.014 local terms energy: -55.576371 where: bonds (distance) C4'-P energy: -12.145 bonds (distance) P-C4' energy: -11.612 flat angles C4'-P-C4' energy: -12.571 flat angles P-C4'-P energy: -7.403 tors. eta vs tors. theta energy: -11.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -139.975085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.975085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.975085 (E_RNA) where: Base-Base interactions energy: -83.817 where: short stacking energy: -31.260 Base-Backbone interact. energy: -0.238 local terms energy: -55.919345 where: bonds (distance) C4'-P energy: -12.809 bonds (distance) P-C4' energy: -11.229 flat angles C4'-P-C4' energy: -13.671 flat angles P-C4'-P energy: -8.398 tors. eta vs tors. theta energy: -9.811 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: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -94.403146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.403146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.403146 (E_RNA) where: Base-Base interactions energy: -54.315 where: short stacking energy: -35.207 Base-Backbone interact. energy: 0.188 local terms energy: -40.276270 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -12.014 flat angles P-C4'-P energy: -3.998 tors. eta vs tors. theta energy: -5.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -84.098869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.098869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.098869 (E_RNA) where: Base-Base interactions energy: -34.044 where: short stacking energy: -34.044 Base-Backbone interact. energy: 0.957 local terms energy: -51.012415 where: bonds (distance) C4'-P energy: -10.833 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -13.810 flat angles P-C4'-P energy: -8.844 tors. eta vs tors. theta energy: -4.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -117.008778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.008778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.008778 (E_RNA) where: Base-Base interactions energy: -68.486 where: short stacking energy: -43.295 Base-Backbone interact. energy: -0.041 local terms energy: -48.481412 where: bonds (distance) C4'-P energy: -9.629 bonds (distance) P-C4' energy: -9.424 flat angles C4'-P-C4' energy: -10.030 flat angles P-C4'-P energy: -9.039 tors. eta vs tors. theta energy: -10.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -80.111349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.111349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.111349 (E_RNA) where: Base-Base interactions energy: -41.733 where: short stacking energy: -23.041 Base-Backbone interact. energy: 1.383 local terms energy: -39.760797 where: bonds (distance) C4'-P energy: -11.280 bonds (distance) P-C4' energy: -12.469 flat angles C4'-P-C4' energy: -11.842 flat angles P-C4'-P energy: -5.990 tors. eta vs tors. theta energy: 1.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -81.182680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.182680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.182680 (E_RNA) where: Base-Base interactions energy: -40.997 where: short stacking energy: -17.214 Base-Backbone interact. energy: -0.727 local terms energy: -39.458635 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -9.561 flat angles P-C4'-P energy: -6.603 tors. eta vs tors. theta energy: 1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -72.406794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.406794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.406794 (E_RNA) where: Base-Base interactions energy: -26.311 where: short stacking energy: -17.381 Base-Backbone interact. energy: -0.183 local terms energy: -45.912398 where: bonds (distance) C4'-P energy: -13.619 bonds (distance) P-C4' energy: -10.465 flat angles C4'-P-C4' energy: -10.678 flat angles P-C4'-P energy: -9.829 tors. eta vs tors. theta energy: -1.322 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: 4 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -63.813923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.813923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.813923 (E_RNA) where: Base-Base interactions energy: -19.319 where: short stacking energy: -19.205 Base-Backbone interact. energy: -0.274 local terms energy: -44.220564 where: bonds (distance) C4'-P energy: -11.173 bonds (distance) P-C4' energy: -10.026 flat angles C4'-P-C4' energy: -12.845 flat angles P-C4'-P energy: -6.570 tors. eta vs tors. theta energy: -3.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -63.905846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.905846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.905846 (E_RNA) where: Base-Base interactions energy: -21.957 where: short stacking energy: -18.941 Base-Backbone interact. energy: -0.402 local terms energy: -41.547532 where: bonds (distance) C4'-P energy: -10.428 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -10.002 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -0.229 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: 5 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -176.981939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.981939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.981939 (E_RNA) where: Base-Base interactions energy: -115.917 where: short stacking energy: -45.538 Base-Backbone interact. energy: -0.096 local terms energy: -60.969504 where: bonds (distance) C4'-P energy: -12.593 bonds (distance) P-C4' energy: -14.569 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -8.043 tors. eta vs tors. theta energy: -13.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -129.728898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.728898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.728898 (E_RNA) where: Base-Base interactions energy: -85.836 where: short stacking energy: -33.471 Base-Backbone interact. energy: -0.120 local terms energy: -43.772702 where: bonds (distance) C4'-P energy: -3.095 bonds (distance) P-C4' energy: -11.582 flat angles C4'-P-C4' energy: -12.252 flat angles P-C4'-P energy: -8.992 tors. eta vs tors. theta energy: -7.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -100.244439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.244439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.244439 (E_RNA) where: Base-Base interactions energy: -49.904 where: short stacking energy: -35.118 Base-Backbone interact. energy: -0.131 local terms energy: -50.209080 where: bonds (distance) C4'-P energy: -13.039 bonds (distance) P-C4' energy: -12.993 flat angles C4'-P-C4' energy: -12.218 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -7.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -88.743997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.743997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.743997 (E_RNA) where: Base-Base interactions energy: -38.174 where: short stacking energy: -26.181 Base-Backbone interact. energy: -0.059 local terms energy: -50.511210 where: bonds (distance) C4'-P energy: -13.371 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -10.568 flat angles P-C4'-P energy: -10.072 tors. eta vs tors. theta energy: -2.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -92.979020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.979020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.979020 (E_RNA) where: Base-Base interactions energy: -52.452 where: short stacking energy: -21.233 Base-Backbone interact. energy: -0.243 local terms energy: -40.283797 where: bonds (distance) C4'-P energy: -10.092 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -10.180 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -2.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -83.874522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.874522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.874522 (E_RNA) where: Base-Base interactions energy: -45.631 where: short stacking energy: -17.443 Base-Backbone interact. energy: -0.266 local terms energy: -37.977365 where: bonds (distance) C4'-P energy: -11.066 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -8.708 flat angles P-C4'-P energy: -2.439 tors. eta vs tors. theta energy: -2.295 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: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -82.356654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.356654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.356654 (E_RNA) where: Base-Base interactions energy: -33.808 where: short stacking energy: -33.808 Base-Backbone interact. energy: -0.097 local terms energy: -48.451930 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -11.890 flat angles C4'-P-C4' energy: -11.872 flat angles P-C4'-P energy: -3.771 tors. eta vs tors. theta energy: -12.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -72.744205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.744205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.744205 (E_RNA) where: Base-Base interactions energy: -25.507 where: short stacking energy: -25.507 Base-Backbone interact. energy: -0.145 local terms energy: -47.092247 where: bonds (distance) C4'-P energy: -13.574 bonds (distance) P-C4' energy: -11.285 flat angles C4'-P-C4' energy: -11.188 flat angles P-C4'-P energy: -6.211 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: 9, replica: 3 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -77.677639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.677639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.677639 (E_RNA) where: Base-Base interactions energy: -36.706 where: short stacking energy: -31.000 Base-Backbone interact. energy: -0.051 local terms energy: -40.921414 where: bonds (distance) C4'-P energy: -6.688 bonds (distance) P-C4' energy: -11.446 flat angles C4'-P-C4' energy: -9.322 flat angles P-C4'-P energy: -6.927 tors. eta vs tors. theta energy: -6.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -62.543704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.543704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.543704 (E_RNA) where: Base-Base interactions energy: -24.159 where: short stacking energy: -12.503 Base-Backbone interact. energy: 0.142 local terms energy: -38.526450 where: bonds (distance) C4'-P energy: -9.661 bonds (distance) P-C4' energy: -12.722 flat angles C4'-P-C4' energy: -9.352 flat angles P-C4'-P energy: -7.565 tors. eta vs tors. theta energy: 0.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -189.985048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.985048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.985048 (E_RNA) where: Base-Base interactions energy: -129.600 where: short stacking energy: -51.342 Base-Backbone interact. energy: -0.328 local terms energy: -60.057480 where: bonds (distance) C4'-P energy: -12.360 bonds (distance) P-C4' energy: -12.081 flat angles C4'-P-C4' energy: -14.062 flat angles P-C4'-P energy: -7.671 tors. eta vs tors. theta energy: -13.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -140.691624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.691624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.691624 (E_RNA) where: Base-Base interactions energy: -86.881 where: short stacking energy: -40.963 Base-Backbone interact. energy: -0.064 local terms energy: -53.746375 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -12.500 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -7.832 tors. eta vs tors. theta energy: -13.146 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: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -113.739823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.739823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.739823 (E_RNA) where: Base-Base interactions energy: -61.126 where: short stacking energy: -36.132 Base-Backbone interact. energy: -0.053 local terms energy: -52.560748 where: bonds (distance) C4'-P energy: -13.044 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -10.009 flat angles P-C4'-P energy: -8.864 tors. eta vs tors. theta energy: -7.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -102.519232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.519232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.519232 (E_RNA) where: Base-Base interactions energy: -59.154 where: short stacking energy: -26.443 Base-Backbone interact. energy: 0.654 local terms energy: -44.019006 where: bonds (distance) C4'-P energy: -9.583 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -9.399 flat angles P-C4'-P energy: -8.663 tors. eta vs tors. theta energy: -2.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -94.392608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.392608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.392608 (E_RNA) where: Base-Base interactions energy: -54.438 where: short stacking energy: -20.947 Base-Backbone interact. energy: -0.032 local terms energy: -39.923174 where: bonds (distance) C4'-P energy: -9.190 bonds (distance) P-C4' energy: -12.163 flat angles C4'-P-C4' energy: -11.909 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: 1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -73.493229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.493229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.493229 (E_RNA) where: Base-Base interactions energy: -26.130 where: short stacking energy: -25.930 Base-Backbone interact. energy: -0.189 local terms energy: -47.174697 where: bonds (distance) C4'-P energy: -14.021 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -11.938 flat angles P-C4'-P energy: -2.908 tors. eta vs tors. theta energy: -4.965 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: 9 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -76.709078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.709078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.709078 (E_RNA) where: Base-Base interactions energy: -28.057 where: short stacking energy: -15.183 Base-Backbone interact. energy: -0.535 local terms energy: -48.116568 where: bonds (distance) C4'-P energy: -9.795 bonds (distance) P-C4' energy: -11.733 flat angles C4'-P-C4' energy: -13.708 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -77.327329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.327329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.327329 (E_RNA) where: Base-Base interactions energy: -39.843 where: short stacking energy: -23.237 Base-Backbone interact. energy: -0.005 local terms energy: -37.479007 where: bonds (distance) C4'-P energy: -11.678 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -10.610 flat angles P-C4'-P energy: 0.437 tors. eta vs tors. theta energy: -2.546 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: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -66.927036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.927036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.927036 (E_RNA) where: Base-Base interactions energy: -26.818 where: short stacking energy: -24.135 Base-Backbone interact. energy: -0.109 local terms energy: -39.999955 where: bonds (distance) C4'-P energy: -6.446 bonds (distance) P-C4' energy: -10.497 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -7.015 tors. eta vs tors. theta energy: -2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -62.271388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.271388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.271388 (E_RNA) where: Base-Base interactions energy: -23.110 where: short stacking energy: -23.110 Base-Backbone interact. energy: -0.019 local terms energy: -39.142645 where: bonds (distance) C4'-P energy: -10.121 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -8.583 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: -4.145 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: 5 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -190.771674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.771674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.771674 (E_RNA) where: Base-Base interactions energy: -125.424 where: short stacking energy: -53.230 Base-Backbone interact. energy: -0.027 local terms energy: -65.320526 where: bonds (distance) C4'-P energy: -14.058 bonds (distance) P-C4' energy: -13.970 flat angles C4'-P-C4' energy: -13.084 flat angles P-C4'-P energy: -11.815 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: 2, replica: 6 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -133.248549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.248549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.248549 (E_RNA) where: Base-Base interactions energy: -75.370 where: short stacking energy: -34.183 Base-Backbone interact. energy: -0.102 local terms energy: -57.776137 where: bonds (distance) C4'-P energy: -10.911 bonds (distance) P-C4' energy: -14.797 flat angles C4'-P-C4' energy: -13.067 flat angles P-C4'-P energy: -6.641 tors. eta vs tors. theta energy: -12.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -92.969348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.969348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.969348 (E_RNA) where: Base-Base interactions energy: -50.595 where: short stacking energy: -23.008 Base-Backbone interact. energy: -1.455 local terms energy: -40.919820 where: bonds (distance) C4'-P energy: -13.329 bonds (distance) P-C4' energy: -9.044 flat angles C4'-P-C4' energy: -9.309 flat angles P-C4'-P energy: -5.277 tors. eta vs tors. theta energy: -3.961 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: 4, replica: 1 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -155.153976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.153976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.153976 (E_RNA) where: Base-Base interactions energy: -97.680 where: short stacking energy: -42.376 Base-Backbone interact. energy: 0.121 local terms energy: -57.595822 where: bonds (distance) C4'-P energy: -13.122 bonds (distance) P-C4' energy: -10.052 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -9.972 tors. eta vs tors. theta energy: -10.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -75.809773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.809773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.809773 (E_RNA) where: Base-Base interactions energy: -29.217 where: short stacking energy: -26.330 Base-Backbone interact. energy: -0.342 local terms energy: -46.250848 where: bonds (distance) C4'-P energy: -9.364 bonds (distance) P-C4' energy: -12.045 flat angles C4'-P-C4' energy: -12.440 flat angles P-C4'-P energy: -8.314 tors. eta vs tors. theta energy: -4.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -78.759374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.759374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.759374 (E_RNA) where: Base-Base interactions energy: -34.945 where: short stacking energy: -28.377 Base-Backbone interact. energy: -0.084 local terms energy: -43.730052 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -2.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -106.499694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.499694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.499694 (E_RNA) where: Base-Base interactions energy: -58.668 where: short stacking energy: -36.175 Base-Backbone interact. energy: -0.059 local terms energy: -47.773348 where: bonds (distance) C4'-P energy: -8.593 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -10.569 flat angles P-C4'-P energy: -7.696 tors. eta vs tors. theta energy: -7.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -87.502974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.502974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.502974 (E_RNA) where: Base-Base interactions energy: -39.044 where: short stacking energy: -26.140 Base-Backbone interact. energy: -0.112 local terms energy: -48.346417 where: bonds (distance) C4'-P energy: -11.517 bonds (distance) P-C4' energy: -12.349 flat angles C4'-P-C4' energy: -12.058 flat angles P-C4'-P energy: -6.075 tors. eta vs tors. theta energy: -6.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -70.796799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.796799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.796799 (E_RNA) where: Base-Base interactions energy: -38.541 where: short stacking energy: -23.279 Base-Backbone interact. energy: 1.320 local terms energy: -33.576541 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -12.782 flat angles C4'-P-C4' energy: -9.628 flat angles P-C4'-P energy: -5.807 tors. eta vs tors. theta energy: -0.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -81.367563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.367563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.367563 (E_RNA) where: Base-Base interactions energy: -36.259 where: short stacking energy: -26.096 Base-Backbone interact. energy: -0.042 local terms energy: -45.065823 where: bonds (distance) C4'-P energy: -11.574 bonds (distance) P-C4' energy: -10.726 flat angles C4'-P-C4' energy: -11.663 flat angles P-C4'-P energy: -5.865 tors. eta vs tors. theta energy: -5.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -186.122123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.122123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.122123 (E_RNA) where: Base-Base interactions energy: -127.936 where: short stacking energy: -54.018 Base-Backbone interact. energy: -0.001 local terms energy: -58.185679 where: bonds (distance) C4'-P energy: -10.436 bonds (distance) P-C4' energy: -11.227 flat angles C4'-P-C4' energy: -12.542 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -16.187 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: 2, replica: 6 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -131.573750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.573750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.573750 (E_RNA) where: Base-Base interactions energy: -80.762 where: short stacking energy: -32.507 Base-Backbone interact. energy: -0.201 local terms energy: -50.611241 where: bonds (distance) C4'-P energy: -11.571 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -12.987 flat angles P-C4'-P energy: -5.910 tors. eta vs tors. theta energy: -5.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -91.471316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.471316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.471316 (E_RNA) where: Base-Base interactions energy: -44.634 where: short stacking energy: -23.425 Base-Backbone interact. energy: -0.163 local terms energy: -46.674964 where: bonds (distance) C4'-P energy: -12.233 bonds (distance) P-C4' energy: -9.253 flat angles C4'-P-C4' energy: -11.857 flat angles P-C4'-P energy: -8.500 tors. eta vs tors. theta energy: -4.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -171.043932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.043932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.043932 (E_RNA) where: Base-Base interactions energy: -113.607 where: short stacking energy: -45.519 Base-Backbone interact. energy: -0.339 local terms energy: -57.098156 where: bonds (distance) C4'-P energy: -11.757 bonds (distance) P-C4' energy: -12.169 flat angles C4'-P-C4' energy: -13.134 flat angles P-C4'-P energy: -8.817 tors. eta vs tors. theta energy: -11.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -92.174232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.174232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.174232 (E_RNA) where: Base-Base interactions energy: -41.440 where: short stacking energy: -33.886 Base-Backbone interact. energy: -0.119 local terms energy: -50.615535 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -12.933 flat angles C4'-P-C4' energy: -12.136 flat angles P-C4'-P energy: -5.643 tors. eta vs tors. theta energy: -5.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -89.880024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.880024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.880024 (E_RNA) where: Base-Base interactions energy: -41.831 where: short stacking energy: -18.620 Base-Backbone interact. energy: -0.352 local terms energy: -47.696784 where: bonds (distance) C4'-P energy: -8.731 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -13.980 flat angles P-C4'-P energy: -9.141 tors. eta vs tors. theta energy: -1.654 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: 8 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -78.951061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.951061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.951061 (E_RNA) where: Base-Base interactions energy: -35.272 where: short stacking energy: -31.048 Base-Backbone interact. energy: -1.193 local terms energy: -42.485800 where: bonds (distance) C4'-P energy: -8.250 bonds (distance) P-C4' energy: -12.524 flat angles C4'-P-C4' energy: -12.313 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -5.246 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: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -66.648177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.648177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.648177 (E_RNA) where: Base-Base interactions energy: -21.202 where: short stacking energy: -16.508 Base-Backbone interact. energy: -0.018 local terms energy: -45.428357 where: bonds (distance) C4'-P energy: -8.018 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -13.770 flat angles P-C4'-P energy: -7.525 tors. eta vs tors. theta energy: -1.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -63.668414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.668414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.668414 (E_RNA) where: Base-Base interactions energy: -21.747 where: short stacking energy: -21.497 Base-Backbone interact. energy: -0.315 local terms energy: -41.605972 where: bonds (distance) C4'-P energy: -10.601 bonds (distance) P-C4' energy: -10.620 flat angles C4'-P-C4' energy: -11.605 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: 0.371 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: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -69.976531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.976531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.976531 (E_RNA) where: Base-Base interactions energy: -30.865 where: short stacking energy: -20.184 Base-Backbone interact. energy: -0.079 local terms energy: -39.032746 where: bonds (distance) C4'-P energy: -8.444 bonds (distance) P-C4' energy: -6.727 flat angles C4'-P-C4' energy: -9.954 flat angles P-C4'-P energy: -9.779 tors. eta vs tors. theta energy: -4.129 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: 5 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -190.653558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.653558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.653558 (E_RNA) where: Base-Base interactions energy: -122.833 where: short stacking energy: -43.650 Base-Backbone interact. energy: -0.692 local terms energy: -67.128373 where: bonds (distance) C4'-P energy: -11.629 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -13.405 flat angles P-C4'-P energy: -9.885 tors. eta vs tors. theta energy: -17.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -135.679373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.679373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.679373 (E_RNA) where: Base-Base interactions energy: -80.856 where: short stacking energy: -40.694 Base-Backbone interact. energy: 0.111 local terms energy: -54.934528 where: bonds (distance) C4'-P energy: -13.942 bonds (distance) P-C4' energy: -11.880 flat angles C4'-P-C4' energy: -8.166 flat angles P-C4'-P energy: -9.107 tors. eta vs tors. theta energy: -11.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -178.640279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.640279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.640279 (E_RNA) where: Base-Base interactions energy: -125.623 where: short stacking energy: -53.858 Base-Backbone interact. energy: -0.021 local terms energy: -52.996736 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -8.558 flat angles C4'-P-C4' energy: -12.252 flat angles P-C4'-P energy: -6.964 tors. eta vs tors. theta energy: -12.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -117.516442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.516442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.516442 (E_RNA) where: Base-Base interactions energy: -64.029 where: short stacking energy: -31.102 Base-Backbone interact. energy: -0.679 local terms energy: -52.807539 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -10.169 flat angles C4'-P-C4' energy: -13.817 flat angles P-C4'-P energy: -9.065 tors. eta vs tors. theta energy: -6.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -75.523377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.523377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.523377 (E_RNA) where: Base-Base interactions energy: -35.583 where: short stacking energy: -20.262 Base-Backbone interact. energy: -0.096 local terms energy: -39.843761 where: bonds (distance) C4'-P energy: -9.268 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -9.973 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -4.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -71.597972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.597972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.597972 (E_RNA) where: Base-Base interactions energy: -25.485 where: short stacking energy: -25.485 Base-Backbone interact. energy: -0.017 local terms energy: -46.095796 where: bonds (distance) C4'-P energy: -14.261 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -9.544 flat angles P-C4'-P energy: -8.034 tors. eta vs tors. theta energy: -4.965 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: 9 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -95.211165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.211165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.211165 (E_RNA) where: Base-Base interactions energy: -57.759 where: short stacking energy: -17.628 Base-Backbone interact. energy: -0.298 local terms energy: -37.154107 where: bonds (distance) C4'-P energy: -9.992 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -11.108 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: 2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -68.709723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.709723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.709723 (E_RNA) where: Base-Base interactions energy: -22.473 where: short stacking energy: -22.473 Base-Backbone interact. energy: -0.119 local terms energy: -46.118199 where: bonds (distance) C4'-P energy: -9.469 bonds (distance) P-C4' energy: -13.304 flat angles C4'-P-C4' energy: -9.158 flat angles P-C4'-P energy: -10.331 tors. eta vs tors. theta energy: -3.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -67.363510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.363510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.363510 (E_RNA) where: Base-Base interactions energy: -29.847 where: short stacking energy: -18.981 Base-Backbone interact. energy: -0.219 local terms energy: -37.297369 where: bonds (distance) C4'-P energy: -12.936 bonds (distance) P-C4' energy: -11.257 flat angles C4'-P-C4' energy: -11.874 flat angles P-C4'-P energy: -1.267 tors. eta vs tors. theta energy: 0.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -62.757849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.757849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.757849 (E_RNA) where: Base-Base interactions energy: -30.647 where: short stacking energy: -15.358 Base-Backbone interact. energy: -1.238 local terms energy: -30.872693 where: bonds (distance) C4'-P energy: -12.419 bonds (distance) P-C4' energy: -7.707 flat angles C4'-P-C4' energy: -9.337 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: 2.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -188.635467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.635467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.635467 (E_RNA) where: Base-Base interactions energy: -133.198 where: short stacking energy: -48.804 Base-Backbone interact. energy: -0.100 local terms energy: -55.337926 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -10.418 flat angles C4'-P-C4' energy: -13.608 flat angles P-C4'-P energy: -8.885 tors. eta vs tors. theta energy: -13.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -182.010531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.010531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.010531 (E_RNA) where: Base-Base interactions energy: -117.959 where: short stacking energy: -41.730 Base-Backbone interact. energy: -0.794 local terms energy: -63.257545 where: bonds (distance) C4'-P energy: -13.656 bonds (distance) P-C4' energy: -14.280 flat angles C4'-P-C4' energy: -13.882 flat angles P-C4'-P energy: -8.018 tors. eta vs tors. theta energy: -13.421 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: 6 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -132.506605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.506605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.506605 (E_RNA) where: Base-Base interactions energy: -75.169 where: short stacking energy: -33.885 Base-Backbone interact. energy: -0.925 local terms energy: -56.413096 where: bonds (distance) C4'-P energy: -14.012 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -12.511 flat angles P-C4'-P energy: -8.686 tors. eta vs tors. theta energy: -8.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -101.340730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.340730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.340730 (E_RNA) where: Base-Base interactions energy: -50.272 where: short stacking energy: -30.840 Base-Backbone interact. energy: -0.439 local terms energy: -50.630437 where: bonds (distance) C4'-P energy: -10.867 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -12.590 flat angles P-C4'-P energy: -9.863 tors. eta vs tors. theta energy: -3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -82.577596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.577596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.577596 (E_RNA) where: Base-Base interactions energy: -38.761 where: short stacking energy: -30.566 Base-Backbone interact. energy: -0.071 local terms energy: -43.745758 where: bonds (distance) C4'-P energy: -9.164 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -8.363 flat angles P-C4'-P energy: -8.145 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -89.847963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.847963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.847963 (E_RNA) where: Base-Base interactions energy: -45.369 where: short stacking energy: -25.787 Base-Backbone interact. energy: -0.026 local terms energy: -44.452531 where: bonds (distance) C4'-P energy: -8.405 bonds (distance) P-C4' energy: -13.546 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -7.753 tors. eta vs tors. theta energy: -2.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -68.695926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.695926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.695926 (E_RNA) where: Base-Base interactions energy: -25.708 where: short stacking energy: -25.708 Base-Backbone interact. energy: -0.108 local terms energy: -42.880517 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -11.528 flat angles C4'-P-C4' energy: -8.306 flat angles P-C4'-P energy: -9.070 tors. eta vs tors. theta energy: -5.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -83.166024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.166024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.166024 (E_RNA) where: Base-Base interactions energy: -38.850 where: short stacking energy: -29.814 Base-Backbone interact. energy: -0.243 local terms energy: -44.072799 where: bonds (distance) C4'-P energy: -9.946 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -12.055 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -97.353898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.353898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.353898 (E_RNA) where: Base-Base interactions energy: -45.653 where: short stacking energy: -30.989 Base-Backbone interact. energy: -0.015 local terms energy: -51.685879 where: bonds (distance) C4'-P energy: -12.455 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -12.739 flat angles P-C4'-P energy: -7.996 tors. eta vs tors. theta energy: -9.455 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: 4 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -77.033273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.033273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.033273 (E_RNA) where: Base-Base interactions energy: -34.000 where: short stacking energy: -27.399 Base-Backbone interact. energy: -0.018 local terms energy: -43.014766 where: bonds (distance) C4'-P energy: -12.360 bonds (distance) P-C4' energy: -9.383 flat angles C4'-P-C4' energy: -12.533 flat angles P-C4'-P energy: -2.549 tors. eta vs tors. theta energy: -6.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -192.874149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.874149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.874149 (E_RNA) where: Base-Base interactions energy: -133.487 where: short stacking energy: -51.086 Base-Backbone interact. energy: -0.104 local terms energy: -59.282713 where: bonds (distance) C4'-P energy: -11.116 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -12.250 flat angles P-C4'-P energy: -6.601 tors. eta vs tors. theta energy: -16.467 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: 5 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -185.978631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.978631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.978631 (E_RNA) where: Base-Base interactions energy: -124.263 where: short stacking energy: -49.566 Base-Backbone interact. energy: -0.298 local terms energy: -61.416927 where: bonds (distance) C4'-P energy: -11.822 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -11.462 flat angles P-C4'-P energy: -10.246 tors. eta vs tors. theta energy: -13.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -126.451018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.451018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.451018 (E_RNA) where: Base-Base interactions energy: -78.710 where: short stacking energy: -42.632 Base-Backbone interact. energy: -0.003 local terms energy: -47.737992 where: bonds (distance) C4'-P energy: -12.312 bonds (distance) P-C4' energy: -10.717 flat angles C4'-P-C4' energy: -13.009 flat angles P-C4'-P energy: -1.550 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: 4, replica: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -101.660694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.660694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.660694 (E_RNA) where: Base-Base interactions energy: -53.321 where: short stacking energy: -36.374 Base-Backbone interact. energy: -0.026 local terms energy: -48.313362 where: bonds (distance) C4'-P energy: -12.151 bonds (distance) P-C4' energy: -12.679 flat angles C4'-P-C4' energy: -11.295 flat angles P-C4'-P energy: -6.085 tors. eta vs tors. theta energy: -6.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -120.635064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.635064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.635064 (E_RNA) where: Base-Base interactions energy: -65.249 where: short stacking energy: -46.753 Base-Backbone interact. energy: -0.012 local terms energy: -55.373475 where: bonds (distance) C4'-P energy: -10.928 bonds (distance) P-C4' energy: -12.333 flat angles C4'-P-C4' energy: -13.537 flat angles P-C4'-P energy: -9.166 tors. eta vs tors. theta energy: -9.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -103.397754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.397754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.397754 (E_RNA) where: Base-Base interactions energy: -59.570 where: short stacking energy: -21.642 Base-Backbone interact. energy: -0.179 local terms energy: -43.648572 where: bonds (distance) C4'-P energy: -11.027 bonds (distance) P-C4' energy: -10.831 flat angles C4'-P-C4' energy: -11.870 flat angles P-C4'-P energy: -5.562 tors. eta vs tors. theta energy: -4.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -87.050586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.050586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.050586 (E_RNA) where: Base-Base interactions energy: -40.299 where: short stacking energy: -37.286 Base-Backbone interact. energy: -0.037 local terms energy: -46.714915 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -11.934 flat angles P-C4'-P energy: -8.244 tors. eta vs tors. theta energy: -6.410 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: 18 Temperature: 1.250000 Total energy: -64.538071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.538071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.538071 (E_RNA) where: Base-Base interactions energy: -16.866 where: short stacking energy: -16.175 Base-Backbone interact. energy: -0.180 local terms energy: -47.491581 where: bonds (distance) C4'-P energy: -10.166 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -9.705 flat angles P-C4'-P energy: -10.606 tors. eta vs tors. theta energy: -4.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -73.536111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.536111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.536111 (E_RNA) where: Base-Base interactions energy: -35.936 where: short stacking energy: -19.948 Base-Backbone interact. energy: -0.268 local terms energy: -37.332093 where: bonds (distance) C4'-P energy: -14.124 bonds (distance) P-C4' energy: -9.279 flat angles C4'-P-C4' energy: -9.124 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: -0.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -68.388948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.388948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.388948 (E_RNA) where: Base-Base interactions energy: -26.269 where: short stacking energy: -26.269 Base-Backbone interact. energy: -0.099 local terms energy: -42.020957 where: bonds (distance) C4'-P energy: -7.798 bonds (distance) P-C4' energy: -10.862 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -8.165 tors. eta vs tors. theta energy: -7.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -186.116999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.116999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.116999 (E_RNA) where: Base-Base interactions energy: -124.906 where: short stacking energy: -52.154 Base-Backbone interact. energy: -0.310 local terms energy: -60.901299 where: bonds (distance) C4'-P energy: -10.920 bonds (distance) P-C4' energy: -15.061 flat angles C4'-P-C4' energy: -11.913 flat angles P-C4'-P energy: -6.987 tors. eta vs tors. theta energy: -16.021 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: 5 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -184.472584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.472584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.472584 (E_RNA) where: Base-Base interactions energy: -121.318 where: short stacking energy: -47.122 Base-Backbone interact. energy: -0.000 local terms energy: -63.154162 where: bonds (distance) C4'-P energy: -13.441 bonds (distance) P-C4' energy: -14.617 flat angles C4'-P-C4' energy: -12.211 flat angles P-C4'-P energy: -11.107 tors. eta vs tors. theta energy: -11.779 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: 6 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -172.568863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.568863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.568863 (E_RNA) where: Base-Base interactions energy: -115.312 where: short stacking energy: -50.055 Base-Backbone interact. energy: -0.111 local terms energy: -57.146358 where: bonds (distance) C4'-P energy: -11.230 bonds (distance) P-C4' energy: -13.370 flat angles C4'-P-C4' energy: -12.555 flat angles P-C4'-P energy: -6.573 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: 4, replica: 3 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -96.380602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.380602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.380602 (E_RNA) where: Base-Base interactions energy: -45.574 where: short stacking energy: -25.714 Base-Backbone interact. energy: 0.362 local terms energy: -51.169402 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -12.514 flat angles P-C4'-P energy: -7.878 tors. eta vs tors. theta energy: -3.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -81.792824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.792824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.792824 (E_RNA) where: Base-Base interactions energy: -38.617 where: short stacking energy: -22.464 Base-Backbone interact. energy: -0.098 local terms energy: -43.077852 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -11.057 flat angles C4'-P-C4' energy: -14.538 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -2.019 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: 10 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -97.421781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.421781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.421781 (E_RNA) where: Base-Base interactions energy: -52.089 where: short stacking energy: -27.760 Base-Backbone interact. energy: -0.038 local terms energy: -45.294052 where: bonds (distance) C4'-P energy: -9.760 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -15.090 flat angles P-C4'-P energy: -7.782 tors. eta vs tors. theta energy: -5.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -82.271051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.271051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.271051 (E_RNA) where: Base-Base interactions energy: -33.255 where: short stacking energy: -33.255 Base-Backbone interact. energy: -0.001 local terms energy: -49.015354 where: bonds (distance) C4'-P energy: -12.336 bonds (distance) P-C4' energy: -5.453 flat angles C4'-P-C4' energy: -11.588 flat angles P-C4'-P energy: -8.023 tors. eta vs tors. theta energy: -11.616 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: 8, replica: 4 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -75.676792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.676792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.676792 (E_RNA) where: Base-Base interactions energy: -31.889 where: short stacking energy: -24.526 Base-Backbone interact. energy: -0.225 local terms energy: -43.562538 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -11.362 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -8.702 tors. eta vs tors. theta energy: -4.933 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: 7 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -62.975377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.975377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.975377 (E_RNA) where: Base-Base interactions energy: -26.527 where: short stacking energy: -8.368 Base-Backbone interact. energy: -1.597 local terms energy: -34.851869 where: bonds (distance) C4'-P energy: -13.317 bonds (distance) P-C4' energy: -9.362 flat angles C4'-P-C4' energy: -9.344 flat angles P-C4'-P energy: -8.426 tors. eta vs tors. theta energy: 5.597 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: 10, replica: 8 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -65.479500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.479500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.479500 (E_RNA) where: Base-Base interactions energy: -32.752 where: short stacking energy: -17.417 Base-Backbone interact. energy: -0.625 local terms energy: -32.102256 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -11.735 flat angles C4'-P-C4' energy: -9.984 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: 2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -189.521832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.521832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.521832 (E_RNA) where: Base-Base interactions energy: -127.480 where: short stacking energy: -53.262 Base-Backbone interact. energy: -0.004 local terms energy: -62.038163 where: bonds (distance) C4'-P energy: -9.123 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -15.025 flat angles P-C4'-P energy: -8.604 tors. eta vs tors. theta energy: -15.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -186.580416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.580416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.580416 (E_RNA) where: Base-Base interactions energy: -125.952 where: short stacking energy: -52.361 Base-Backbone interact. energy: -0.925 local terms energy: -59.702653 where: bonds (distance) C4'-P energy: -11.219 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -12.937 flat angles P-C4'-P energy: -8.891 tors. eta vs tors. theta energy: -14.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -179.005015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.005015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.005015 (E_RNA) where: Base-Base interactions energy: -118.001 where: short stacking energy: -43.998 Base-Backbone interact. energy: 0.180 local terms energy: -61.184092 where: bonds (distance) C4'-P energy: -13.193 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -14.344 flat angles P-C4'-P energy: -6.359 tors. eta vs tors. theta energy: -12.925 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: 3 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -111.280668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.280668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.280668 (E_RNA) where: Base-Base interactions energy: -64.499 where: short stacking energy: -27.850 Base-Backbone interact. energy: -0.585 local terms energy: -46.196652 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -9.133 flat angles P-C4'-P energy: -7.958 tors. eta vs tors. theta energy: -7.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -116.240256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.240256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.240256 (E_RNA) where: Base-Base interactions energy: -64.467 where: short stacking energy: -30.285 Base-Backbone interact. energy: -0.072 local terms energy: -51.701187 where: bonds (distance) C4'-P energy: -14.493 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -11.577 flat angles P-C4'-P energy: -5.551 tors. eta vs tors. theta energy: -6.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -77.371999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.371999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.371999 (E_RNA) where: Base-Base interactions energy: -28.931 where: short stacking energy: -28.146 Base-Backbone interact. energy: -0.381 local terms energy: -48.060200 where: bonds (distance) C4'-P energy: -13.185 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -11.350 flat angles P-C4'-P energy: -10.404 tors. eta vs tors. theta energy: -0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -73.262572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.262572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.262572 (E_RNA) where: Base-Base interactions energy: -23.716 where: short stacking energy: -19.331 Base-Backbone interact. energy: -0.175 local terms energy: -49.371607 where: bonds (distance) C4'-P energy: -12.741 bonds (distance) P-C4' energy: -13.759 flat angles C4'-P-C4' energy: -9.795 flat angles P-C4'-P energy: -9.201 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -74.323858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.323858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.323858 (E_RNA) where: Base-Base interactions energy: -36.299 where: short stacking energy: -31.993 Base-Backbone interact. energy: -0.060 local terms energy: -37.964995 where: bonds (distance) C4'-P energy: -10.975 bonds (distance) P-C4' energy: -10.030 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: -6.342 tors. eta vs tors. theta energy: -3.412 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: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -70.227835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.227835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.227835 (E_RNA) where: Base-Base interactions energy: -31.152 where: short stacking energy: -15.686 Base-Backbone interact. energy: -0.115 local terms energy: -38.960647 where: bonds (distance) C4'-P energy: -11.731 bonds (distance) P-C4' energy: -11.316 flat angles C4'-P-C4' energy: -10.781 flat angles P-C4'-P energy: -5.864 tors. eta vs tors. theta energy: 0.731 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: 20 Temperature: 1.350000 Total energy: -59.600214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.600214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.600214 (E_RNA) where: Base-Base interactions energy: -16.630 where: short stacking energy: -14.360 Base-Backbone interact. energy: -0.111 local terms energy: -42.859641 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -12.888 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: 0.136 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: 5 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -192.851858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.851858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.851858 (E_RNA) where: Base-Base interactions energy: -130.941 where: short stacking energy: -52.887 Base-Backbone interact. energy: -0.110 local terms energy: -61.800209 where: bonds (distance) C4'-P energy: -12.651 bonds (distance) P-C4' energy: -11.175 flat angles C4'-P-C4' energy: -15.345 flat angles P-C4'-P energy: -6.814 tors. eta vs tors. theta energy: -15.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -194.047644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.047644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.047644 (E_RNA) where: Base-Base interactions energy: -126.513 where: short stacking energy: -50.847 Base-Backbone interact. energy: -0.057 local terms energy: -67.477659 where: bonds (distance) C4'-P energy: -12.871 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -13.251 flat angles P-C4'-P energy: -7.110 tors. eta vs tors. theta energy: -18.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -183.529944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.529944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.529944 (E_RNA) where: Base-Base interactions energy: -124.017 where: short stacking energy: -49.088 Base-Backbone interact. energy: -0.000 local terms energy: -59.513022 where: bonds (distance) C4'-P energy: -10.509 bonds (distance) P-C4' energy: -12.021 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -7.519 tors. eta vs tors. theta energy: -17.136 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: 4, replica: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -124.524353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.524353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.524353 (E_RNA) where: Base-Base interactions energy: -83.841 where: short stacking energy: -33.125 Base-Backbone interact. energy: -1.154 local terms energy: -39.529094 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -10.300 flat angles P-C4'-P energy: -9.162 tors. eta vs tors. theta energy: -6.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -172.584863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.584863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.584863 (E_RNA) where: Base-Base interactions energy: -116.170 where: short stacking energy: -53.616 Base-Backbone interact. energy: -0.012 local terms energy: -56.402812 where: bonds (distance) C4'-P energy: -10.100 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -14.059 flat angles P-C4'-P energy: -7.318 tors. eta vs tors. theta energy: -11.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -72.653312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.653312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.653312 (E_RNA) where: Base-Base interactions energy: -28.228 where: short stacking energy: -21.513 Base-Backbone interact. energy: -0.096 local terms energy: -44.329037 where: bonds (distance) C4'-P energy: -9.450 bonds (distance) P-C4' energy: -14.847 flat angles C4'-P-C4' energy: -13.471 flat angles P-C4'-P energy: -6.297 tors. eta vs tors. theta energy: -0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -86.700472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.700472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.700472 (E_RNA) where: Base-Base interactions energy: -43.243 where: short stacking energy: -29.921 Base-Backbone interact. energy: -0.024 local terms energy: -43.433223 where: bonds (distance) C4'-P energy: -8.763 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -7.618 tors. eta vs tors. theta energy: -7.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -70.951426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.951426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.951426 (E_RNA) where: Base-Base interactions energy: -26.402 where: short stacking energy: -26.802 Base-Backbone interact. energy: -0.104 local terms energy: -44.446009 where: bonds (distance) C4'-P energy: -9.171 bonds (distance) P-C4' energy: -11.672 flat angles C4'-P-C4' energy: -9.377 flat angles P-C4'-P energy: -10.199 tors. eta vs tors. theta energy: -4.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -70.390762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.390762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.390762 (E_RNA) where: Base-Base interactions energy: -29.699 where: short stacking energy: -15.507 Base-Backbone interact. energy: -0.135 local terms energy: -40.556743 where: bonds (distance) C4'-P energy: -9.835 bonds (distance) P-C4' energy: -14.100 flat angles C4'-P-C4' energy: -10.160 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -1.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -58.432169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.432169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.432169 (E_RNA) where: Base-Base interactions energy: -24.313 where: short stacking energy: -24.313 Base-Backbone interact. energy: 1.415 local terms energy: -35.533941 where: bonds (distance) C4'-P energy: -2.796 bonds (distance) P-C4' energy: -10.853 flat angles C4'-P-C4' energy: -8.492 flat angles P-C4'-P energy: -6.080 tors. eta vs tors. theta energy: -7.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -190.035386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.035386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.035386 (E_RNA) where: Base-Base interactions energy: -126.129 where: short stacking energy: -45.421 Base-Backbone interact. energy: -0.348 local terms energy: -63.558767 where: bonds (distance) C4'-P energy: -10.263 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -14.079 flat angles P-C4'-P energy: -7.363 tors. eta vs tors. theta energy: -16.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -186.077480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.077480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.077480 (E_RNA) where: Base-Base interactions energy: -127.353 where: short stacking energy: -47.132 Base-Backbone interact. energy: -0.086 local terms energy: -58.638312 where: bonds (distance) C4'-P energy: -11.863 bonds (distance) P-C4' energy: -12.576 flat angles C4'-P-C4' energy: -11.214 flat angles P-C4'-P energy: -8.095 tors. eta vs tors. theta energy: -14.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -175.055586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.055586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.055586 (E_RNA) where: Base-Base interactions energy: -111.223 where: short stacking energy: -41.440 Base-Backbone interact. energy: -0.134 local terms energy: -63.699208 where: bonds (distance) C4'-P energy: -13.566 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -13.268 flat angles P-C4'-P energy: -10.998 tors. eta vs tors. theta energy: -11.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -115.621655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.621655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.621655 (E_RNA) where: Base-Base interactions energy: -71.699 where: short stacking energy: -31.811 Base-Backbone interact. energy: -0.163 local terms energy: -43.760125 where: bonds (distance) C4'-P energy: -9.752 bonds (distance) P-C4' energy: -10.443 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -9.487 tors. eta vs tors. theta energy: -8.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -175.124138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.124138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.124138 (E_RNA) where: Base-Base interactions energy: -120.277 where: short stacking energy: -48.604 Base-Backbone interact. energy: -0.439 local terms energy: -54.408162 where: bonds (distance) C4'-P energy: -12.779 bonds (distance) P-C4' energy: -5.451 flat angles C4'-P-C4' energy: -10.104 flat angles P-C4'-P energy: -7.142 tors. eta vs tors. theta energy: -18.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -89.241259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.241259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.241259 (E_RNA) where: Base-Base interactions energy: -54.947 where: short stacking energy: -25.374 Base-Backbone interact. energy: -0.049 local terms energy: -34.245551 where: bonds (distance) C4'-P energy: -9.430 bonds (distance) P-C4' energy: -8.033 flat angles C4'-P-C4' energy: -11.288 flat angles P-C4'-P energy: -2.478 tors. eta vs tors. theta energy: -3.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -73.149500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.149500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.149500 (E_RNA) where: Base-Base interactions energy: -29.237 where: short stacking energy: -26.146 Base-Backbone interact. energy: 0.384 local terms energy: -44.297377 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -10.666 flat angles C4'-P-C4' energy: -10.978 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -3.734 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: 8 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -77.999795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.999795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.999795 (E_RNA) where: Base-Base interactions energy: -31.483 where: short stacking energy: -25.260 Base-Backbone interact. energy: -0.125 local terms energy: -46.391890 where: bonds (distance) C4'-P energy: -11.126 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -12.736 flat angles P-C4'-P energy: -6.392 tors. eta vs tors. theta energy: -3.469 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: 9, replica: 7 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -66.807057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.807057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.807057 (E_RNA) where: Base-Base interactions energy: -33.762 where: short stacking energy: -21.520 Base-Backbone interact. energy: -0.017 local terms energy: -33.027795 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -9.242 flat angles C4'-P-C4' energy: -12.253 flat angles P-C4'-P energy: 0.510 tors. eta vs tors. theta energy: -0.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -61.199431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.199431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.199431 (E_RNA) where: Base-Base interactions energy: -35.241 where: short stacking energy: -35.241 Base-Backbone interact. energy: -0.162 local terms energy: -25.796432 where: bonds (distance) C4'-P energy: 0.692 bonds (distance) P-C4' energy: -11.112 flat angles C4'-P-C4' energy: -7.467 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -4.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -182.943517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.943517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.943517 (E_RNA) where: Base-Base interactions energy: -122.845 where: short stacking energy: -51.781 Base-Backbone interact. energy: -0.002 local terms energy: -60.096995 where: bonds (distance) C4'-P energy: -10.337 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -11.704 tors. eta vs tors. theta energy: -12.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -187.520666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.520666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.520666 (E_RNA) where: Base-Base interactions energy: -129.307 where: short stacking energy: -50.244 Base-Backbone interact. energy: -0.073 local terms energy: -58.141000 where: bonds (distance) C4'-P energy: -10.965 bonds (distance) P-C4' energy: -11.178 flat angles C4'-P-C4' energy: -11.591 flat angles P-C4'-P energy: -12.393 tors. eta vs tors. theta energy: -12.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -179.001717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.001717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.001717 (E_RNA) where: Base-Base interactions energy: -120.527 where: short stacking energy: -49.317 Base-Backbone interact. energy: -0.301 local terms energy: -58.173442 where: bonds (distance) C4'-P energy: -8.793 bonds (distance) P-C4' energy: -11.613 flat angles C4'-P-C4' energy: -12.472 flat angles P-C4'-P energy: -9.821 tors. eta vs tors. theta energy: -15.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -178.134860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.134860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.134860 (E_RNA) where: Base-Base interactions energy: -122.298 where: short stacking energy: -46.665 Base-Backbone interact. energy: 0.152 local terms energy: -55.988659 where: bonds (distance) C4'-P energy: -10.184 bonds (distance) P-C4' energy: -10.085 flat angles C4'-P-C4' energy: -13.451 flat angles P-C4'-P energy: -10.055 tors. eta vs tors. theta energy: -12.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -105.628621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.628621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.628621 (E_RNA) where: Base-Base interactions energy: -62.436 where: short stacking energy: -32.431 Base-Backbone interact. energy: -0.263 local terms energy: -42.929820 where: bonds (distance) C4'-P energy: -10.021 bonds (distance) P-C4' energy: -12.317 flat angles C4'-P-C4' energy: -9.189 flat angles P-C4'-P energy: -2.359 tors. eta vs tors. theta energy: -9.043 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: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -84.560531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.560531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.560531 (E_RNA) where: Base-Base interactions energy: -37.868 where: short stacking energy: -31.462 Base-Backbone interact. energy: -0.041 local terms energy: -46.651990 where: bonds (distance) C4'-P energy: -10.257 bonds (distance) P-C4' energy: -10.939 flat angles C4'-P-C4' energy: -12.983 flat angles P-C4'-P energy: -8.135 tors. eta vs tors. theta energy: -4.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -88.567443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.567443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.567443 (E_RNA) where: Base-Base interactions energy: -44.311 where: short stacking energy: -26.237 Base-Backbone interact. energy: -0.713 local terms energy: -43.543650 where: bonds (distance) C4'-P energy: -13.400 bonds (distance) P-C4' energy: -12.275 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -9.637 tors. eta vs tors. theta energy: -4.007 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: 7 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -68.639232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.639232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.639232 (E_RNA) where: Base-Base interactions energy: -24.719 where: short stacking energy: -24.719 Base-Backbone interact. energy: 0.048 local terms energy: -43.968282 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -12.778 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -6.687 tors. eta vs tors. theta energy: -6.831 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: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -67.435845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.435845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.435845 (E_RNA) where: Base-Base interactions energy: -28.730 where: short stacking energy: -27.251 Base-Backbone interact. energy: 1.536 local terms energy: -40.242126 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -2.541 tors. eta vs tors. theta energy: -6.371 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: 2 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -63.712267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.712267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.712267 (E_RNA) where: Base-Base interactions energy: -26.737 where: short stacking energy: -12.784 Base-Backbone interact. energy: -0.209 local terms energy: -36.766074 where: bonds (distance) C4'-P energy: -10.799 bonds (distance) P-C4' energy: -9.340 flat angles C4'-P-C4' energy: -8.203 flat angles P-C4'-P energy: -8.089 tors. eta vs tors. theta energy: -0.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -189.723313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.723313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.723313 (E_RNA) where: Base-Base interactions energy: -129.671 where: short stacking energy: -51.598 Base-Backbone interact. energy: -0.009 local terms energy: -60.043061 where: bonds (distance) C4'-P energy: -12.314 bonds (distance) P-C4' energy: -13.250 flat angles C4'-P-C4' energy: -13.475 flat angles P-C4'-P energy: -7.224 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: 2, replica: 5 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -186.418285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.418285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.418285 (E_RNA) where: Base-Base interactions energy: -124.035 where: short stacking energy: -50.387 Base-Backbone interact. energy: -0.287 local terms energy: -62.096020 where: bonds (distance) C4'-P energy: -12.749 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -12.004 flat angles P-C4'-P energy: -9.873 tors. eta vs tors. theta energy: -13.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -185.208062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.208062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.208062 (E_RNA) where: Base-Base interactions energy: -121.228 where: short stacking energy: -48.901 Base-Backbone interact. energy: 0.337 local terms energy: -64.317383 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -14.345 flat angles P-C4'-P energy: -8.528 tors. eta vs tors. theta energy: -15.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -178.470709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.470709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.470709 (E_RNA) where: Base-Base interactions energy: -122.999 where: short stacking energy: -55.637 Base-Backbone interact. energy: -0.061 local terms energy: -55.411477 where: bonds (distance) C4'-P energy: -8.748 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -12.170 flat angles P-C4'-P energy: -5.557 tors. eta vs tors. theta energy: -15.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -102.772741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.772741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.772741 (E_RNA) where: Base-Base interactions energy: -54.989 where: short stacking energy: -16.507 Base-Backbone interact. energy: 0.290 local terms energy: -48.073806 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -12.306 flat angles C4'-P-C4' energy: -9.480 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -103.733858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.733858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.733858 (E_RNA) where: Base-Base interactions energy: -59.221 where: short stacking energy: -31.617 Base-Backbone interact. energy: -0.750 local terms energy: -43.762577 where: bonds (distance) C4'-P energy: -8.544 bonds (distance) P-C4' energy: -13.526 flat angles C4'-P-C4' energy: -12.525 flat angles P-C4'-P energy: -4.931 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -71.486455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.486455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.486455 (E_RNA) where: Base-Base interactions energy: -33.646 where: short stacking energy: -13.528 Base-Backbone interact. energy: -0.726 local terms energy: -37.115094 where: bonds (distance) C4'-P energy: -10.527 bonds (distance) P-C4' energy: -13.889 flat angles C4'-P-C4' energy: -11.477 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: 4.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -119.252305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.252305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.252305 (E_RNA) where: Base-Base interactions energy: -80.773 where: short stacking energy: -30.866 Base-Backbone interact. energy: -0.471 local terms energy: -38.007995 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -13.044 flat angles C4'-P-C4' energy: -10.644 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -2.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -73.073927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.073927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.073927 (E_RNA) where: Base-Base interactions energy: -28.175 where: short stacking energy: -16.717 Base-Backbone interact. energy: -0.039 local terms energy: -44.860268 where: bonds (distance) C4'-P energy: -7.914 bonds (distance) P-C4' energy: -12.336 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -8.461 tors. eta vs tors. theta energy: -3.191 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: 10, replica: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -63.992068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.992068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.992068 (E_RNA) where: Base-Base interactions energy: -27.860 where: short stacking energy: -27.860 Base-Backbone interact. energy: 2.547 local terms energy: -38.678697 where: bonds (distance) C4'-P energy: -13.656 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -3.019 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: -4.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -195.532588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.532588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.532588 (E_RNA) where: Base-Base interactions energy: -133.872 where: short stacking energy: -47.701 Base-Backbone interact. energy: -0.192 local terms energy: -61.468816 where: bonds (distance) C4'-P energy: -13.081 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -7.532 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: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -187.416089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.416089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.416089 (E_RNA) where: Base-Base interactions energy: -126.417 where: short stacking energy: -52.405 Base-Backbone interact. energy: -0.086 local terms energy: -60.912495 where: bonds (distance) C4'-P energy: -10.634 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -12.846 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -16.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -182.301685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.301685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.301685 (E_RNA) where: Base-Base interactions energy: -129.897 where: short stacking energy: -48.885 Base-Backbone interact. energy: -0.010 local terms energy: -52.394784 where: bonds (distance) C4'-P energy: -10.518 bonds (distance) P-C4' energy: -9.548 flat angles C4'-P-C4' energy: -11.955 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: -12.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -180.740269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.740269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.740269 (E_RNA) where: Base-Base interactions energy: -122.245 where: short stacking energy: -53.918 Base-Backbone interact. energy: -0.054 local terms energy: -58.440671 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -10.571 flat angles P-C4'-P energy: -6.754 tors. eta vs tors. theta energy: -14.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -114.668384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.668384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.668384 (E_RNA) where: Base-Base interactions energy: -51.300 where: short stacking energy: -36.999 Base-Backbone interact. energy: -0.003 local terms energy: -63.365171 where: bonds (distance) C4'-P energy: -12.088 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -13.495 flat angles P-C4'-P energy: -10.499 tors. eta vs tors. theta energy: -12.634 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: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -78.744973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.744973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.744973 (E_RNA) where: Base-Base interactions energy: -34.702 where: short stacking energy: -31.119 Base-Backbone interact. energy: -0.068 local terms energy: -43.975417 where: bonds (distance) C4'-P energy: -11.723 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -9.874 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -4.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -118.903823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.903823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.903823 (E_RNA) where: Base-Base interactions energy: -75.534 where: short stacking energy: -36.071 Base-Backbone interact. energy: -0.005 local terms energy: -43.365015 where: bonds (distance) C4'-P energy: -10.341 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -8.795 flat angles P-C4'-P energy: -3.535 tors. eta vs tors. theta energy: -8.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -151.837629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.837629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.837629 (E_RNA) where: Base-Base interactions energy: -98.965 where: short stacking energy: -43.532 Base-Backbone interact. energy: -0.087 local terms energy: -52.785703 where: bonds (distance) C4'-P energy: -13.545 bonds (distance) P-C4' energy: -11.684 flat angles C4'-P-C4' energy: -11.272 flat angles P-C4'-P energy: -7.149 tors. eta vs tors. theta energy: -9.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -72.009404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.009404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.009404 (E_RNA) where: Base-Base interactions energy: -31.536 where: short stacking energy: -27.749 Base-Backbone interact. energy: -0.004 local terms energy: -40.469282 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -8.508 tors. eta vs tors. theta energy: -5.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -67.134683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.134683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.134683 (E_RNA) where: Base-Base interactions energy: -27.808 where: short stacking energy: -19.735 Base-Backbone interact. energy: 0.504 local terms energy: -39.831588 where: bonds (distance) C4'-P energy: -8.894 bonds (distance) P-C4' energy: -13.534 flat angles C4'-P-C4' energy: -9.027 flat angles P-C4'-P energy: -6.227 tors. eta vs tors. theta energy: -2.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -196.936377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.936377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.936377 (E_RNA) where: Base-Base interactions energy: -135.622 where: short stacking energy: -51.036 Base-Backbone interact. energy: 0.120 local terms energy: -61.434077 where: bonds (distance) C4'-P energy: -12.427 bonds (distance) P-C4' energy: -11.921 flat angles C4'-P-C4' energy: -11.041 flat angles P-C4'-P energy: -9.512 tors. eta vs tors. theta energy: -16.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -185.512178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.512178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.512178 (E_RNA) where: Base-Base interactions energy: -128.477 where: short stacking energy: -45.694 Base-Backbone interact. energy: -0.339 local terms energy: -56.695829 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -8.209 tors. eta vs tors. theta energy: -12.801 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: 26 Temperature: 1.000000 Total energy: -186.141829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.141829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.141829 (E_RNA) where: Base-Base interactions energy: -128.250 where: short stacking energy: -53.621 Base-Backbone interact. energy: -0.001 local terms energy: -57.890697 where: bonds (distance) C4'-P energy: -13.318 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -10.017 flat angles P-C4'-P energy: -5.721 tors. eta vs tors. theta energy: -15.451 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: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -182.549317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.549317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.549317 (E_RNA) where: Base-Base interactions energy: -118.302 where: short stacking energy: -51.063 Base-Backbone interact. energy: -0.049 local terms energy: -64.198078 where: bonds (distance) C4'-P energy: -13.243 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -14.500 flat angles P-C4'-P energy: -7.431 tors. eta vs tors. theta energy: -15.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -89.074281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.074281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.074281 (E_RNA) where: Base-Base interactions energy: -46.582 where: short stacking energy: -31.565 Base-Backbone interact. energy: -0.298 local terms energy: -42.193894 where: bonds (distance) C4'-P energy: -11.827 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -13.261 flat angles P-C4'-P energy: -6.394 tors. eta vs tors. theta energy: -3.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -82.894797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.894797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.894797 (E_RNA) where: Base-Base interactions energy: -40.536 where: short stacking energy: -29.576 Base-Backbone interact. energy: -0.004 local terms energy: -42.354970 where: bonds (distance) C4'-P energy: -9.277 bonds (distance) P-C4' energy: -11.326 flat angles C4'-P-C4' energy: -9.535 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -5.851 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: 4 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -175.180732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.180732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.180732 (E_RNA) where: Base-Base interactions energy: -117.555 where: short stacking energy: -49.762 Base-Backbone interact. energy: -0.004 local terms energy: -57.621294 where: bonds (distance) C4'-P energy: -11.206 bonds (distance) P-C4' energy: -11.716 flat angles C4'-P-C4' energy: -8.374 flat angles P-C4'-P energy: -11.907 tors. eta vs tors. theta energy: -14.418 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: 9 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -108.489788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.489788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.489788 (E_RNA) where: Base-Base interactions energy: -61.343 where: short stacking energy: -17.681 Base-Backbone interact. energy: -0.050 local terms energy: -47.097241 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -13.638 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -10.237 tors. eta vs tors. theta energy: -4.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -76.245608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.245608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.245608 (E_RNA) where: Base-Base interactions energy: -27.282 where: short stacking energy: -24.169 Base-Backbone interact. energy: -0.295 local terms energy: -48.668987 where: bonds (distance) C4'-P energy: -13.292 bonds (distance) P-C4' energy: -9.883 flat angles C4'-P-C4' energy: -12.322 flat angles P-C4'-P energy: -10.006 tors. eta vs tors. theta energy: -3.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -64.407709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.407709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.407709 (E_RNA) where: Base-Base interactions energy: -23.077 where: short stacking energy: -20.118 Base-Backbone interact. energy: 0.081 local terms energy: -41.412319 where: bonds (distance) C4'-P energy: -11.867 bonds (distance) P-C4' energy: -12.274 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -7.539 tors. eta vs tors. theta energy: -3.792 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: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -194.645946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.645946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.645946 (E_RNA) where: Base-Base interactions energy: -127.111 where: short stacking energy: -51.310 Base-Backbone interact. energy: -1.382 local terms energy: -66.152412 where: bonds (distance) C4'-P energy: -14.504 bonds (distance) P-C4' energy: -14.217 flat angles C4'-P-C4' energy: -13.149 flat angles P-C4'-P energy: -8.787 tors. eta vs tors. theta energy: -15.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -188.814268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.814268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.814268 (E_RNA) where: Base-Base interactions energy: -124.521 where: short stacking energy: -52.724 Base-Backbone interact. energy: -0.244 local terms energy: -64.049120 where: bonds (distance) C4'-P energy: -12.478 bonds (distance) P-C4' energy: -13.338 flat angles C4'-P-C4' energy: -13.791 flat angles P-C4'-P energy: -9.108 tors. eta vs tors. theta energy: -15.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -179.318630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.318630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.318630 (E_RNA) where: Base-Base interactions energy: -120.074 where: short stacking energy: -48.676 Base-Backbone interact. energy: -0.146 local terms energy: -59.098826 where: bonds (distance) C4'-P energy: -12.591 bonds (distance) P-C4' energy: -12.402 flat angles C4'-P-C4' energy: -14.563 flat angles P-C4'-P energy: -6.316 tors. eta vs tors. theta energy: -13.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -180.511470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.511470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.511470 (E_RNA) where: Base-Base interactions energy: -115.910 where: short stacking energy: -47.713 Base-Backbone interact. energy: -0.002 local terms energy: -64.598647 where: bonds (distance) C4'-P energy: -13.752 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -10.740 flat angles P-C4'-P energy: -10.154 tors. eta vs tors. theta energy: -15.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -145.862605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.862605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.862605 (E_RNA) where: Base-Base interactions energy: -97.802 where: short stacking energy: -38.504 Base-Backbone interact. energy: -0.072 local terms energy: -47.988451 where: bonds (distance) C4'-P energy: -8.386 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -9.869 flat angles P-C4'-P energy: -6.292 tors. eta vs tors. theta energy: -9.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -171.084642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.084642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.084642 (E_RNA) where: Base-Base interactions energy: -116.646 where: short stacking energy: -39.418 Base-Backbone interact. energy: -0.121 local terms energy: -54.317411 where: bonds (distance) C4'-P energy: -14.021 bonds (distance) P-C4' energy: -10.517 flat angles C4'-P-C4' energy: -12.792 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -11.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -70.112105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.112105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.112105 (E_RNA) where: Base-Base interactions energy: -25.779 where: short stacking energy: -16.608 Base-Backbone interact. energy: -0.113 local terms energy: -44.220090 where: bonds (distance) C4'-P energy: -9.384 bonds (distance) P-C4' energy: -13.842 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -8.934 tors. eta vs tors. theta energy: -4.679 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: 8, replica: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -73.519768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.519768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.519768 (E_RNA) where: Base-Base interactions energy: -23.163 where: short stacking energy: -20.120 Base-Backbone interact. energy: -0.315 local terms energy: -50.041448 where: bonds (distance) C4'-P energy: -10.787 bonds (distance) P-C4' energy: -13.378 flat angles C4'-P-C4' energy: -12.698 flat angles P-C4'-P energy: -8.985 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: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -82.752058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.752058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.752058 (E_RNA) where: Base-Base interactions energy: -30.455 where: short stacking energy: -30.455 Base-Backbone interact. energy: -0.036 local terms energy: -52.261109 where: bonds (distance) C4'-P energy: -11.640 bonds (distance) P-C4' energy: -14.003 flat angles C4'-P-C4' energy: -10.872 flat angles P-C4'-P energy: -6.864 tors. eta vs tors. theta energy: -8.882 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: 2 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -82.361571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.361571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.361571 (E_RNA) where: Base-Base interactions energy: -39.971 where: short stacking energy: -24.576 Base-Backbone interact. energy: -0.081 local terms energy: -42.309652 where: bonds (distance) C4'-P energy: -11.583 bonds (distance) P-C4' energy: -9.266 flat angles C4'-P-C4' energy: -13.116 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -2.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -190.261085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.261085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.261085 (E_RNA) where: Base-Base interactions energy: -125.985 where: short stacking energy: -48.740 Base-Backbone interact. energy: -0.701 local terms energy: -63.575009 where: bonds (distance) C4'-P energy: -13.061 bonds (distance) P-C4' energy: -14.189 flat angles C4'-P-C4' energy: -12.288 flat angles P-C4'-P energy: -8.185 tors. eta vs tors. theta energy: -15.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -184.338219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.338219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.338219 (E_RNA) where: Base-Base interactions energy: -121.771 where: short stacking energy: -47.490 Base-Backbone interact. energy: -0.523 local terms energy: -62.045193 where: bonds (distance) C4'-P energy: -11.714 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -12.885 flat angles P-C4'-P energy: -8.400 tors. eta vs tors. theta energy: -15.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -180.890090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.890090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.890090 (E_RNA) where: Base-Base interactions energy: -119.121 where: short stacking energy: -48.641 Base-Backbone interact. energy: -0.095 local terms energy: -61.674356 where: bonds (distance) C4'-P energy: -13.594 bonds (distance) P-C4' energy: -13.071 flat angles C4'-P-C4' energy: -11.455 flat angles P-C4'-P energy: -8.697 tors. eta vs tors. theta energy: -14.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -184.013577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.013577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.013577 (E_RNA) where: Base-Base interactions energy: -129.298 where: short stacking energy: -54.884 Base-Backbone interact. energy: -0.073 local terms energy: -54.643275 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -9.763 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -14.754 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: 4 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -176.926707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.926707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.926707 (E_RNA) where: Base-Base interactions energy: -125.144 where: short stacking energy: -50.121 Base-Backbone interact. energy: -0.005 local terms energy: -51.777275 where: bonds (distance) C4'-P energy: -8.780 bonds (distance) P-C4' energy: -13.813 flat angles C4'-P-C4' energy: -10.031 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -13.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -162.944020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.944020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.944020 (E_RNA) where: Base-Base interactions energy: -108.145 where: short stacking energy: -43.381 Base-Backbone interact. energy: -0.579 local terms energy: -54.219188 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -12.229 flat angles C4'-P-C4' energy: -14.618 flat angles P-C4'-P energy: -7.470 tors. eta vs tors. theta energy: -12.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -70.114823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.114823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.114823 (E_RNA) where: Base-Base interactions energy: -28.156 where: short stacking energy: -22.781 Base-Backbone interact. energy: -0.114 local terms energy: -41.844614 where: bonds (distance) C4'-P energy: -10.371 bonds (distance) P-C4' energy: -13.702 flat angles C4'-P-C4' energy: -10.067 flat angles P-C4'-P energy: -7.577 tors. eta vs tors. theta energy: -0.128 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: 7 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -73.910795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.910795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.910795 (E_RNA) where: Base-Base interactions energy: -30.296 where: short stacking energy: -30.296 Base-Backbone interact. energy: -0.063 local terms energy: -43.551551 where: bonds (distance) C4'-P energy: -10.390 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -9.894 flat angles P-C4'-P energy: -9.472 tors. eta vs tors. theta energy: -1.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -85.020721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.020721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.020721 (E_RNA) where: Base-Base interactions energy: -47.539 where: short stacking energy: -20.034 Base-Backbone interact. energy: 0.123 local terms energy: -37.604854 where: bonds (distance) C4'-P energy: -10.814 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -8.548 flat angles P-C4'-P energy: -6.524 tors. eta vs tors. theta energy: 1.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -61.779221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.779221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.779221 (E_RNA) where: Base-Base interactions energy: -25.388 where: short stacking energy: -20.866 Base-Backbone interact. energy: -0.045 local terms energy: -36.345463 where: bonds (distance) C4'-P energy: -12.096 bonds (distance) P-C4' energy: -4.661 flat angles C4'-P-C4' energy: -7.184 flat angles P-C4'-P energy: -6.985 tors. eta vs tors. theta energy: -5.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -188.546975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.546975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.546975 (E_RNA) where: Base-Base interactions energy: -125.935 where: short stacking energy: -50.412 Base-Backbone interact. energy: -0.595 local terms energy: -62.016252 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -6.309 tors. eta vs tors. theta energy: -14.339 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: 1 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -187.847054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.847054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.847054 (E_RNA) where: Base-Base interactions energy: -128.410 where: short stacking energy: -48.967 Base-Backbone interact. energy: -0.082 local terms energy: -59.354739 where: bonds (distance) C4'-P energy: -12.042 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -14.863 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: -12.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -188.095687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.095687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.095687 (E_RNA) where: Base-Base interactions energy: -124.885 where: short stacking energy: -49.231 Base-Backbone interact. energy: -0.002 local terms energy: -63.209586 where: bonds (distance) C4'-P energy: -14.340 bonds (distance) P-C4' energy: -13.518 flat angles C4'-P-C4' energy: -13.755 flat angles P-C4'-P energy: -6.335 tors. eta vs tors. theta energy: -15.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -171.454844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.454844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.454844 (E_RNA) where: Base-Base interactions energy: -117.418 where: short stacking energy: -46.905 Base-Backbone interact. energy: 1.298 local terms energy: -55.334069 where: bonds (distance) C4'-P energy: -11.251 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -13.248 flat angles P-C4'-P energy: -9.462 tors. eta vs tors. theta energy: -9.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -185.645678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.645678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.645678 (E_RNA) where: Base-Base interactions energy: -130.970 where: short stacking energy: -51.678 Base-Backbone interact. energy: -1.054 local terms energy: -53.621389 where: bonds (distance) C4'-P energy: -9.074 bonds (distance) P-C4' energy: -11.232 flat angles C4'-P-C4' energy: -12.207 flat angles P-C4'-P energy: -9.224 tors. eta vs tors. theta energy: -11.884 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: 3 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -168.802824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.802824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.802824 (E_RNA) where: Base-Base interactions energy: -104.065 where: short stacking energy: -43.040 Base-Backbone interact. energy: -0.807 local terms energy: -63.930166 where: bonds (distance) C4'-P energy: -14.857 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -12.727 flat angles P-C4'-P energy: -8.834 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: 7, replica: 8 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -86.346571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.346571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.346571 (E_RNA) where: Base-Base interactions energy: -47.062 where: short stacking energy: -25.492 Base-Backbone interact. energy: -0.227 local terms energy: -39.057196 where: bonds (distance) C4'-P energy: -4.817 bonds (distance) P-C4' energy: -11.640 flat angles C4'-P-C4' energy: -12.133 flat angles P-C4'-P energy: -4.392 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: 8, replica: 2 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -62.523130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.523130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.523130 (E_RNA) where: Base-Base interactions energy: -24.910 where: short stacking energy: -23.570 Base-Backbone interact. energy: -0.148 local terms energy: -37.465068 where: bonds (distance) C4'-P energy: -13.152 bonds (distance) P-C4' energy: -8.968 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -64.582700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.582700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.582700 (E_RNA) where: Base-Base interactions energy: -18.688 where: short stacking energy: -12.334 Base-Backbone interact. energy: -0.136 local terms energy: -45.759049 where: bonds (distance) C4'-P energy: -14.046 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -11.477 flat angles P-C4'-P energy: -8.686 tors. eta vs tors. theta energy: 2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -73.504552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.504552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.504552 (E_RNA) where: Base-Base interactions energy: -32.190 where: short stacking energy: -22.735 Base-Backbone interact. energy: 0.123 local terms energy: -41.437227 where: bonds (distance) C4'-P energy: -10.619 bonds (distance) P-C4' energy: -8.906 flat angles C4'-P-C4' energy: -8.472 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -3.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -183.568027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.568027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.568027 (E_RNA) where: Base-Base interactions energy: -130.239 where: short stacking energy: -54.903 Base-Backbone interact. energy: -0.866 local terms energy: -52.462989 where: bonds (distance) C4'-P energy: -8.275 bonds (distance) P-C4' energy: -9.692 flat angles C4'-P-C4' energy: -14.044 flat angles P-C4'-P energy: -7.409 tors. eta vs tors. theta energy: -13.043 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: 5 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -188.063906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.063906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.063906 (E_RNA) where: Base-Base interactions energy: -125.739 where: short stacking energy: -50.388 Base-Backbone interact. energy: -0.774 local terms energy: -61.551693 where: bonds (distance) C4'-P energy: -14.410 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -11.935 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -16.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -184.285446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.285446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.285446 (E_RNA) where: Base-Base interactions energy: -125.073 where: short stacking energy: -50.425 Base-Backbone interact. energy: -0.332 local terms energy: -58.879971 where: bonds (distance) C4'-P energy: -12.713 bonds (distance) P-C4' energy: -11.504 flat angles C4'-P-C4' energy: -11.544 flat angles P-C4'-P energy: -7.601 tors. eta vs tors. theta energy: -15.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -185.161200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.161200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.161200 (E_RNA) where: Base-Base interactions energy: -125.216 where: short stacking energy: -49.882 Base-Backbone interact. energy: 0.871 local terms energy: -60.816379 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -14.772 flat angles C4'-P-C4' energy: -12.013 flat angles P-C4'-P energy: -9.389 tors. eta vs tors. theta energy: -12.591 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: 30 Temperature: 1.100000 Total energy: -175.731210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.731210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.731210 (E_RNA) where: Base-Base interactions energy: -118.120 where: short stacking energy: -47.444 Base-Backbone interact. energy: -0.081 local terms energy: -57.530682 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -14.005 flat angles C4'-P-C4' energy: -13.932 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -12.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -175.970961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.970961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.970961 (E_RNA) where: Base-Base interactions energy: -126.093 where: short stacking energy: -44.237 Base-Backbone interact. energy: -0.093 local terms energy: -49.784585 where: bonds (distance) C4'-P energy: -9.617 bonds (distance) P-C4' energy: -7.642 flat angles C4'-P-C4' energy: -10.571 flat angles P-C4'-P energy: -8.841 tors. eta vs tors. theta energy: -13.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -76.785484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.785484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.785484 (E_RNA) where: Base-Base interactions energy: -29.554 where: short stacking energy: -26.033 Base-Backbone interact. energy: -0.032 local terms energy: -47.199711 where: bonds (distance) C4'-P energy: -11.534 bonds (distance) P-C4' energy: -10.511 flat angles C4'-P-C4' energy: -10.074 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -8.638 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: 8 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -77.235425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.235425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.235425 (E_RNA) where: Base-Base interactions energy: -37.399 where: short stacking energy: -18.507 Base-Backbone interact. energy: -0.189 local terms energy: -39.647254 where: bonds (distance) C4'-P energy: -10.151 bonds (distance) P-C4' energy: -11.088 flat angles C4'-P-C4' energy: -8.975 flat angles P-C4'-P energy: -8.402 tors. eta vs tors. theta energy: -1.031 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: 7 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -74.337803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.337803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.337803 (E_RNA) where: Base-Base interactions energy: -30.939 where: short stacking energy: -30.939 Base-Backbone interact. energy: -0.067 local terms energy: -43.331016 where: bonds (distance) C4'-P energy: -9.587 bonds (distance) P-C4' energy: -10.750 flat angles C4'-P-C4' energy: -9.096 flat angles P-C4'-P energy: -7.669 tors. eta vs tors. theta energy: -6.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -57.832217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.832217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.832217 (E_RNA) where: Base-Base interactions energy: -17.971 where: short stacking energy: -17.728 Base-Backbone interact. energy: -0.130 local terms energy: -39.731340 where: bonds (distance) C4'-P energy: -11.540 bonds (distance) P-C4' energy: -11.867 flat angles C4'-P-C4' energy: -10.310 flat angles P-C4'-P energy: -7.814 tors. eta vs tors. theta energy: 1.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -192.596793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.596793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.596793 (E_RNA) where: Base-Base interactions energy: -127.866 where: short stacking energy: -49.631 Base-Backbone interact. energy: -0.077 local terms energy: -64.654147 where: bonds (distance) C4'-P energy: -13.710 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -13.511 flat angles P-C4'-P energy: -5.861 tors. eta vs tors. theta energy: -18.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -180.134482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.134482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.134482 (E_RNA) where: Base-Base interactions energy: -121.989 where: short stacking energy: -47.073 Base-Backbone interact. energy: -0.005 local terms energy: -58.141321 where: bonds (distance) C4'-P energy: -11.451 bonds (distance) P-C4' energy: -11.346 flat angles C4'-P-C4' energy: -13.197 flat angles P-C4'-P energy: -10.560 tors. eta vs tors. theta energy: -11.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -180.184809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.184809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.184809 (E_RNA) where: Base-Base interactions energy: -117.686 where: short stacking energy: -47.367 Base-Backbone interact. energy: -0.000 local terms energy: -62.498668 where: bonds (distance) C4'-P energy: -11.765 bonds (distance) P-C4' energy: -12.169 flat angles C4'-P-C4' energy: -10.358 flat angles P-C4'-P energy: -11.719 tors. eta vs tors. theta energy: -16.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -191.208382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.208382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.208382 (E_RNA) where: Base-Base interactions energy: -132.850 where: short stacking energy: -54.508 Base-Backbone interact. energy: -0.042 local terms energy: -58.315804 where: bonds (distance) C4'-P energy: -12.042 bonds (distance) P-C4' energy: -12.070 flat angles C4'-P-C4' energy: -13.943 flat angles P-C4'-P energy: -6.705 tors. eta vs tors. theta energy: -13.555 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: 6 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -173.223691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.223691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.223691 (E_RNA) where: Base-Base interactions energy: -113.830 where: short stacking energy: -50.407 Base-Backbone interact. energy: -0.014 local terms energy: -59.380252 where: bonds (distance) C4'-P energy: -10.510 bonds (distance) P-C4' energy: -13.629 flat angles C4'-P-C4' energy: -13.092 flat angles P-C4'-P energy: -9.707 tors. eta vs tors. theta energy: -12.443 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: 10 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -168.979617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.979617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.979617 (E_RNA) where: Base-Base interactions energy: -113.792 where: short stacking energy: -46.691 Base-Backbone interact. energy: -0.553 local terms energy: -54.634594 where: bonds (distance) C4'-P energy: -8.570 bonds (distance) P-C4' energy: -8.776 flat angles C4'-P-C4' energy: -12.487 flat angles P-C4'-P energy: -9.932 tors. eta vs tors. theta energy: -14.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -72.820515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.820515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.820515 (E_RNA) where: Base-Base interactions energy: -21.743 where: short stacking energy: -16.073 Base-Backbone interact. energy: -0.269 local terms energy: -50.807841 where: bonds (distance) C4'-P energy: -13.379 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -12.697 flat angles P-C4'-P energy: -7.325 tors. eta vs tors. theta energy: -3.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -65.548369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.548369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.548369 (E_RNA) where: Base-Base interactions energy: -20.517 where: short stacking energy: -19.219 Base-Backbone interact. energy: -0.118 local terms energy: -44.913114 where: bonds (distance) C4'-P energy: -9.337 bonds (distance) P-C4' energy: -11.014 flat angles C4'-P-C4' energy: -12.729 flat angles P-C4'-P energy: -7.478 tors. eta vs tors. theta energy: -4.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -62.482079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.482079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.482079 (E_RNA) where: Base-Base interactions energy: -22.449 where: short stacking energy: -14.153 Base-Backbone interact. energy: -0.007 local terms energy: -40.025942 where: bonds (distance) C4'-P energy: -6.643 bonds (distance) P-C4' energy: -10.342 flat angles C4'-P-C4' energy: -10.583 flat angles P-C4'-P energy: -7.057 tors. eta vs tors. theta energy: -5.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -57.947608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.947608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.947608 (E_RNA) where: Base-Base interactions energy: -20.313 where: short stacking energy: -20.313 Base-Backbone interact. energy: -0.028 local terms energy: -37.606073 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -9.011 flat angles C4'-P-C4' energy: -15.674 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -0.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -188.050531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.050531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.050531 (E_RNA) where: Base-Base interactions energy: -124.329 where: short stacking energy: -56.599 Base-Backbone interact. energy: -0.003 local terms energy: -63.717797 where: bonds (distance) C4'-P energy: -11.426 bonds (distance) P-C4' energy: -12.441 flat angles C4'-P-C4' energy: -14.166 flat angles P-C4'-P energy: -10.660 tors. eta vs tors. theta energy: -15.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -185.301914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.301914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.301914 (E_RNA) where: Base-Base interactions energy: -127.623 where: short stacking energy: -50.989 Base-Backbone interact. energy: -0.755 local terms energy: -56.923652 where: bonds (distance) C4'-P energy: -9.086 bonds (distance) P-C4' energy: -10.038 flat angles C4'-P-C4' energy: -13.940 flat angles P-C4'-P energy: -8.543 tors. eta vs tors. theta energy: -15.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -187.260946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.260946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.260946 (E_RNA) where: Base-Base interactions energy: -126.959 where: short stacking energy: -46.754 Base-Backbone interact. energy: -0.049 local terms energy: -60.252351 where: bonds (distance) C4'-P energy: -14.071 bonds (distance) P-C4' energy: -9.574 flat angles C4'-P-C4' energy: -13.856 flat angles P-C4'-P energy: -10.009 tors. eta vs tors. theta energy: -12.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -183.752855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.752855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.752855 (E_RNA) where: Base-Base interactions energy: -124.298 where: short stacking energy: -60.198 Base-Backbone interact. energy: -0.011 local terms energy: -59.444070 where: bonds (distance) C4'-P energy: -10.097 bonds (distance) P-C4' energy: -11.270 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -9.384 tors. eta vs tors. theta energy: -15.329 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: 6 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -173.261310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.261310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.261310 (E_RNA) where: Base-Base interactions energy: -116.163 where: short stacking energy: -48.964 Base-Backbone interact. energy: -0.331 local terms energy: -56.767210 where: bonds (distance) C4'-P energy: -11.533 bonds (distance) P-C4' energy: -9.561 flat angles C4'-P-C4' energy: -14.643 flat angles P-C4'-P energy: -7.504 tors. eta vs tors. theta energy: -13.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -174.934317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.934317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.934317 (E_RNA) where: Base-Base interactions energy: -121.223 where: short stacking energy: -44.109 Base-Backbone interact. energy: -0.061 local terms energy: -53.649851 where: bonds (distance) C4'-P energy: -12.643 bonds (distance) P-C4' energy: -9.979 flat angles C4'-P-C4' energy: -6.805 flat angles P-C4'-P energy: -9.041 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: 7, replica: 7 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -68.573581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.573581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.573581 (E_RNA) where: Base-Base interactions energy: -19.622 where: short stacking energy: -19.622 Base-Backbone interact. energy: -0.049 local terms energy: -48.902772 where: bonds (distance) C4'-P energy: -12.953 bonds (distance) P-C4' energy: -12.592 flat angles C4'-P-C4' energy: -9.682 flat angles P-C4'-P energy: -10.291 tors. eta vs tors. theta energy: -3.385 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: 8, replica: 2 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -72.273237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.273237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.273237 (E_RNA) where: Base-Base interactions energy: -29.454 where: short stacking energy: -22.446 Base-Backbone interact. energy: -0.099 local terms energy: -42.719643 where: bonds (distance) C4'-P energy: -10.514 bonds (distance) P-C4' energy: -10.427 flat angles C4'-P-C4' energy: -11.132 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -5.683 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: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -68.823263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.823263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.823263 (E_RNA) where: Base-Base interactions energy: -25.487 where: short stacking energy: -25.487 Base-Backbone interact. energy: -0.060 local terms energy: -43.275607 where: bonds (distance) C4'-P energy: -8.755 bonds (distance) P-C4' energy: -12.356 flat angles C4'-P-C4' energy: -11.915 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -6.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -64.918877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.918877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.918877 (E_RNA) where: Base-Base interactions energy: -28.690 where: short stacking energy: -23.735 Base-Backbone interact. energy: 0.149 local terms energy: -36.377656 where: bonds (distance) C4'-P energy: -9.139 bonds (distance) P-C4' energy: -9.229 flat angles C4'-P-C4' energy: -8.454 flat angles P-C4'-P energy: -6.922 tors. eta vs tors. theta energy: -2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -190.054502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.054502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.054502 (E_RNA) where: Base-Base interactions energy: -129.844 where: short stacking energy: -52.820 Base-Backbone interact. energy: -0.032 local terms energy: -60.177944 where: bonds (distance) C4'-P energy: -11.351 bonds (distance) P-C4' energy: -12.825 flat angles C4'-P-C4' energy: -14.604 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -15.774 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: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -187.649549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.649549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.649549 (E_RNA) where: Base-Base interactions energy: -128.223 where: short stacking energy: -52.215 Base-Backbone interact. energy: -0.495 local terms energy: -58.931764 where: bonds (distance) C4'-P energy: -11.277 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -13.807 flat angles P-C4'-P energy: -6.079 tors. eta vs tors. theta energy: -17.325 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: 1 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -181.625285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.625285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.625285 (E_RNA) where: Base-Base interactions energy: -120.275 where: short stacking energy: -47.206 Base-Backbone interact. energy: -0.504 local terms energy: -60.846616 where: bonds (distance) C4'-P energy: -11.747 bonds (distance) P-C4' energy: -11.573 flat angles C4'-P-C4' energy: -10.823 flat angles P-C4'-P energy: -9.187 tors. eta vs tors. theta energy: -17.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -182.227133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.227133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.227133 (E_RNA) where: Base-Base interactions energy: -123.215 where: short stacking energy: -50.553 Base-Backbone interact. energy: -0.000 local terms energy: -59.012244 where: bonds (distance) C4'-P energy: -11.093 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -7.783 tors. eta vs tors. theta energy: -13.921 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: 5, replica: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -174.227606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.227606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.227606 (E_RNA) where: Base-Base interactions energy: -117.811 where: short stacking energy: -44.151 Base-Backbone interact. energy: 0.559 local terms energy: -56.975677 where: bonds (distance) C4'-P energy: -12.331 bonds (distance) P-C4' energy: -11.116 flat angles C4'-P-C4' energy: -9.551 flat angles P-C4'-P energy: -7.556 tors. eta vs tors. theta energy: -16.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -175.964299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.964299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.964299 (E_RNA) where: Base-Base interactions energy: -115.693 where: short stacking energy: -46.926 Base-Backbone interact. energy: -0.336 local terms energy: -59.935101 where: bonds (distance) C4'-P energy: -15.275 bonds (distance) P-C4' energy: -12.116 flat angles C4'-P-C4' energy: -13.066 flat angles P-C4'-P energy: -7.227 tors. eta vs tors. theta energy: -12.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -74.478216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.478216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.478216 (E_RNA) where: Base-Base interactions energy: -24.342 where: short stacking energy: -24.342 Base-Backbone interact. energy: 0.198 local terms energy: -50.334344 where: bonds (distance) C4'-P energy: -12.405 bonds (distance) P-C4' energy: -10.812 flat angles C4'-P-C4' energy: -11.377 flat angles P-C4'-P energy: -11.924 tors. eta vs tors. theta energy: -3.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -64.405017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.405017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.405017 (E_RNA) where: Base-Base interactions energy: -26.117 where: short stacking energy: -26.117 Base-Backbone interact. energy: -0.074 local terms energy: -38.213929 where: bonds (distance) C4'-P energy: -10.320 bonds (distance) P-C4' energy: -7.160 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -7.354 tors. eta vs tors. theta energy: -6.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -83.585748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.585748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.585748 (E_RNA) where: Base-Base interactions energy: -37.442 where: short stacking energy: -11.894 Base-Backbone interact. energy: -0.048 local terms energy: -46.096282 where: bonds (distance) C4'-P energy: -9.352 bonds (distance) P-C4' energy: -13.744 flat angles C4'-P-C4' energy: -13.368 flat angles P-C4'-P energy: -7.834 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: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -61.890379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.890379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.890379 (E_RNA) where: Base-Base interactions energy: -25.265 where: short stacking energy: -16.997 Base-Backbone interact. energy: 0.365 local terms energy: -36.990297 where: bonds (distance) C4'-P energy: -8.829 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -7.936 flat angles P-C4'-P energy: -9.868 tors. eta vs tors. theta energy: 3.228 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: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -191.170792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.170792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.170792 (E_RNA) where: Base-Base interactions energy: -131.386 where: short stacking energy: -53.025 Base-Backbone interact. energy: -0.195 local terms energy: -59.589467 where: bonds (distance) C4'-P energy: -11.144 bonds (distance) P-C4' energy: -12.129 flat angles C4'-P-C4' energy: -13.776 flat angles P-C4'-P energy: -6.814 tors. eta vs tors. theta energy: -15.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -183.704199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.704199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.704199 (E_RNA) where: Base-Base interactions energy: -120.617 where: short stacking energy: -49.897 Base-Backbone interact. energy: -0.385 local terms energy: -62.702268 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -13.380 flat angles C4'-P-C4' energy: -13.796 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -14.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -181.386657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.386657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.386657 (E_RNA) where: Base-Base interactions energy: -123.023 where: short stacking energy: -51.729 Base-Backbone interact. energy: -0.010 local terms energy: -58.353238 where: bonds (distance) C4'-P energy: -10.005 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -11.821 flat angles P-C4'-P energy: -7.590 tors. eta vs tors. theta energy: -14.030 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: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -171.487411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.487411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.487411 (E_RNA) where: Base-Base interactions energy: -116.280 where: short stacking energy: -41.740 Base-Backbone interact. energy: 1.426 local terms energy: -56.633675 where: bonds (distance) C4'-P energy: -12.672 bonds (distance) P-C4' energy: -11.242 flat angles C4'-P-C4' energy: -12.924 flat angles P-C4'-P energy: -6.971 tors. eta vs tors. theta energy: -12.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -175.655798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.655798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.655798 (E_RNA) where: Base-Base interactions energy: -126.109 where: short stacking energy: -46.764 Base-Backbone interact. energy: -0.609 local terms energy: -48.937288 where: bonds (distance) C4'-P energy: -10.047 bonds (distance) P-C4' energy: -8.301 flat angles C4'-P-C4' energy: -12.972 flat angles P-C4'-P energy: -0.827 tors. eta vs tors. theta energy: -16.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -169.045052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.045052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.045052 (E_RNA) where: Base-Base interactions energy: -125.528 where: short stacking energy: -51.575 Base-Backbone interact. energy: -0.019 local terms energy: -43.498361 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -9.238 flat angles C4'-P-C4' energy: -11.770 flat angles P-C4'-P energy: -6.150 tors. eta vs tors. theta energy: -9.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -80.682249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.682249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.682249 (E_RNA) where: Base-Base interactions energy: -31.777 where: short stacking energy: -24.828 Base-Backbone interact. energy: -0.007 local terms energy: -48.898485 where: bonds (distance) C4'-P energy: -10.879 bonds (distance) P-C4' energy: -12.772 flat angles C4'-P-C4' energy: -11.733 flat angles P-C4'-P energy: -9.103 tors. eta vs tors. theta energy: -4.412 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: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -67.689636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.689636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.689636 (E_RNA) where: Base-Base interactions energy: -27.042 where: short stacking energy: -21.120 Base-Backbone interact. energy: -0.706 local terms energy: -39.941716 where: bonds (distance) C4'-P energy: -10.895 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -6.938 tors. eta vs tors. theta energy: 0.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -69.192151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.192151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.192151 (E_RNA) where: Base-Base interactions energy: -28.192 where: short stacking energy: -11.454 Base-Backbone interact. energy: -0.128 local terms energy: -40.871618 where: bonds (distance) C4'-P energy: -12.315 bonds (distance) P-C4' energy: -13.892 flat angles C4'-P-C4' energy: -9.744 flat angles P-C4'-P energy: -6.229 tors. eta vs tors. theta energy: 1.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -65.580426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.580426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.580426 (E_RNA) where: Base-Base interactions energy: -29.039 where: short stacking energy: -29.039 Base-Backbone interact. energy: -0.051 local terms energy: -36.490989 where: bonds (distance) C4'-P energy: -4.826 bonds (distance) P-C4' energy: -11.842 flat angles C4'-P-C4' energy: -9.716 flat angles P-C4'-P energy: -3.552 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: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -187.930580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.930580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.930580 (E_RNA) where: Base-Base interactions energy: -123.532 where: short stacking energy: -57.362 Base-Backbone interact. energy: -0.085 local terms energy: -64.313086 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -15.705 flat angles P-C4'-P energy: -6.317 tors. eta vs tors. theta energy: -15.681 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: 6 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -182.426072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.426072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.426072 (E_RNA) where: Base-Base interactions energy: -123.775 where: short stacking energy: -51.753 Base-Backbone interact. energy: -0.001 local terms energy: -58.650519 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -8.418 flat angles C4'-P-C4' energy: -14.309 flat angles P-C4'-P energy: -7.254 tors. eta vs tors. theta energy: -15.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -185.051765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.051765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.051765 (E_RNA) where: Base-Base interactions energy: -120.442 where: short stacking energy: -55.824 Base-Backbone interact. energy: -0.634 local terms energy: -63.976297 where: bonds (distance) C4'-P energy: -15.080 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -11.614 flat angles P-C4'-P energy: -8.267 tors. eta vs tors. theta energy: -16.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -178.571285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.571285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.571285 (E_RNA) where: Base-Base interactions energy: -126.228 where: short stacking energy: -47.700 Base-Backbone interact. energy: -0.031 local terms energy: -52.312662 where: bonds (distance) C4'-P energy: -10.248 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -10.281 flat angles P-C4'-P energy: -4.947 tors. eta vs tors. theta energy: -13.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -176.007841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.007841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.007841 (E_RNA) where: Base-Base interactions energy: -120.834 where: short stacking energy: -48.561 Base-Backbone interact. energy: -0.360 local terms energy: -54.813520 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -13.117 flat angles C4'-P-C4' energy: -10.057 flat angles P-C4'-P energy: -9.106 tors. eta vs tors. theta energy: -14.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -180.619318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.619318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.619318 (E_RNA) where: Base-Base interactions energy: -119.311 where: short stacking energy: -52.286 Base-Backbone interact. energy: -0.907 local terms energy: -60.401008 where: bonds (distance) C4'-P energy: -13.387 bonds (distance) P-C4' energy: -12.112 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -9.945 tors. eta vs tors. theta energy: -11.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -92.922638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.922638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.922638 (E_RNA) where: Base-Base interactions energy: -41.745 where: short stacking energy: -26.779 Base-Backbone interact. energy: -0.049 local terms energy: -51.128171 where: bonds (distance) C4'-P energy: -11.164 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -11.637 flat angles P-C4'-P energy: -8.639 tors. eta vs tors. theta energy: -7.022 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: 2 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -67.275037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.275037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.275037 (E_RNA) where: Base-Base interactions energy: -25.654 where: short stacking energy: -24.986 Base-Backbone interact. energy: -0.070 local terms energy: -41.551266 where: bonds (distance) C4'-P energy: -11.301 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -10.901 flat angles P-C4'-P energy: -2.750 tors. eta vs tors. theta energy: -2.661 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: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -72.955716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.955716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.955716 (E_RNA) where: Base-Base interactions energy: -34.017 where: short stacking energy: -28.432 Base-Backbone interact. energy: -0.044 local terms energy: -38.895655 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -6.842 flat angles C4'-P-C4' energy: -6.477 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -6.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -66.254623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.254623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.254623 (E_RNA) where: Base-Base interactions energy: -21.560 where: short stacking energy: -21.560 Base-Backbone interact. energy: -1.219 local terms energy: -43.476247 where: bonds (distance) C4'-P energy: -12.158 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -5.838 tors. eta vs tors. theta energy: -3.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -192.723541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.723541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.723541 (E_RNA) where: Base-Base interactions energy: -132.204 where: short stacking energy: -53.508 Base-Backbone interact. energy: -0.065 local terms energy: -60.453948 where: bonds (distance) C4'-P energy: -11.835 bonds (distance) P-C4' energy: -11.362 flat angles C4'-P-C4' energy: -14.380 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -18.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -188.859662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.859662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.859662 (E_RNA) where: Base-Base interactions energy: -125.414 where: short stacking energy: -53.057 Base-Backbone interact. energy: -0.409 local terms energy: -63.036974 where: bonds (distance) C4'-P energy: -11.230 bonds (distance) P-C4' energy: -12.838 flat angles C4'-P-C4' energy: -15.285 flat angles P-C4'-P energy: -7.490 tors. eta vs tors. theta energy: -16.193 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: 3, replica: 5 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -182.348441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.348441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.348441 (E_RNA) where: Base-Base interactions energy: -124.287 where: short stacking energy: -53.558 Base-Backbone interact. energy: -0.007 local terms energy: -58.054205 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -9.059 flat angles P-C4'-P energy: -8.797 tors. eta vs tors. theta energy: -12.858 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: 4 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -181.072796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.072796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.072796 (E_RNA) where: Base-Base interactions energy: -127.947 where: short stacking energy: -51.508 Base-Backbone interact. energy: -0.011 local terms energy: -53.114866 where: bonds (distance) C4'-P energy: -10.870 bonds (distance) P-C4' energy: -11.098 flat angles C4'-P-C4' energy: -11.315 flat angles P-C4'-P energy: -6.097 tors. eta vs tors. theta energy: -13.736 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: 10 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -175.103011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.103011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.103011 (E_RNA) where: Base-Base interactions energy: -125.534 where: short stacking energy: -46.664 Base-Backbone interact. energy: -0.001 local terms energy: -49.568033 where: bonds (distance) C4'-P energy: -6.002 bonds (distance) P-C4' energy: -11.334 flat angles C4'-P-C4' energy: -11.623 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -16.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -169.632439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.632439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.632439 (E_RNA) where: Base-Base interactions energy: -116.844 where: short stacking energy: -47.792 Base-Backbone interact. energy: -0.072 local terms energy: -52.716299 where: bonds (distance) C4'-P energy: -9.116 bonds (distance) P-C4' energy: -11.423 flat angles C4'-P-C4' energy: -11.233 flat angles P-C4'-P energy: -9.648 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: 7, replica: 2 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -72.081108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.081108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.081108 (E_RNA) where: Base-Base interactions energy: -24.011 where: short stacking energy: -23.801 Base-Backbone interact. energy: -0.293 local terms energy: -47.776955 where: bonds (distance) C4'-P energy: -11.134 bonds (distance) P-C4' energy: -10.930 flat angles C4'-P-C4' energy: -13.030 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -3.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -72.904704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.904704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.904704 (E_RNA) where: Base-Base interactions energy: -25.261 where: short stacking energy: -23.079 Base-Backbone interact. energy: -0.031 local terms energy: -47.613601 where: bonds (distance) C4'-P energy: -10.415 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -8.046 flat angles P-C4'-P energy: -10.217 tors. eta vs tors. theta energy: -5.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -67.161060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.161060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.161060 (E_RNA) where: Base-Base interactions energy: -36.878 where: short stacking energy: -26.753 Base-Backbone interact. energy: -0.220 local terms energy: -30.063177 where: bonds (distance) C4'-P energy: -5.327 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.604 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: -3.503 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: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -71.519012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.519012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.519012 (E_RNA) where: Base-Base interactions energy: -32.225 where: short stacking energy: -12.867 Base-Backbone interact. energy: -1.329 local terms energy: -37.964449 where: bonds (distance) C4'-P energy: -9.491 bonds (distance) P-C4' energy: -12.800 flat angles C4'-P-C4' energy: -8.133 flat angles P-C4'-P energy: -9.183 tors. eta vs tors. theta energy: 1.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -196.928411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.928411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.928411 (E_RNA) where: Base-Base interactions energy: -136.427 where: short stacking energy: -53.647 Base-Backbone interact. energy: -0.089 local terms energy: -60.412329 where: bonds (distance) C4'-P energy: -13.666 bonds (distance) P-C4' energy: -12.612 flat angles C4'-P-C4' energy: -11.446 flat angles P-C4'-P energy: -7.415 tors. eta vs tors. theta energy: -15.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -188.166539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.166539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.166539 (E_RNA) where: Base-Base interactions energy: -128.213 where: short stacking energy: -48.572 Base-Backbone interact. energy: -0.088 local terms energy: -59.865068 where: bonds (distance) C4'-P energy: -12.173 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -12.811 flat angles P-C4'-P energy: -7.206 tors. eta vs tors. theta energy: -13.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -178.375214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.375214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.375214 (E_RNA) where: Base-Base interactions energy: -119.639 where: short stacking energy: -44.868 Base-Backbone interact. energy: -0.644 local terms energy: -58.091879 where: bonds (distance) C4'-P energy: -12.935 bonds (distance) P-C4' energy: -11.839 flat angles C4'-P-C4' energy: -12.094 flat angles P-C4'-P energy: -10.073 tors. eta vs tors. theta energy: -11.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -182.529838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.529838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.529838 (E_RNA) where: Base-Base interactions energy: -126.523 where: short stacking energy: -51.354 Base-Backbone interact. energy: -0.685 local terms energy: -55.321377 where: bonds (distance) C4'-P energy: -10.796 bonds (distance) P-C4' energy: -10.542 flat angles C4'-P-C4' energy: -11.984 flat angles P-C4'-P energy: -9.472 tors. eta vs tors. theta energy: -12.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -177.912170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.912170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.912170 (E_RNA) where: Base-Base interactions energy: -117.305 where: short stacking energy: -43.913 Base-Backbone interact. energy: -0.115 local terms energy: -60.492577 where: bonds (distance) C4'-P energy: -12.473 bonds (distance) P-C4' energy: -8.843 flat angles C4'-P-C4' energy: -15.331 flat angles P-C4'-P energy: -9.315 tors. eta vs tors. theta energy: -14.531 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: 37 Temperature: 1.150000 Total energy: -173.460066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.460066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.460066 (E_RNA) where: Base-Base interactions energy: -115.966 where: short stacking energy: -49.948 Base-Backbone interact. energy: -0.906 local terms energy: -56.587274 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -12.004 flat angles C4'-P-C4' energy: -11.780 flat angles P-C4'-P energy: -9.536 tors. eta vs tors. theta energy: -15.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -79.861435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.861435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.861435 (E_RNA) where: Base-Base interactions energy: -24.593 where: short stacking energy: -24.693 Base-Backbone interact. energy: -0.012 local terms energy: -55.256284 where: bonds (distance) C4'-P energy: -8.801 bonds (distance) P-C4' energy: -15.133 flat angles C4'-P-C4' energy: -13.728 flat angles P-C4'-P energy: -7.753 tors. eta vs tors. theta energy: -9.841 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: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -79.462528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.462528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.462528 (E_RNA) where: Base-Base interactions energy: -40.680 where: short stacking energy: -27.930 Base-Backbone interact. energy: 0.096 local terms energy: -38.879183 where: bonds (distance) C4'-P energy: -8.249 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -9.810 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: -5.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -60.742325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.742325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.742325 (E_RNA) where: Base-Base interactions energy: -21.359 where: short stacking energy: -21.359 Base-Backbone interact. energy: -0.005 local terms energy: -39.378658 where: bonds (distance) C4'-P energy: -10.800 bonds (distance) P-C4' energy: -8.152 flat angles C4'-P-C4' energy: -13.844 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -2.184 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: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -68.967569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.967569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.967569 (E_RNA) where: Base-Base interactions energy: -29.489 where: short stacking energy: -18.480 Base-Backbone interact. energy: -0.038 local terms energy: -39.440630 where: bonds (distance) C4'-P energy: -10.275 bonds (distance) P-C4' energy: -8.739 flat angles C4'-P-C4' energy: -11.693 flat angles P-C4'-P energy: -7.160 tors. eta vs tors. theta energy: -1.573 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: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -190.501253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.501253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.501253 (E_RNA) where: Base-Base interactions energy: -126.721 where: short stacking energy: -50.881 Base-Backbone interact. energy: -0.277 local terms energy: -63.503685 where: bonds (distance) C4'-P energy: -11.847 bonds (distance) P-C4' energy: -13.432 flat angles C4'-P-C4' energy: -13.532 flat angles P-C4'-P energy: -8.603 tors. eta vs tors. theta energy: -16.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -181.146701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.146701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.146701 (E_RNA) where: Base-Base interactions energy: -120.022 where: short stacking energy: -48.320 Base-Backbone interact. energy: -0.246 local terms energy: -60.878627 where: bonds (distance) C4'-P energy: -10.745 bonds (distance) P-C4' energy: -11.715 flat angles C4'-P-C4' energy: -14.673 flat angles P-C4'-P energy: -10.851 tors. eta vs tors. theta energy: -12.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -180.954826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.954826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.954826 (E_RNA) where: Base-Base interactions energy: -124.627 where: short stacking energy: -51.614 Base-Backbone interact. energy: -0.078 local terms energy: -56.250189 where: bonds (distance) C4'-P energy: -10.229 bonds (distance) P-C4' energy: -12.327 flat angles C4'-P-C4' energy: -12.476 flat angles P-C4'-P energy: -6.533 tors. eta vs tors. theta energy: -14.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -181.084310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.084310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.084310 (E_RNA) where: Base-Base interactions energy: -124.277 where: short stacking energy: -46.567 Base-Backbone interact. energy: -0.001 local terms energy: -56.807181 where: bonds (distance) C4'-P energy: -12.452 bonds (distance) P-C4' energy: -9.237 flat angles C4'-P-C4' energy: -14.309 flat angles P-C4'-P energy: -6.389 tors. eta vs tors. theta energy: -14.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -178.757157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.757157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.757157 (E_RNA) where: Base-Base interactions energy: -122.916 where: short stacking energy: -47.389 Base-Backbone interact. energy: -0.091 local terms energy: -55.750600 where: bonds (distance) C4'-P energy: -8.847 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -10.498 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -12.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -180.118527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.118527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.118527 (E_RNA) where: Base-Base interactions energy: -116.339 where: short stacking energy: -48.465 Base-Backbone interact. energy: -0.001 local terms energy: -63.778024 where: bonds (distance) C4'-P energy: -13.454 bonds (distance) P-C4' energy: -14.217 flat angles C4'-P-C4' energy: -10.539 flat angles P-C4'-P energy: -9.807 tors. eta vs tors. theta energy: -15.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -79.733911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.733911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.733911 (E_RNA) where: Base-Base interactions energy: -33.693 where: short stacking energy: -24.496 Base-Backbone interact. energy: -0.173 local terms energy: -45.867177 where: bonds (distance) C4'-P energy: -10.085 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -11.999 flat angles P-C4'-P energy: -8.549 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -87.623800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.623800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.623800 (E_RNA) where: Base-Base interactions energy: -46.687 where: short stacking energy: -23.617 Base-Backbone interact. energy: -0.344 local terms energy: -40.593220 where: bonds (distance) C4'-P energy: -11.248 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -10.186 flat angles P-C4'-P energy: -7.897 tors. eta vs tors. theta energy: 1.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -66.117508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.117508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.117508 (E_RNA) where: Base-Base interactions energy: -20.606 where: short stacking energy: -20.606 Base-Backbone interact. energy: -0.074 local terms energy: -45.437384 where: bonds (distance) C4'-P energy: -13.313 bonds (distance) P-C4' energy: -7.864 flat angles C4'-P-C4' energy: -13.895 flat angles P-C4'-P energy: -6.829 tors. eta vs tors. theta energy: -3.536 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: 38 Temperature: 1.350000 Total energy: -70.255937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.255937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.255937 (E_RNA) where: Base-Base interactions energy: -33.431 where: short stacking energy: -21.457 Base-Backbone interact. energy: -0.398 local terms energy: -36.427022 where: bonds (distance) C4'-P energy: -8.792 bonds (distance) P-C4' energy: -12.202 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: -8.223 tors. eta vs tors. theta energy: -3.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -187.987898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.987898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.987898 (E_RNA) where: Base-Base interactions energy: -127.035 where: short stacking energy: -50.886 Base-Backbone interact. energy: -0.100 local terms energy: -60.852645 where: bonds (distance) C4'-P energy: -10.655 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -12.352 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -15.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -187.790339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.790339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.790339 (E_RNA) where: Base-Base interactions energy: -123.138 where: short stacking energy: -52.947 Base-Backbone interact. energy: -0.066 local terms energy: -64.586127 where: bonds (distance) C4'-P energy: -14.332 bonds (distance) P-C4' energy: -14.343 flat angles C4'-P-C4' energy: -13.019 flat angles P-C4'-P energy: -7.125 tors. eta vs tors. theta energy: -15.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -181.149000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.149000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.149000 (E_RNA) where: Base-Base interactions energy: -117.263 where: short stacking energy: -50.724 Base-Backbone interact. energy: -0.001 local terms energy: -63.885467 where: bonds (distance) C4'-P energy: -13.498 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -12.484 flat angles P-C4'-P energy: -10.514 tors. eta vs tors. theta energy: -12.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -182.746710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.746710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.746710 (E_RNA) where: Base-Base interactions energy: -125.359 where: short stacking energy: -48.064 Base-Backbone interact. energy: -0.004 local terms energy: -57.383673 where: bonds (distance) C4'-P energy: -11.925 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -14.427 flat angles P-C4'-P energy: -5.146 tors. eta vs tors. theta energy: -13.075 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: 39 Temperature: 1.100000 Total energy: -181.533315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.533315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.533315 (E_RNA) where: Base-Base interactions energy: -125.518 where: short stacking energy: -57.182 Base-Backbone interact. energy: -0.090 local terms energy: -55.925696 where: bonds (distance) C4'-P energy: -11.392 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -14.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -166.676365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.676365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.676365 (E_RNA) where: Base-Base interactions energy: -112.163 where: short stacking energy: -41.370 Base-Backbone interact. energy: -0.059 local terms energy: -54.455110 where: bonds (distance) C4'-P energy: -10.283 bonds (distance) P-C4' energy: -12.467 flat angles C4'-P-C4' energy: -12.280 flat angles P-C4'-P energy: -7.429 tors. eta vs tors. theta energy: -11.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -108.302289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.302289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.302289 (E_RNA) where: Base-Base interactions energy: -73.474 where: short stacking energy: -30.366 Base-Backbone interact. energy: -0.029 local terms energy: -34.799186 where: bonds (distance) C4'-P energy: -11.018 bonds (distance) P-C4' energy: -1.861 flat angles C4'-P-C4' energy: -10.763 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -7.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -73.774498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.774498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.774498 (E_RNA) where: Base-Base interactions energy: -26.086 where: short stacking energy: -25.894 Base-Backbone interact. energy: -0.010 local terms energy: -47.678466 where: bonds (distance) C4'-P energy: -11.892 bonds (distance) P-C4' energy: -12.933 flat angles C4'-P-C4' energy: -10.589 flat angles P-C4'-P energy: -7.625 tors. eta vs tors. theta energy: -4.640 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: 9, replica: 2 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -115.332729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.332729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.332729 (E_RNA) where: Base-Base interactions energy: -70.215 where: short stacking energy: -35.500 Base-Backbone interact. energy: 1.140 local terms energy: -46.257403 where: bonds (distance) C4'-P energy: -11.264 bonds (distance) P-C4' energy: -10.094 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -6.310 tors. eta vs tors. theta energy: -6.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -69.498574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.498574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.498574 (E_RNA) where: Base-Base interactions energy: -29.963 where: short stacking energy: -16.733 Base-Backbone interact. energy: -0.293 local terms energy: -39.242382 where: bonds (distance) C4'-P energy: -7.537 bonds (distance) P-C4' energy: -13.674 flat angles C4'-P-C4' energy: -9.539 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -3.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -188.898460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.898460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.898460 (E_RNA) where: Base-Base interactions energy: -129.158 where: short stacking energy: -56.612 Base-Backbone interact. energy: -0.016 local terms energy: -59.724750 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -12.204 flat angles C4'-P-C4' energy: -11.128 flat angles P-C4'-P energy: -7.919 tors. eta vs tors. theta energy: -14.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -186.998317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.998317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.998317 (E_RNA) where: Base-Base interactions energy: -128.739 where: short stacking energy: -47.368 Base-Backbone interact. energy: -0.003 local terms energy: -58.255840 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -12.474 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -13.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -188.345826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.345826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.345826 (E_RNA) where: Base-Base interactions energy: -122.021 where: short stacking energy: -48.930 Base-Backbone interact. energy: -0.726 local terms energy: -65.598516 where: bonds (distance) C4'-P energy: -11.318 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -14.858 flat angles P-C4'-P energy: -9.634 tors. eta vs tors. theta energy: -16.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -178.500408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.500408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.500408 (E_RNA) where: Base-Base interactions energy: -119.299 where: short stacking energy: -48.485 Base-Backbone interact. energy: -0.006 local terms energy: -59.195778 where: bonds (distance) C4'-P energy: -11.434 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -11.239 flat angles P-C4'-P energy: -6.932 tors. eta vs tors. theta energy: -14.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -176.028834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.028834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.028834 (E_RNA) where: Base-Base interactions energy: -116.083 where: short stacking energy: -48.581 Base-Backbone interact. energy: -0.663 local terms energy: -59.282204 where: bonds (distance) C4'-P energy: -10.175 bonds (distance) P-C4' energy: -11.610 flat angles C4'-P-C4' energy: -14.943 flat angles P-C4'-P energy: -8.085 tors. eta vs tors. theta energy: -14.468 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: 4 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -178.813159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.813159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.813159 (E_RNA) where: Base-Base interactions energy: -121.612 where: short stacking energy: -46.038 Base-Backbone interact. energy: -0.075 local terms energy: -57.126144 where: bonds (distance) C4'-P energy: -13.814 bonds (distance) P-C4' energy: -12.859 flat angles C4'-P-C4' energy: -11.900 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -13.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -105.344449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.344449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.344449 (E_RNA) where: Base-Base interactions energy: -57.234 where: short stacking energy: -36.195 Base-Backbone interact. energy: -0.105 local terms energy: -48.005830 where: bonds (distance) C4'-P energy: -6.216 bonds (distance) P-C4' energy: -9.619 flat angles C4'-P-C4' energy: -14.173 flat angles P-C4'-P energy: -9.960 tors. eta vs tors. theta energy: -8.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -93.756349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.756349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.756349 (E_RNA) where: Base-Base interactions energy: -48.775 where: short stacking energy: -19.326 Base-Backbone interact. energy: -0.133 local terms energy: -44.848525 where: bonds (distance) C4'-P energy: -10.470 bonds (distance) P-C4' energy: -12.313 flat angles C4'-P-C4' energy: -13.259 flat angles P-C4'-P energy: -6.907 tors. eta vs tors. theta energy: -1.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -155.434437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.434437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.434437 (E_RNA) where: Base-Base interactions energy: -110.715 where: short stacking energy: -47.586 Base-Backbone interact. energy: -0.121 local terms energy: -44.598827 where: bonds (distance) C4'-P energy: -8.988 bonds (distance) P-C4' energy: -11.123 flat angles C4'-P-C4' energy: -8.314 flat angles P-C4'-P energy: -7.057 tors. eta vs tors. theta energy: -9.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -61.326227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.326227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.326227 (E_RNA) where: Base-Base interactions energy: -22.509 where: short stacking energy: -12.503 Base-Backbone interact. energy: -0.192 local terms energy: -38.624572 where: bonds (distance) C4'-P energy: -8.382 bonds (distance) P-C4' energy: -14.365 flat angles C4'-P-C4' energy: -10.248 flat angles P-C4'-P energy: -7.828 tors. eta vs tors. theta energy: 2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -195.898135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.898135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.898135 (E_RNA) where: Base-Base interactions energy: -134.724 where: short stacking energy: -55.634 Base-Backbone interact. energy: -0.082 local terms energy: -61.092503 where: bonds (distance) C4'-P energy: -11.069 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -15.144 flat angles P-C4'-P energy: -5.888 tors. eta vs tors. theta energy: -16.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -184.131008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.131008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.131008 (E_RNA) where: Base-Base interactions energy: -123.976 where: short stacking energy: -48.407 Base-Backbone interact. energy: -0.032 local terms energy: -60.123174 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -13.250 flat angles C4'-P-C4' energy: -12.316 flat angles P-C4'-P energy: -7.395 tors. eta vs tors. theta energy: -14.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -186.031971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.031971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.031971 (E_RNA) where: Base-Base interactions energy: -121.967 where: short stacking energy: -47.495 Base-Backbone interact. energy: -0.107 local terms energy: -63.957148 where: bonds (distance) C4'-P energy: -13.780 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -12.747 flat angles P-C4'-P energy: -7.285 tors. eta vs tors. theta energy: -15.757 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: 1 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -180.287134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.287134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.287134 (E_RNA) where: Base-Base interactions energy: -123.442 where: short stacking energy: -48.352 Base-Backbone interact. energy: 0.165 local terms energy: -57.010227 where: bonds (distance) C4'-P energy: -13.193 bonds (distance) P-C4' energy: -11.568 flat angles C4'-P-C4' energy: -9.459 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -13.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -170.825667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.825667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.825667 (E_RNA) where: Base-Base interactions energy: -113.443 where: short stacking energy: -45.768 Base-Backbone interact. energy: -0.070 local terms energy: -57.312540 where: bonds (distance) C4'-P energy: -11.099 bonds (distance) P-C4' energy: -12.585 flat angles C4'-P-C4' energy: -13.765 flat angles P-C4'-P energy: -6.855 tors. eta vs tors. theta energy: -13.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -176.217310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.217310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.217310 (E_RNA) where: Base-Base interactions energy: -117.664 where: short stacking energy: -48.074 Base-Backbone interact. energy: -0.396 local terms energy: -58.157200 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -11.253 flat angles C4'-P-C4' energy: -14.571 flat angles P-C4'-P energy: -7.595 tors. eta vs tors. theta energy: -11.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -72.931954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.931954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.931954 (E_RNA) where: Base-Base interactions energy: -30.467 where: short stacking energy: -26.064 Base-Backbone interact. energy: -0.104 local terms energy: -42.360616 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -11.314 flat angles C4'-P-C4' energy: -9.415 flat angles P-C4'-P energy: -8.510 tors. eta vs tors. theta energy: -0.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -163.335560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.335560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.335560 (E_RNA) where: Base-Base interactions energy: -114.758 where: short stacking energy: -47.209 Base-Backbone interact. energy: -0.003 local terms energy: -48.574942 where: bonds (distance) C4'-P energy: -9.123 bonds (distance) P-C4' energy: -8.275 flat angles C4'-P-C4' energy: -11.738 flat angles P-C4'-P energy: -6.307 tors. eta vs tors. theta energy: -13.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -74.120891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.120891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.120891 (E_RNA) where: Base-Base interactions energy: -27.621 where: short stacking energy: -21.486 Base-Backbone interact. energy: -0.153 local terms energy: -46.347260 where: bonds (distance) C4'-P energy: -12.262 bonds (distance) P-C4' energy: -10.070 flat angles C4'-P-C4' energy: -12.564 flat angles P-C4'-P energy: -9.753 tors. eta vs tors. theta energy: -1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -62.440347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.440347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.440347 (E_RNA) where: Base-Base interactions energy: -17.305 where: short stacking energy: -17.305 Base-Backbone interact. energy: -0.122 local terms energy: -45.013248 where: bonds (distance) C4'-P energy: -10.114 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -9.745 flat angles P-C4'-P energy: -10.696 tors. eta vs tors. theta energy: -1.293 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: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -192.524793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.524793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.524793 (E_RNA) where: Base-Base interactions energy: -136.299 where: short stacking energy: -53.331 Base-Backbone interact. energy: -0.103 local terms energy: -56.122828 where: bonds (distance) C4'-P energy: -9.079 bonds (distance) P-C4' energy: -12.598 flat angles C4'-P-C4' energy: -10.645 flat angles P-C4'-P energy: -6.519 tors. eta vs tors. theta energy: -17.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -180.113662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.113662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.113662 (E_RNA) where: Base-Base interactions energy: -119.591 where: short stacking energy: -46.885 Base-Backbone interact. energy: -0.859 local terms energy: -59.663454 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -12.650 flat angles P-C4'-P energy: -6.915 tors. eta vs tors. theta energy: -14.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -181.115180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.115180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.115180 (E_RNA) where: Base-Base interactions energy: -121.621 where: short stacking energy: -50.632 Base-Backbone interact. energy: -0.234 local terms energy: -59.260224 where: bonds (distance) C4'-P energy: -11.838 bonds (distance) P-C4' energy: -9.935 flat angles C4'-P-C4' energy: -10.552 flat angles P-C4'-P energy: -10.466 tors. eta vs tors. theta energy: -16.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -178.481409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.481409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.481409 (E_RNA) where: Base-Base interactions energy: -116.538 where: short stacking energy: -50.291 Base-Backbone interact. energy: -0.187 local terms energy: -61.756451 where: bonds (distance) C4'-P energy: -10.605 bonds (distance) P-C4' energy: -14.897 flat angles C4'-P-C4' energy: -13.357 flat angles P-C4'-P energy: -7.404 tors. eta vs tors. theta energy: -15.493 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: 42 Temperature: 1.100000 Total energy: -172.136981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.136981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.136981 (E_RNA) where: Base-Base interactions energy: -116.513 where: short stacking energy: -44.780 Base-Backbone interact. energy: -0.034 local terms energy: -55.589852 where: bonds (distance) C4'-P energy: -9.835 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -9.335 flat angles P-C4'-P energy: -9.992 tors. eta vs tors. theta energy: -11.387 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: 5 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -172.653055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.653055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.653055 (E_RNA) where: Base-Base interactions energy: -123.639 where: short stacking energy: -50.763 Base-Backbone interact. energy: -0.384 local terms energy: -48.629890 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -9.242 flat angles C4'-P-C4' energy: -9.600 flat angles P-C4'-P energy: -6.621 tors. eta vs tors. theta energy: -15.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -175.669080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.669080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.669080 (E_RNA) where: Base-Base interactions energy: -120.478 where: short stacking energy: -45.321 Base-Backbone interact. energy: 0.772 local terms energy: -55.962252 where: bonds (distance) C4'-P energy: -10.291 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -7.266 flat angles P-C4'-P energy: -11.128 tors. eta vs tors. theta energy: -14.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -66.218466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.218466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.218466 (E_RNA) where: Base-Base interactions energy: -19.892 where: short stacking energy: -19.892 Base-Backbone interact. energy: -0.041 local terms energy: -46.285904 where: bonds (distance) C4'-P energy: -8.667 bonds (distance) P-C4' energy: -11.963 flat angles C4'-P-C4' energy: -13.188 flat angles P-C4'-P energy: -8.706 tors. eta vs tors. theta energy: -3.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -73.209437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.209437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.209437 (E_RNA) where: Base-Base interactions energy: -29.612 where: short stacking energy: -23.004 Base-Backbone interact. energy: -0.069 local terms energy: -43.528397 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -12.110 flat angles C4'-P-C4' energy: -9.503 flat angles P-C4'-P energy: -9.530 tors. eta vs tors. theta energy: -3.742 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: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -83.352856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.352856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.352856 (E_RNA) where: Base-Base interactions energy: -44.922 where: short stacking energy: -12.971 Base-Backbone interact. energy: -0.029 local terms energy: -38.402053 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -13.011 flat angles C4'-P-C4' energy: -7.660 flat angles P-C4'-P energy: -1.323 tors. eta vs tors. theta energy: -2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -191.572527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.572527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.572527 (E_RNA) where: Base-Base interactions energy: -132.125 where: short stacking energy: -51.831 Base-Backbone interact. energy: -0.212 local terms energy: -59.235456 where: bonds (distance) C4'-P energy: -12.865 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -12.611 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -15.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -193.669041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.669041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.669041 (E_RNA) where: Base-Base interactions energy: -130.501 where: short stacking energy: -57.256 Base-Backbone interact. energy: -0.041 local terms energy: -63.126843 where: bonds (distance) C4'-P energy: -13.548 bonds (distance) P-C4' energy: -12.064 flat angles C4'-P-C4' energy: -11.249 flat angles P-C4'-P energy: -8.733 tors. eta vs tors. theta energy: -17.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -182.975948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.975948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.975948 (E_RNA) where: Base-Base interactions energy: -124.000 where: short stacking energy: -50.557 Base-Backbone interact. energy: -0.001 local terms energy: -58.975296 where: bonds (distance) C4'-P energy: -9.251 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -13.400 flat angles P-C4'-P energy: -9.689 tors. eta vs tors. theta energy: -16.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -184.561565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.561565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.561565 (E_RNA) where: Base-Base interactions energy: -117.538 where: short stacking energy: -42.531 Base-Backbone interact. energy: -0.040 local terms energy: -66.983455 where: bonds (distance) C4'-P energy: -14.261 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -14.484 flat angles P-C4'-P energy: -10.331 tors. eta vs tors. theta energy: -13.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -176.363138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.363138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.363138 (E_RNA) where: Base-Base interactions energy: -120.642 where: short stacking energy: -47.157 Base-Backbone interact. energy: -0.004 local terms energy: -55.717303 where: bonds (distance) C4'-P energy: -11.249 bonds (distance) P-C4' energy: -12.360 flat angles C4'-P-C4' energy: -12.580 flat angles P-C4'-P energy: -6.538 tors. eta vs tors. theta energy: -12.992 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: 43 Temperature: 1.150000 Total energy: -174.854798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.854798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.854798 (E_RNA) where: Base-Base interactions energy: -115.335 where: short stacking energy: -47.688 Base-Backbone interact. energy: -0.109 local terms energy: -59.411146 where: bonds (distance) C4'-P energy: -11.202 bonds (distance) P-C4' energy: -11.500 flat angles C4'-P-C4' energy: -14.289 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -16.499 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: 5 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -170.617152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.617152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.617152 (E_RNA) where: Base-Base interactions energy: -112.595 where: short stacking energy: -47.746 Base-Backbone interact. energy: -1.095 local terms energy: -56.926872 where: bonds (distance) C4'-P energy: -11.210 bonds (distance) P-C4' energy: -12.494 flat angles C4'-P-C4' energy: -14.093 flat angles P-C4'-P energy: -8.863 tors. eta vs tors. theta energy: -10.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -69.748868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.748868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.748868 (E_RNA) where: Base-Base interactions energy: -25.857 where: short stacking energy: -25.857 Base-Backbone interact. energy: -0.000 local terms energy: -43.891470 where: bonds (distance) C4'-P energy: -3.852 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -10.288 flat angles P-C4'-P energy: -9.057 tors. eta vs tors. theta energy: -8.504 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: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -61.395715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.395715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.395715 (E_RNA) where: Base-Base interactions energy: -17.120 where: short stacking energy: -12.771 Base-Backbone interact. energy: -0.152 local terms energy: -44.123336 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -11.429 flat angles C4'-P-C4' energy: -10.206 flat angles P-C4'-P energy: -9.009 tors. eta vs tors. theta energy: 0.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -80.451858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.451858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.451858 (E_RNA) where: Base-Base interactions energy: -34.749 where: short stacking energy: -34.749 Base-Backbone interact. energy: -0.353 local terms energy: -45.350218 where: bonds (distance) C4'-P energy: -11.640 bonds (distance) P-C4' energy: -7.991 flat angles C4'-P-C4' energy: -9.554 flat angles P-C4'-P energy: -6.411 tors. eta vs tors. theta energy: -9.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -197.786990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.786990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.786990 (E_RNA) where: Base-Base interactions energy: -137.832 where: short stacking energy: -58.506 Base-Backbone interact. energy: -0.096 local terms energy: -59.859086 where: bonds (distance) C4'-P energy: -9.316 bonds (distance) P-C4' energy: -13.101 flat angles C4'-P-C4' energy: -14.448 flat angles P-C4'-P energy: -6.025 tors. eta vs tors. theta energy: -16.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -182.601969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.601969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.601969 (E_RNA) where: Base-Base interactions energy: -122.583 where: short stacking energy: -51.741 Base-Backbone interact. energy: -0.001 local terms energy: -60.018331 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -12.757 flat angles C4'-P-C4' energy: -13.881 flat angles P-C4'-P energy: -7.553 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: 3, replica: 4 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -179.180732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.180732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.180732 (E_RNA) where: Base-Base interactions energy: -123.121 where: short stacking energy: -44.583 Base-Backbone interact. energy: -0.038 local terms energy: -56.021263 where: bonds (distance) C4'-P energy: -14.154 bonds (distance) P-C4' energy: -10.939 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -6.196 tors. eta vs tors. theta energy: -10.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -180.330364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.330364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.330364 (E_RNA) where: Base-Base interactions energy: -125.408 where: short stacking energy: -47.271 Base-Backbone interact. energy: -0.182 local terms energy: -54.740504 where: bonds (distance) C4'-P energy: -13.839 bonds (distance) P-C4' energy: -10.675 flat angles C4'-P-C4' energy: -9.044 flat angles P-C4'-P energy: -8.167 tors. eta vs tors. theta energy: -13.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -175.616319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.616319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.616319 (E_RNA) where: Base-Base interactions energy: -115.481 where: short stacking energy: -42.020 Base-Backbone interact. energy: -0.150 local terms energy: -59.985948 where: bonds (distance) C4'-P energy: -11.078 bonds (distance) P-C4' energy: -13.395 flat angles C4'-P-C4' energy: -14.247 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -15.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -171.569322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.569322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.569322 (E_RNA) where: Base-Base interactions energy: -115.518 where: short stacking energy: -48.629 Base-Backbone interact. energy: -0.334 local terms energy: -55.717494 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -9.880 flat angles C4'-P-C4' energy: -11.070 flat angles P-C4'-P energy: -8.302 tors. eta vs tors. theta energy: -14.166 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: 5 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -169.447928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.447928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.447928 (E_RNA) where: Base-Base interactions energy: -111.413 where: short stacking energy: -44.852 Base-Backbone interact. energy: -0.111 local terms energy: -57.923954 where: bonds (distance) C4'-P energy: -12.484 bonds (distance) P-C4' energy: -10.405 flat angles C4'-P-C4' energy: -14.293 flat angles P-C4'-P energy: -6.983 tors. eta vs tors. theta energy: -13.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -65.166269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.166269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.166269 (E_RNA) where: Base-Base interactions energy: -28.567 where: short stacking energy: -20.115 Base-Backbone interact. energy: -0.147 local terms energy: -36.451533 where: bonds (distance) C4'-P energy: -9.190 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -9.716 flat angles P-C4'-P energy: -8.253 tors. eta vs tors. theta energy: -1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -68.792049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.792049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.792049 (E_RNA) where: Base-Base interactions energy: -30.203 where: short stacking energy: -20.492 Base-Backbone interact. energy: -0.487 local terms energy: -38.101925 where: bonds (distance) C4'-P energy: -13.421 bonds (distance) P-C4' energy: -6.813 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -6.756 tors. eta vs tors. theta energy: -5.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -57.521372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.521372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.521372 (E_RNA) where: Base-Base interactions energy: -21.497 where: short stacking energy: -15.965 Base-Backbone interact. energy: -1.172 local terms energy: -34.852598 where: bonds (distance) C4'-P energy: -8.686 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -7.645 tors. eta vs tors. theta energy: -0.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -190.689772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.689772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.689772 (E_RNA) where: Base-Base interactions energy: -124.955 where: short stacking energy: -51.552 Base-Backbone interact. energy: -1.056 local terms energy: -64.678551 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -14.904 flat angles C4'-P-C4' energy: -10.518 flat angles P-C4'-P energy: -11.550 tors. eta vs tors. theta energy: -13.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -188.772126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.772126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.772126 (E_RNA) where: Base-Base interactions energy: -132.734 where: short stacking energy: -51.044 Base-Backbone interact. energy: 0.654 local terms energy: -56.691804 where: bonds (distance) C4'-P energy: -10.539 bonds (distance) P-C4' energy: -10.587 flat angles C4'-P-C4' energy: -10.742 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -14.707 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: 3 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -182.541658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.541658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.541658 (E_RNA) where: Base-Base interactions energy: -120.141 where: short stacking energy: -47.155 Base-Backbone interact. energy: 0.754 local terms energy: -63.155044 where: bonds (distance) C4'-P energy: -10.200 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -13.825 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -15.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -174.062754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.062754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.062754 (E_RNA) where: Base-Base interactions energy: -114.575 where: short stacking energy: -43.992 Base-Backbone interact. energy: -0.597 local terms energy: -58.890882 where: bonds (distance) C4'-P energy: -12.227 bonds (distance) P-C4' energy: -12.037 flat angles C4'-P-C4' energy: -11.621 flat angles P-C4'-P energy: -10.569 tors. eta vs tors. theta energy: -12.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -176.452200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.452200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.452200 (E_RNA) where: Base-Base interactions energy: -119.287 where: short stacking energy: -55.534 Base-Backbone interact. energy: -0.008 local terms energy: -57.157579 where: bonds (distance) C4'-P energy: -10.797 bonds (distance) P-C4' energy: -11.355 flat angles C4'-P-C4' energy: -13.607 flat angles P-C4'-P energy: -7.420 tors. eta vs tors. theta energy: -13.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -175.131606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.131606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.131606 (E_RNA) where: Base-Base interactions energy: -115.638 where: short stacking energy: -51.173 Base-Backbone interact. energy: -1.053 local terms energy: -58.440692 where: bonds (distance) C4'-P energy: -12.920 bonds (distance) P-C4' energy: -12.215 flat angles C4'-P-C4' energy: -12.988 flat angles P-C4'-P energy: -7.748 tors. eta vs tors. theta energy: -12.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -165.932149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.932149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.932149 (E_RNA) where: Base-Base interactions energy: -116.254 where: short stacking energy: -44.801 Base-Backbone interact. energy: -0.710 local terms energy: -48.968521 where: bonds (distance) C4'-P energy: -7.840 bonds (distance) P-C4' energy: -12.282 flat angles C4'-P-C4' energy: -14.289 flat angles P-C4'-P energy: -3.365 tors. eta vs tors. theta energy: -11.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -68.876546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.876546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.876546 (E_RNA) where: Base-Base interactions energy: -27.227 where: short stacking energy: -22.797 Base-Backbone interact. energy: -0.117 local terms energy: -41.532338 where: bonds (distance) C4'-P energy: -10.457 bonds (distance) P-C4' energy: -12.375 flat angles C4'-P-C4' energy: -11.618 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -2.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -69.421808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.421808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.421808 (E_RNA) where: Base-Base interactions energy: -25.378 where: short stacking energy: -17.724 Base-Backbone interact. energy: -0.320 local terms energy: -43.723962 where: bonds (distance) C4'-P energy: -12.899 bonds (distance) P-C4' energy: -10.585 flat angles C4'-P-C4' energy: -9.078 flat angles P-C4'-P energy: -8.811 tors. eta vs tors. theta energy: -2.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -63.253772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.253772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.253772 (E_RNA) where: Base-Base interactions energy: -23.956 where: short stacking energy: -23.956 Base-Backbone interact. energy: -0.120 local terms energy: -39.177956 where: bonds (distance) C4'-P energy: -12.507 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -7.686 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: 1.005 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: 1 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -190.919966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.919966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.919966 (E_RNA) where: Base-Base interactions energy: -131.210 where: short stacking energy: -44.965 Base-Backbone interact. energy: 1.710 local terms energy: -61.420617 where: bonds (distance) C4'-P energy: -13.710 bonds (distance) P-C4' energy: -11.035 flat angles C4'-P-C4' energy: -11.501 flat angles P-C4'-P energy: -12.099 tors. eta vs tors. theta energy: -13.075 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: 4 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -184.830323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.830323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.830323 (E_RNA) where: Base-Base interactions energy: -129.592 where: short stacking energy: -50.644 Base-Backbone interact. energy: -0.538 local terms energy: -54.700003 where: bonds (distance) C4'-P energy: -10.042 bonds (distance) P-C4' energy: -10.045 flat angles C4'-P-C4' energy: -10.922 flat angles P-C4'-P energy: -9.090 tors. eta vs tors. theta energy: -14.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -171.715222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.715222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.715222 (E_RNA) where: Base-Base interactions energy: -121.579 where: short stacking energy: -43.591 Base-Backbone interact. energy: -0.077 local terms energy: -50.058687 where: bonds (distance) C4'-P energy: -12.183 bonds (distance) P-C4' energy: -9.561 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -2.763 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: 4, replica: 3 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -177.464599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.464599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.464599 (E_RNA) where: Base-Base interactions energy: -120.469 where: short stacking energy: -44.438 Base-Backbone interact. energy: -0.013 local terms energy: -56.982729 where: bonds (distance) C4'-P energy: -11.648 bonds (distance) P-C4' energy: -12.972 flat angles C4'-P-C4' energy: -8.759 flat angles P-C4'-P energy: -7.837 tors. eta vs tors. theta energy: -15.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -180.706276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.706276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.706276 (E_RNA) where: Base-Base interactions energy: -125.487 where: short stacking energy: -46.249 Base-Backbone interact. energy: -0.093 local terms energy: -55.125871 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -10.549 flat angles C4'-P-C4' energy: -13.189 flat angles P-C4'-P energy: -5.700 tors. eta vs tors. theta energy: -12.425 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: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -186.795089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.795089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.795089 (E_RNA) where: Base-Base interactions energy: -130.410 where: short stacking energy: -50.092 Base-Backbone interact. energy: -0.047 local terms energy: -56.338869 where: bonds (distance) C4'-P energy: -10.352 bonds (distance) P-C4' energy: -10.167 flat angles C4'-P-C4' energy: -13.148 flat angles P-C4'-P energy: -8.255 tors. eta vs tors. theta energy: -14.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -174.911038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.911038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.911038 (E_RNA) where: Base-Base interactions energy: -114.805 where: short stacking energy: -44.074 Base-Backbone interact. energy: -0.114 local terms energy: -59.991599 where: bonds (distance) C4'-P energy: -13.230 bonds (distance) P-C4' energy: -12.681 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -6.896 tors. eta vs tors. theta energy: -14.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -83.397277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.397277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.397277 (E_RNA) where: Base-Base interactions energy: -35.614 where: short stacking energy: -20.938 Base-Backbone interact. energy: -0.022 local terms energy: -47.761317 where: bonds (distance) C4'-P energy: -9.686 bonds (distance) P-C4' energy: -10.986 flat angles C4'-P-C4' energy: -13.235 flat angles P-C4'-P energy: -6.979 tors. eta vs tors. theta energy: -6.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -71.329600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.329600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.329600 (E_RNA) where: Base-Base interactions energy: -22.334 where: short stacking energy: -22.334 Base-Backbone interact. energy: -0.031 local terms energy: -48.964072 where: bonds (distance) C4'-P energy: -13.098 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -12.339 flat angles P-C4'-P energy: -7.374 tors. eta vs tors. theta energy: -2.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -71.195633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.195633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.195633 (E_RNA) where: Base-Base interactions energy: -26.046 where: short stacking energy: -26.046 Base-Backbone interact. energy: 1.692 local terms energy: -46.841766 where: bonds (distance) C4'-P energy: -13.436 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -12.526 flat angles P-C4'-P energy: -9.620 tors. eta vs tors. theta energy: -3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -189.243907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.243907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.243907 (E_RNA) where: Base-Base interactions energy: -126.033 where: short stacking energy: -51.018 Base-Backbone interact. energy: -0.002 local terms energy: -63.208823 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -10.833 tors. eta vs tors. theta energy: -12.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -184.777374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.777374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.777374 (E_RNA) where: Base-Base interactions energy: -122.875 where: short stacking energy: -52.714 Base-Backbone interact. energy: 0.227 local terms energy: -62.129765 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -9.709 flat angles P-C4'-P energy: -7.396 tors. eta vs tors. theta energy: -16.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -186.601892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.601892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.601892 (E_RNA) where: Base-Base interactions energy: -125.529 where: short stacking energy: -49.684 Base-Backbone interact. energy: -0.100 local terms energy: -60.973262 where: bonds (distance) C4'-P energy: -13.499 bonds (distance) P-C4' energy: -13.150 flat angles C4'-P-C4' energy: -14.831 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -15.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -180.873676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.873676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.873676 (E_RNA) where: Base-Base interactions energy: -120.919 where: short stacking energy: -52.153 Base-Backbone interact. energy: -0.066 local terms energy: -59.888612 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -10.135 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -16.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -181.045721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.045721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.045721 (E_RNA) where: Base-Base interactions energy: -124.055 where: short stacking energy: -49.248 Base-Backbone interact. energy: -0.423 local terms energy: -56.567374 where: bonds (distance) C4'-P energy: -10.547 bonds (distance) P-C4' energy: -12.424 flat angles C4'-P-C4' energy: -10.260 flat angles P-C4'-P energy: -9.036 tors. eta vs tors. theta energy: -14.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -170.698692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.698692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.698692 (E_RNA) where: Base-Base interactions energy: -113.299 where: short stacking energy: -44.236 Base-Backbone interact. energy: -0.648 local terms energy: -56.752318 where: bonds (distance) C4'-P energy: -9.890 bonds (distance) P-C4' energy: -14.428 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -8.754 tors. eta vs tors. theta energy: -15.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -165.303436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.303436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.303436 (E_RNA) where: Base-Base interactions energy: -112.730 where: short stacking energy: -49.949 Base-Backbone interact. energy: -1.178 local terms energy: -51.395262 where: bonds (distance) C4'-P energy: -10.100 bonds (distance) P-C4' energy: -10.911 flat angles C4'-P-C4' energy: -9.847 flat angles P-C4'-P energy: -10.079 tors. eta vs tors. theta energy: -10.458 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: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -69.032479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.032479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.032479 (E_RNA) where: Base-Base interactions energy: -28.672 where: short stacking energy: -16.544 Base-Backbone interact. energy: -0.134 local terms energy: -40.226559 where: bonds (distance) C4'-P energy: -10.352 bonds (distance) P-C4' energy: -11.384 flat angles C4'-P-C4' energy: -9.542 flat angles P-C4'-P energy: -7.987 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -90.437198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.437198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.437198 (E_RNA) where: Base-Base interactions energy: -35.653 where: short stacking energy: -20.506 Base-Backbone interact. energy: -0.111 local terms energy: -54.673404 where: bonds (distance) C4'-P energy: -11.793 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -12.188 flat angles P-C4'-P energy: -10.507 tors. eta vs tors. theta energy: -6.006 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: 47 Temperature: 1.350000 Total energy: -64.923025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.923025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.923025 (E_RNA) where: Base-Base interactions energy: -21.010 where: short stacking energy: -20.947 Base-Backbone interact. energy: -0.148 local terms energy: -43.765316 where: bonds (distance) C4'-P energy: -9.843 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -11.114 flat angles P-C4'-P energy: -8.073 tors. eta vs tors. theta energy: -0.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -190.180221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.180221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.180221 (E_RNA) where: Base-Base interactions energy: -128.170 where: short stacking energy: -50.755 Base-Backbone interact. energy: -0.671 local terms energy: -61.339282 where: bonds (distance) C4'-P energy: -9.857 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -11.618 flat angles P-C4'-P energy: -9.619 tors. eta vs tors. theta energy: -16.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -187.482499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.482499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.482499 (E_RNA) where: Base-Base interactions energy: -132.384 where: short stacking energy: -48.662 Base-Backbone interact. energy: -0.111 local terms energy: -54.987579 where: bonds (distance) C4'-P energy: -7.877 bonds (distance) P-C4' energy: -12.579 flat angles C4'-P-C4' energy: -12.937 flat angles P-C4'-P energy: -7.215 tors. eta vs tors. theta energy: -14.379 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: 10 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -185.603229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.603229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.603229 (E_RNA) where: Base-Base interactions energy: -126.580 where: short stacking energy: -50.043 Base-Backbone interact. energy: 0.287 local terms energy: -59.310041 where: bonds (distance) C4'-P energy: -13.222 bonds (distance) P-C4' energy: -9.994 flat angles C4'-P-C4' energy: -14.185 flat angles P-C4'-P energy: -8.290 tors. eta vs tors. theta energy: -13.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -178.273919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.273919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.273919 (E_RNA) where: Base-Base interactions energy: -118.825 where: short stacking energy: -44.627 Base-Backbone interact. energy: -0.003 local terms energy: -59.446114 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -11.226 flat angles C4'-P-C4' energy: -10.739 flat angles P-C4'-P energy: -11.117 tors. eta vs tors. theta energy: -14.296 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: 48 Temperature: 1.100000 Total energy: -176.272674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.272674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.272674 (E_RNA) where: Base-Base interactions energy: -120.131 where: short stacking energy: -46.020 Base-Backbone interact. energy: -0.613 local terms energy: -55.528264 where: bonds (distance) C4'-P energy: -10.058 bonds (distance) P-C4' energy: -9.674 flat angles C4'-P-C4' energy: -12.481 flat angles P-C4'-P energy: -9.367 tors. eta vs tors. theta energy: -13.948 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: 3 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -179.711076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.711076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.711076 (E_RNA) where: Base-Base interactions energy: -121.593 where: short stacking energy: -49.176 Base-Backbone interact. energy: -0.228 local terms energy: -57.890440 where: bonds (distance) C4'-P energy: -11.437 bonds (distance) P-C4' energy: -14.189 flat angles C4'-P-C4' energy: -11.512 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: -14.128 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: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -170.524597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.524597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.524597 (E_RNA) where: Base-Base interactions energy: -118.697 where: short stacking energy: -49.600 Base-Backbone interact. energy: -0.002 local terms energy: -51.826367 where: bonds (distance) C4'-P energy: -10.009 bonds (distance) P-C4' energy: -10.324 flat angles C4'-P-C4' energy: -11.465 flat angles P-C4'-P energy: -9.934 tors. eta vs tors. theta energy: -10.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -67.791180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.791180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.791180 (E_RNA) where: Base-Base interactions energy: -26.644 where: short stacking energy: -26.644 Base-Backbone interact. energy: -0.110 local terms energy: -41.037459 where: bonds (distance) C4'-P energy: -7.289 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -8.556 flat angles P-C4'-P energy: -8.487 tors. eta vs tors. theta energy: -2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -66.123226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.123226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.123226 (E_RNA) where: Base-Base interactions energy: -18.939 where: short stacking energy: -18.939 Base-Backbone interact. energy: -0.097 local terms energy: -47.086489 where: bonds (distance) C4'-P energy: -12.087 bonds (distance) P-C4' energy: -13.466 flat angles C4'-P-C4' energy: -12.005 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -4.672 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: 10, replica: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -67.686302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.686302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.686302 (E_RNA) where: Base-Base interactions energy: -23.489 where: short stacking energy: -23.489 Base-Backbone interact. energy: -0.123 local terms energy: -44.074252 where: bonds (distance) C4'-P energy: -7.707 bonds (distance) P-C4' energy: -11.880 flat angles C4'-P-C4' energy: -8.935 flat angles P-C4'-P energy: -6.781 tors. eta vs tors. theta energy: -8.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -192.333295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.333295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.333295 (E_RNA) where: Base-Base interactions energy: -129.295 where: short stacking energy: -49.490 Base-Backbone interact. energy: -0.112 local terms energy: -62.926602 where: bonds (distance) C4'-P energy: -10.258 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: -16.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -181.184104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.184104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.184104 (E_RNA) where: Base-Base interactions energy: -119.010 where: short stacking energy: -48.040 Base-Backbone interact. energy: -1.596 local terms energy: -60.577861 where: bonds (distance) C4'-P energy: -10.647 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -9.722 flat angles P-C4'-P energy: -10.034 tors. eta vs tors. theta energy: -17.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -187.426423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.426423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.426423 (E_RNA) where: Base-Base interactions energy: -129.315 where: short stacking energy: -54.702 Base-Backbone interact. energy: -0.100 local terms energy: -58.012074 where: bonds (distance) C4'-P energy: -8.892 bonds (distance) P-C4' energy: -11.867 flat angles C4'-P-C4' energy: -14.352 flat angles P-C4'-P energy: -7.522 tors. eta vs tors. theta energy: -15.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -174.211144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.211144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.211144 (E_RNA) where: Base-Base interactions energy: -113.958 where: short stacking energy: -49.244 Base-Backbone interact. energy: -0.008 local terms energy: -60.245449 where: bonds (distance) C4'-P energy: -12.200 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -13.645 flat angles P-C4'-P energy: -10.246 tors. eta vs tors. theta energy: -12.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -177.424045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.424045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.424045 (E_RNA) where: Base-Base interactions energy: -118.063 where: short stacking energy: -49.052 Base-Backbone interact. energy: -0.172 local terms energy: -59.189252 where: bonds (distance) C4'-P energy: -10.495 bonds (distance) P-C4' energy: -12.457 flat angles C4'-P-C4' energy: -12.858 flat angles P-C4'-P energy: -10.458 tors. eta vs tors. theta energy: -12.921 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: 6, replica: 3 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -168.785988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.785988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.785988 (E_RNA) where: Base-Base interactions energy: -113.662 where: short stacking energy: -44.332 Base-Backbone interact. energy: -0.272 local terms energy: -54.851780 where: bonds (distance) C4'-P energy: -12.033 bonds (distance) P-C4' energy: -11.531 flat angles C4'-P-C4' energy: -11.070 flat angles P-C4'-P energy: -8.008 tors. eta vs tors. theta energy: -12.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -172.094161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.094161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.094161 (E_RNA) where: Base-Base interactions energy: -115.803 where: short stacking energy: -44.404 Base-Backbone interact. energy: -0.314 local terms energy: -55.976663 where: bonds (distance) C4'-P energy: -12.179 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -12.555 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -13.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -85.260538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.260538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.260538 (E_RNA) where: Base-Base interactions energy: -34.553 where: short stacking energy: -23.594 Base-Backbone interact. energy: -0.242 local terms energy: -50.465731 where: bonds (distance) C4'-P energy: -10.965 bonds (distance) P-C4' energy: -11.744 flat angles C4'-P-C4' energy: -12.901 flat angles P-C4'-P energy: -10.068 tors. eta vs tors. theta energy: -4.788 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: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -64.772497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.772497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.772497 (E_RNA) where: Base-Base interactions energy: -27.498 where: short stacking energy: -16.342 Base-Backbone interact. energy: -0.172 local terms energy: -37.102538 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -14.333 flat angles C4'-P-C4' energy: -8.566 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: 0.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -58.737253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.737253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.737253 (E_RNA) where: Base-Base interactions energy: -21.984 where: short stacking energy: -16.738 Base-Backbone interact. energy: -1.376 local terms energy: -35.377066 where: bonds (distance) C4'-P energy: -2.768 bonds (distance) P-C4' energy: -9.557 flat angles C4'-P-C4' energy: -12.399 flat angles P-C4'-P energy: -8.303 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -193.260571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.260571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.260571 (E_RNA) where: Base-Base interactions energy: -127.732 where: short stacking energy: -53.194 Base-Backbone interact. energy: -0.102 local terms energy: -65.427007 where: bonds (distance) C4'-P energy: -11.384 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -14.098 flat angles P-C4'-P energy: -8.166 tors. eta vs tors. theta energy: -16.943 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: 2 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -188.534802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.534802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.534802 (E_RNA) where: Base-Base interactions energy: -126.396 where: short stacking energy: -55.261 Base-Backbone interact. energy: -0.104 local terms energy: -62.034806 where: bonds (distance) C4'-P energy: -11.648 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -12.344 flat angles P-C4'-P energy: -9.626 tors. eta vs tors. theta energy: -16.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -183.695040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.695040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.695040 (E_RNA) where: Base-Base interactions energy: -122.227 where: short stacking energy: -46.246 Base-Backbone interact. energy: -0.868 local terms energy: -60.599989 where: bonds (distance) C4'-P energy: -11.524 bonds (distance) P-C4' energy: -14.460 flat angles C4'-P-C4' energy: -12.053 flat angles P-C4'-P energy: -7.527 tors. eta vs tors. theta energy: -15.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -179.184432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.184432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.184432 (E_RNA) where: Base-Base interactions energy: -119.100 where: short stacking energy: -52.504 Base-Backbone interact. energy: -0.001 local terms energy: -60.083452 where: bonds (distance) C4'-P energy: -10.971 bonds (distance) P-C4' energy: -15.365 flat angles C4'-P-C4' energy: -13.205 flat angles P-C4'-P energy: -5.150 tors. eta vs tors. theta energy: -15.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -180.233961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.233961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.233961 (E_RNA) where: Base-Base interactions energy: -124.651 where: short stacking energy: -43.468 Base-Backbone interact. energy: -0.042 local terms energy: -55.541129 where: bonds (distance) C4'-P energy: -14.302 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -11.120 flat angles P-C4'-P energy: -4.046 tors. eta vs tors. theta energy: -12.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -174.151547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.151547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.151547 (E_RNA) where: Base-Base interactions energy: -122.023 where: short stacking energy: -48.523 Base-Backbone interact. energy: -0.099 local terms energy: -52.029487 where: bonds (distance) C4'-P energy: -10.609 bonds (distance) P-C4' energy: -12.936 flat angles C4'-P-C4' energy: -11.793 flat angles P-C4'-P energy: -1.398 tors. eta vs tors. theta energy: -15.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -167.579847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.579847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.579847 (E_RNA) where: Base-Base interactions energy: -114.113 where: short stacking energy: -46.829 Base-Backbone interact. energy: -0.013 local terms energy: -53.453604 where: bonds (distance) C4'-P energy: -14.038 bonds (distance) P-C4' energy: -7.480 flat angles C4'-P-C4' energy: -10.146 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -12.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -81.229378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.229378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.229378 (E_RNA) where: Base-Base interactions energy: -40.404 where: short stacking energy: -24.771 Base-Backbone interact. energy: -0.157 local terms energy: -40.668648 where: bonds (distance) C4'-P energy: -12.344 bonds (distance) P-C4' energy: -5.648 flat angles C4'-P-C4' energy: -10.776 flat angles P-C4'-P energy: -9.879 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -68.717996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.717996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.717996 (E_RNA) where: Base-Base interactions energy: -29.656 where: short stacking energy: -26.737 Base-Backbone interact. energy: -0.121 local terms energy: -38.941082 where: bonds (distance) C4'-P energy: -10.688 bonds (distance) P-C4' energy: -12.698 flat angles C4'-P-C4' energy: -11.446 flat angles P-C4'-P energy: -6.878 tors. eta vs tors. theta energy: 2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -64.204467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.204467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.204467 (E_RNA) where: Base-Base interactions energy: -29.204 where: short stacking energy: -20.036 Base-Backbone interact. energy: -0.534 local terms energy: -34.467043 where: bonds (distance) C4'-P energy: -11.144 bonds (distance) P-C4' energy: -12.255 flat angles C4'-P-C4' energy: -7.639 flat angles P-C4'-P energy: -1.628 tors. eta vs tors. theta energy: -1.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -185.753430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.753430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.753430 (E_RNA) where: Base-Base interactions energy: -122.389 where: short stacking energy: -46.955 Base-Backbone interact. energy: -1.593 local terms energy: -61.771110 where: bonds (distance) C4'-P energy: -10.638 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -14.222 flat angles P-C4'-P energy: -9.334 tors. eta vs tors. theta energy: -13.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -183.602231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.602231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.602231 (E_RNA) where: Base-Base interactions energy: -124.866 where: short stacking energy: -42.516 Base-Backbone interact. energy: -0.362 local terms energy: -58.375060 where: bonds (distance) C4'-P energy: -12.998 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -11.799 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -15.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -181.537043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.537043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.537043 (E_RNA) where: Base-Base interactions energy: -125.469 where: short stacking energy: -53.048 Base-Backbone interact. energy: 0.231 local terms energy: -56.298803 where: bonds (distance) C4'-P energy: -11.035 bonds (distance) P-C4' energy: -13.452 flat angles C4'-P-C4' energy: -10.096 flat angles P-C4'-P energy: -6.911 tors. eta vs tors. theta energy: -14.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -175.304045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.304045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.304045 (E_RNA) where: Base-Base interactions energy: -116.174 where: short stacking energy: -40.811 Base-Backbone interact. energy: -0.500 local terms energy: -58.629602 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -12.529 flat angles C4'-P-C4' energy: -14.068 flat angles P-C4'-P energy: -9.429 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: 5, replica: 1 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -178.816726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.816726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.816726 (E_RNA) where: Base-Base interactions energy: -120.715 where: short stacking energy: -46.170 Base-Backbone interact. energy: -0.912 local terms energy: -57.189244 where: bonds (distance) C4'-P energy: -11.009 bonds (distance) P-C4' energy: -10.437 flat angles C4'-P-C4' energy: -11.733 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: -14.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -171.889363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.889363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.889363 (E_RNA) where: Base-Base interactions energy: -115.762 where: short stacking energy: -43.135 Base-Backbone interact. energy: -0.168 local terms energy: -55.959305 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -10.538 flat angles C4'-P-C4' energy: -13.631 flat angles P-C4'-P energy: -6.326 tors. eta vs tors. theta energy: -13.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -171.862777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.862777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.862777 (E_RNA) where: Base-Base interactions energy: -114.227 where: short stacking energy: -42.998 Base-Backbone interact. energy: -0.090 local terms energy: -57.546296 where: bonds (distance) C4'-P energy: -9.202 bonds (distance) P-C4' energy: -15.041 flat angles C4'-P-C4' energy: -11.179 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -13.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -73.523793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.523793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.523793 (E_RNA) where: Base-Base interactions energy: -21.542 where: short stacking energy: -17.250 Base-Backbone interact. energy: -0.028 local terms energy: -51.954686 where: bonds (distance) C4'-P energy: -13.123 bonds (distance) P-C4' energy: -13.748 flat angles C4'-P-C4' energy: -11.390 flat angles P-C4'-P energy: -9.317 tors. eta vs tors. theta energy: -4.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -65.580706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.580706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.580706 (E_RNA) where: Base-Base interactions energy: -24.517 where: short stacking energy: -21.450 Base-Backbone interact. energy: -0.194 local terms energy: -40.869636 where: bonds (distance) C4'-P energy: -7.281 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -12.913 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: 1.549 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: 51 Temperature: 1.350000 Total energy: -59.195330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.195330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.195330 (E_RNA) where: Base-Base interactions energy: -25.253 where: short stacking energy: -13.940 Base-Backbone interact. energy: -0.082 local terms energy: -33.860386 where: bonds (distance) C4'-P energy: -10.157 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -9.537 flat angles P-C4'-P energy: -5.481 tors. eta vs tors. theta energy: 1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -187.563533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.563533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.563533 (E_RNA) where: Base-Base interactions energy: -122.577 where: short stacking energy: -52.739 Base-Backbone interact. energy: -0.562 local terms energy: -64.425064 where: bonds (distance) C4'-P energy: -12.622 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -12.756 flat angles P-C4'-P energy: -9.401 tors. eta vs tors. theta energy: -15.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -188.470090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.470090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.470090 (E_RNA) where: Base-Base interactions energy: -128.191 where: short stacking energy: -52.902 Base-Backbone interact. energy: -0.006 local terms energy: -60.273023 where: bonds (distance) C4'-P energy: -7.215 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -12.722 flat angles P-C4'-P energy: -10.221 tors. eta vs tors. theta energy: -16.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -185.353806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.353806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.353806 (E_RNA) where: Base-Base interactions energy: -123.061 where: short stacking energy: -49.788 Base-Backbone interact. energy: -0.002 local terms energy: -62.291575 where: bonds (distance) C4'-P energy: -12.096 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -10.064 tors. eta vs tors. theta energy: -12.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -178.690308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.690308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.690308 (E_RNA) where: Base-Base interactions energy: -121.389 where: short stacking energy: -52.856 Base-Backbone interact. energy: -0.012 local terms energy: -57.289480 where: bonds (distance) C4'-P energy: -8.713 bonds (distance) P-C4' energy: -11.914 flat angles C4'-P-C4' energy: -13.522 flat angles P-C4'-P energy: -8.275 tors. eta vs tors. theta energy: -14.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -176.153810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.153810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.153810 (E_RNA) where: Base-Base interactions energy: -117.031 where: short stacking energy: -49.719 Base-Backbone interact. energy: -0.406 local terms energy: -58.717101 where: bonds (distance) C4'-P energy: -12.304 bonds (distance) P-C4' energy: -11.212 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -7.090 tors. eta vs tors. theta energy: -13.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -178.900627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.900627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.900627 (E_RNA) where: Base-Base interactions energy: -129.675 where: short stacking energy: -46.771 Base-Backbone interact. energy: -0.027 local terms energy: -49.198759 where: bonds (distance) C4'-P energy: -6.639 bonds (distance) P-C4' energy: -10.116 flat angles C4'-P-C4' energy: -12.477 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -14.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -75.584946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.584946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.584946 (E_RNA) where: Base-Base interactions energy: -31.203 where: short stacking energy: -31.203 Base-Backbone interact. energy: -0.122 local terms energy: -44.259364 where: bonds (distance) C4'-P energy: -13.222 bonds (distance) P-C4' energy: -12.825 flat angles C4'-P-C4' energy: -9.645 flat angles P-C4'-P energy: -5.857 tors. eta vs tors. theta energy: -2.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -161.192475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.192475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.192475 (E_RNA) where: Base-Base interactions energy: -110.108 where: short stacking energy: -40.568 Base-Backbone interact. energy: -0.163 local terms energy: -50.921553 where: bonds (distance) C4'-P energy: -9.152 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -5.735 tors. eta vs tors. theta energy: -8.124 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: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -73.931238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.931238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.931238 (E_RNA) where: Base-Base interactions energy: -27.221 where: short stacking energy: -11.413 Base-Backbone interact. energy: -0.176 local terms energy: -46.534581 where: bonds (distance) C4'-P energy: -12.572 bonds (distance) P-C4' energy: -13.228 flat angles C4'-P-C4' energy: -10.335 flat angles P-C4'-P energy: -9.214 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: 10, replica: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -63.508277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.508277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.508277 (E_RNA) where: Base-Base interactions energy: -19.791 where: short stacking energy: -19.791 Base-Backbone interact. energy: -0.023 local terms energy: -43.694485 where: bonds (distance) C4'-P energy: -10.253 bonds (distance) P-C4' energy: -11.563 flat angles C4'-P-C4' energy: -11.461 flat angles P-C4'-P energy: -6.211 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: 4 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -183.908253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.908253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.908253 (E_RNA) where: Base-Base interactions energy: -125.549 where: short stacking energy: -51.008 Base-Backbone interact. energy: -0.070 local terms energy: -58.289629 where: bonds (distance) C4'-P energy: -13.363 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -13.506 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -14.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -193.073593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.073593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.073593 (E_RNA) where: Base-Base interactions energy: -135.603 where: short stacking energy: -53.276 Base-Backbone interact. energy: -0.443 local terms energy: -57.027313 where: bonds (distance) C4'-P energy: -11.959 bonds (distance) P-C4' energy: -11.064 flat angles C4'-P-C4' energy: -12.034 flat angles P-C4'-P energy: -7.651 tors. eta vs tors. theta energy: -14.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -184.026872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.026872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.026872 (E_RNA) where: Base-Base interactions energy: -125.220 where: short stacking energy: -50.049 Base-Backbone interact. energy: -0.002 local terms energy: -58.805397 where: bonds (distance) C4'-P energy: -12.931 bonds (distance) P-C4' energy: -11.013 flat angles C4'-P-C4' energy: -11.355 flat angles P-C4'-P energy: -5.761 tors. eta vs tors. theta energy: -17.745 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: 5 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -182.850047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.850047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.850047 (E_RNA) where: Base-Base interactions energy: -125.820 where: short stacking energy: -51.350 Base-Backbone interact. energy: 0.187 local terms energy: -57.217397 where: bonds (distance) C4'-P energy: -9.864 bonds (distance) P-C4' energy: -11.788 flat angles C4'-P-C4' energy: -9.728 flat angles P-C4'-P energy: -11.097 tors. eta vs tors. theta energy: -14.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -177.338376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.338376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.338376 (E_RNA) where: Base-Base interactions energy: -119.788 where: short stacking energy: -49.785 Base-Backbone interact. energy: -0.063 local terms energy: -57.487290 where: bonds (distance) C4'-P energy: -11.731 bonds (distance) P-C4' energy: -10.715 flat angles C4'-P-C4' energy: -13.733 flat angles P-C4'-P energy: -5.330 tors. eta vs tors. theta energy: -15.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -176.575764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.575764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.575764 (E_RNA) where: Base-Base interactions energy: -119.873 where: short stacking energy: -48.229 Base-Backbone interact. energy: -0.001 local terms energy: -56.702493 where: bonds (distance) C4'-P energy: -10.841 bonds (distance) P-C4' energy: -9.294 flat angles C4'-P-C4' energy: -14.769 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -15.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -70.756913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.756913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.756913 (E_RNA) where: Base-Base interactions energy: -22.405 where: short stacking energy: -22.009 Base-Backbone interact. energy: -0.153 local terms energy: -48.198564 where: bonds (distance) C4'-P energy: -13.230 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -12.140 flat angles P-C4'-P energy: -6.635 tors. eta vs tors. theta energy: -3.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -145.579225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.579225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.579225 (E_RNA) where: Base-Base interactions energy: -94.751 where: short stacking energy: -40.752 Base-Backbone interact. energy: -0.195 local terms energy: -50.632762 where: bonds (distance) C4'-P energy: -10.738 bonds (distance) P-C4' energy: -10.855 flat angles C4'-P-C4' energy: -11.875 flat angles P-C4'-P energy: -7.831 tors. eta vs tors. theta energy: -9.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -70.051151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.051151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.051151 (E_RNA) where: Base-Base interactions energy: -21.112 where: short stacking energy: -20.778 Base-Backbone interact. energy: -0.028 local terms energy: -48.910994 where: bonds (distance) C4'-P energy: -13.656 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -8.711 flat angles P-C4'-P energy: -8.409 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -69.213644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.213644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.213644 (E_RNA) where: Base-Base interactions energy: -21.034 where: short stacking energy: -16.917 Base-Backbone interact. energy: -0.218 local terms energy: -47.961311 where: bonds (distance) C4'-P energy: -9.873 bonds (distance) P-C4' energy: -8.513 flat angles C4'-P-C4' energy: -12.379 flat angles P-C4'-P energy: -12.569 tors. eta vs tors. theta energy: -4.627 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: 10 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -187.991648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.991648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.991648 (E_RNA) where: Base-Base interactions energy: -126.917 where: short stacking energy: -48.014 Base-Backbone interact. energy: -0.015 local terms energy: -61.060065 where: bonds (distance) C4'-P energy: -13.201 bonds (distance) P-C4' energy: -10.490 flat angles C4'-P-C4' energy: -14.136 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: -14.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -183.011530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.011530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.011530 (E_RNA) where: Base-Base interactions energy: -120.877 where: short stacking energy: -51.035 Base-Backbone interact. energy: -0.610 local terms energy: -61.525331 where: bonds (distance) C4'-P energy: -13.620 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -11.616 flat angles P-C4'-P energy: -8.452 tors. eta vs tors. theta energy: -15.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -190.119515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.119515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.119515 (E_RNA) where: Base-Base interactions energy: -132.748 where: short stacking energy: -49.151 Base-Backbone interact. energy: -0.242 local terms energy: -57.129613 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -11.326 flat angles P-C4'-P energy: -2.516 tors. eta vs tors. theta energy: -16.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -182.705378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.705378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.705378 (E_RNA) where: Base-Base interactions energy: -122.789 where: short stacking energy: -50.523 Base-Backbone interact. energy: -0.086 local terms energy: -59.830075 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -11.426 flat angles C4'-P-C4' energy: -13.013 flat angles P-C4'-P energy: -7.943 tors. eta vs tors. theta energy: -15.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -174.319818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.319818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.319818 (E_RNA) where: Base-Base interactions energy: -118.469 where: short stacking energy: -41.247 Base-Backbone interact. energy: -0.610 local terms energy: -55.240841 where: bonds (distance) C4'-P energy: -13.239 bonds (distance) P-C4' energy: -10.427 flat angles C4'-P-C4' energy: -10.216 flat angles P-C4'-P energy: -9.122 tors. eta vs tors. theta energy: -12.238 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: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -175.139752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.139752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.139752 (E_RNA) where: Base-Base interactions energy: -109.499 where: short stacking energy: -48.833 Base-Backbone interact. energy: -0.003 local terms energy: -65.637559 where: bonds (distance) C4'-P energy: -11.934 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -14.934 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: -16.374 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: 3 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -154.140997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.140997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.140997 (E_RNA) where: Base-Base interactions energy: -106.857 where: short stacking energy: -35.121 Base-Backbone interact. energy: -0.043 local terms energy: -47.240589 where: bonds (distance) C4'-P energy: -11.608 bonds (distance) P-C4' energy: -12.704 flat angles C4'-P-C4' energy: -9.689 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -9.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -73.718411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.718411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.718411 (E_RNA) where: Base-Base interactions energy: -28.127 where: short stacking energy: -28.127 Base-Backbone interact. energy: 1.253 local terms energy: -46.843954 where: bonds (distance) C4'-P energy: -9.582 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -8.369 tors. eta vs tors. theta energy: -8.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -71.480509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.480509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.480509 (E_RNA) where: Base-Base interactions energy: -24.282 where: short stacking energy: -24.282 Base-Backbone interact. energy: -0.494 local terms energy: -46.704124 where: bonds (distance) C4'-P energy: -11.136 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -12.304 flat angles P-C4'-P energy: -6.478 tors. eta vs tors. theta energy: -3.673 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: 54 Temperature: 1.350000 Total energy: -59.871507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.871507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.871507 (E_RNA) where: Base-Base interactions energy: -23.898 where: short stacking energy: -21.432 Base-Backbone interact. energy: 1.416 local terms energy: -37.389392 where: bonds (distance) C4'-P energy: -9.050 bonds (distance) P-C4' energy: -10.610 flat angles C4'-P-C4' energy: -9.790 flat angles P-C4'-P energy: -7.274 tors. eta vs tors. theta energy: -0.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -187.773560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.773560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.773560 (E_RNA) where: Base-Base interactions energy: -130.216 where: short stacking energy: -52.391 Base-Backbone interact. energy: -0.049 local terms energy: -57.508733 where: bonds (distance) C4'-P energy: -12.078 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -10.687 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -15.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -191.663472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.663472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.663472 (E_RNA) where: Base-Base interactions energy: -136.407 where: short stacking energy: -57.339 Base-Backbone interact. energy: -0.001 local terms energy: -55.255590 where: bonds (distance) C4'-P energy: -10.106 bonds (distance) P-C4' energy: -10.343 flat angles C4'-P-C4' energy: -11.208 flat angles P-C4'-P energy: -7.754 tors. eta vs tors. theta energy: -15.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -183.241989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.241989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.241989 (E_RNA) where: Base-Base interactions energy: -121.349 where: short stacking energy: -47.275 Base-Backbone interact. energy: -0.924 local terms energy: -60.969534 where: bonds (distance) C4'-P energy: -11.578 bonds (distance) P-C4' energy: -12.996 flat angles C4'-P-C4' energy: -12.138 flat angles P-C4'-P energy: -9.617 tors. eta vs tors. theta energy: -14.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -176.782365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.782365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.782365 (E_RNA) where: Base-Base interactions energy: -116.825 where: short stacking energy: -46.404 Base-Backbone interact. energy: -0.129 local terms energy: -59.828942 where: bonds (distance) C4'-P energy: -12.961 bonds (distance) P-C4' energy: -10.627 flat angles C4'-P-C4' energy: -13.840 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -16.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -168.569897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.569897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.569897 (E_RNA) where: Base-Base interactions energy: -112.280 where: short stacking energy: -42.311 Base-Backbone interact. energy: 1.072 local terms energy: -57.361540 where: bonds (distance) C4'-P energy: -11.308 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -9.663 flat angles P-C4'-P energy: -7.836 tors. eta vs tors. theta energy: -14.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -181.387996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.387996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.387996 (E_RNA) where: Base-Base interactions energy: -122.936 where: short stacking energy: -48.311 Base-Backbone interact. energy: -0.001 local terms energy: -58.450980 where: bonds (distance) C4'-P energy: -11.698 bonds (distance) P-C4' energy: -10.513 flat angles C4'-P-C4' energy: -12.478 flat angles P-C4'-P energy: -7.599 tors. eta vs tors. theta energy: -16.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -171.859368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.859368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.859368 (E_RNA) where: Base-Base interactions energy: -115.889 where: short stacking energy: -47.738 Base-Backbone interact. energy: -0.434 local terms energy: -55.536260 where: bonds (distance) C4'-P energy: -8.552 bonds (distance) P-C4' energy: -11.518 flat angles C4'-P-C4' energy: -13.387 flat angles P-C4'-P energy: -8.193 tors. eta vs tors. theta energy: -13.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -104.467897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.467897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.467897 (E_RNA) where: Base-Base interactions energy: -62.540 where: short stacking energy: -28.511 Base-Backbone interact. energy: 0.023 local terms energy: -41.950734 where: bonds (distance) C4'-P energy: -13.488 bonds (distance) P-C4' energy: -9.401 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -8.515 tors. eta vs tors. theta energy: -3.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -59.180007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.180007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.180007 (E_RNA) where: Base-Base interactions energy: -19.327 where: short stacking energy: -16.853 Base-Backbone interact. energy: -0.102 local terms energy: -39.751238 where: bonds (distance) C4'-P energy: -12.891 bonds (distance) P-C4' energy: -4.489 flat angles C4'-P-C4' energy: -9.326 flat angles P-C4'-P energy: -9.096 tors. eta vs tors. theta energy: -3.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -63.212525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.212525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.212525 (E_RNA) where: Base-Base interactions energy: -20.406 where: short stacking energy: -18.497 Base-Backbone interact. energy: -0.168 local terms energy: -42.638981 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -11.905 flat angles C4'-P-C4' energy: -10.216 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: -1.970 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: 1, replica: 5 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -196.516589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.516589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.516589 (E_RNA) where: Base-Base interactions energy: -132.669 where: short stacking energy: -53.839 Base-Backbone interact. energy: -0.000 local terms energy: -63.847202 where: bonds (distance) C4'-P energy: -10.826 bonds (distance) P-C4' energy: -13.011 flat angles C4'-P-C4' energy: -13.566 flat angles P-C4'-P energy: -10.339 tors. eta vs tors. theta energy: -16.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -187.316977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.316977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.316977 (E_RNA) where: Base-Base interactions energy: -124.753 where: short stacking energy: -55.608 Base-Backbone interact. energy: -0.000 local terms energy: -62.563795 where: bonds (distance) C4'-P energy: -12.316 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -11.637 flat angles P-C4'-P energy: -7.164 tors. eta vs tors. theta energy: -17.029 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: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -178.740142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.740142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.740142 (E_RNA) where: Base-Base interactions energy: -122.030 where: short stacking energy: -46.647 Base-Backbone interact. energy: -0.039 local terms energy: -56.671166 where: bonds (distance) C4'-P energy: -12.439 bonds (distance) P-C4' energy: -12.419 flat angles C4'-P-C4' energy: -12.560 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -15.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -181.905381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.905381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.905381 (E_RNA) where: Base-Base interactions energy: -127.738 where: short stacking energy: -54.269 Base-Backbone interact. energy: -0.022 local terms energy: -54.145555 where: bonds (distance) C4'-P energy: -9.197 bonds (distance) P-C4' energy: -11.102 flat angles C4'-P-C4' energy: -13.189 flat angles P-C4'-P energy: -6.038 tors. eta vs tors. theta energy: -14.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -182.533404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.533404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.533404 (E_RNA) where: Base-Base interactions energy: -124.276 where: short stacking energy: -47.560 Base-Backbone interact. energy: -0.045 local terms energy: -58.212938 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -11.551 flat angles C4'-P-C4' energy: -11.211 flat angles P-C4'-P energy: -9.497 tors. eta vs tors. theta energy: -11.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -163.668101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.668101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.668101 (E_RNA) where: Base-Base interactions energy: -109.238 where: short stacking energy: -50.207 Base-Backbone interact. energy: -0.717 local terms energy: -53.713706 where: bonds (distance) C4'-P energy: -10.639 bonds (distance) P-C4' energy: -11.908 flat angles C4'-P-C4' energy: -12.963 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -14.275 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: 3 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -174.774255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.774255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.774255 (E_RNA) where: Base-Base interactions energy: -121.811 where: short stacking energy: -47.776 Base-Backbone interact. energy: -0.471 local terms energy: -52.491802 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -11.938 flat angles P-C4'-P energy: -6.533 tors. eta vs tors. theta energy: -12.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -153.337392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.337392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.337392 (E_RNA) where: Base-Base interactions energy: -97.593 where: short stacking energy: -44.769 Base-Backbone interact. energy: -0.117 local terms energy: -55.628117 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -10.960 flat angles C4'-P-C4' energy: -11.742 flat angles P-C4'-P energy: -9.382 tors. eta vs tors. theta energy: -11.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -82.706487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.706487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.706487 (E_RNA) where: Base-Base interactions energy: -34.888 where: short stacking energy: -31.067 Base-Backbone interact. energy: -0.170 local terms energy: -47.648370 where: bonds (distance) C4'-P energy: -11.317 bonds (distance) P-C4' energy: -10.205 flat angles C4'-P-C4' energy: -10.519 flat angles P-C4'-P energy: -9.718 tors. eta vs tors. theta energy: -5.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -61.216267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.216267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.216267 (E_RNA) where: Base-Base interactions energy: -20.622 where: short stacking energy: -20.453 Base-Backbone interact. energy: -0.156 local terms energy: -40.438081 where: bonds (distance) C4'-P energy: -9.986 bonds (distance) P-C4' energy: -11.227 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -8.803 tors. eta vs tors. theta energy: -4.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -193.119295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.119295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.119295 (E_RNA) where: Base-Base interactions energy: -131.768 where: short stacking energy: -51.975 Base-Backbone interact. energy: -0.141 local terms energy: -61.211174 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -10.517 flat angles P-C4'-P energy: -8.741 tors. eta vs tors. theta energy: -17.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -191.256121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.256121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.256121 (E_RNA) where: Base-Base interactions energy: -128.823 where: short stacking energy: -53.173 Base-Backbone interact. energy: -0.705 local terms energy: -61.728206 where: bonds (distance) C4'-P energy: -10.440 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -10.494 flat angles P-C4'-P energy: -10.866 tors. eta vs tors. theta energy: -14.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -188.643066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.643066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.643066 (E_RNA) where: Base-Base interactions energy: -134.567 where: short stacking energy: -50.497 Base-Backbone interact. energy: -0.044 local terms energy: -54.032296 where: bonds (distance) C4'-P energy: -10.883 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -11.901 flat angles P-C4'-P energy: -7.346 tors. eta vs tors. theta energy: -11.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -180.869786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.869786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.869786 (E_RNA) where: Base-Base interactions energy: -119.073 where: short stacking energy: -49.524 Base-Backbone interact. energy: -1.283 local terms energy: -60.514171 where: bonds (distance) C4'-P energy: -11.550 bonds (distance) P-C4' energy: -11.187 flat angles C4'-P-C4' energy: -12.414 flat angles P-C4'-P energy: -9.553 tors. eta vs tors. theta energy: -15.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -180.897139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.897139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.897139 (E_RNA) where: Base-Base interactions energy: -125.206 where: short stacking energy: -45.184 Base-Backbone interact. energy: -0.446 local terms energy: -55.244504 where: bonds (distance) C4'-P energy: -11.614 bonds (distance) P-C4' energy: -13.756 flat angles C4'-P-C4' energy: -11.400 flat angles P-C4'-P energy: -6.188 tors. eta vs tors. theta energy: -12.286 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: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -170.921103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.921103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.921103 (E_RNA) where: Base-Base interactions energy: -123.474 where: short stacking energy: -48.427 Base-Backbone interact. energy: -0.010 local terms energy: -47.437089 where: bonds (distance) C4'-P energy: -8.540 bonds (distance) P-C4' energy: -9.879 flat angles C4'-P-C4' energy: -11.593 flat angles P-C4'-P energy: -6.524 tors. eta vs tors. theta energy: -10.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -170.519449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.519449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.519449 (E_RNA) where: Base-Base interactions energy: -120.685 where: short stacking energy: -41.676 Base-Backbone interact. energy: -0.007 local terms energy: -49.827506 where: bonds (distance) C4'-P energy: -10.055 bonds (distance) P-C4' energy: -10.573 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -7.037 tors. eta vs tors. theta energy: -15.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -163.771072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.771072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.771072 (E_RNA) where: Base-Base interactions energy: -107.905 where: short stacking energy: -45.841 Base-Backbone interact. energy: -1.300 local terms energy: -54.566232 where: bonds (distance) C4'-P energy: -11.119 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -11.405 flat angles P-C4'-P energy: -8.342 tors. eta vs tors. theta energy: -10.090 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: 7 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -86.898495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.898495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.898495 (E_RNA) where: Base-Base interactions energy: -50.546 where: short stacking energy: -23.642 Base-Backbone interact. energy: -0.207 local terms energy: -36.144842 where: bonds (distance) C4'-P energy: -6.779 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -11.415 flat angles P-C4'-P energy: -0.910 tors. eta vs tors. theta energy: -3.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -60.546807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.546807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.546807 (E_RNA) where: Base-Base interactions energy: -16.891 where: short stacking energy: -15.153 Base-Backbone interact. energy: -0.111 local terms energy: -43.544708 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -10.595 flat angles C4'-P-C4' energy: -8.150 flat angles P-C4'-P energy: -11.063 tors. eta vs tors. theta energy: -0.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -186.488054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.488054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.488054 (E_RNA) where: Base-Base interactions energy: -130.545 where: short stacking energy: -53.082 Base-Backbone interact. energy: -0.024 local terms energy: -55.918494 where: bonds (distance) C4'-P energy: -12.509 bonds (distance) P-C4' energy: -13.644 flat angles C4'-P-C4' energy: -11.571 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -14.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -186.763569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.763569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.763569 (E_RNA) where: Base-Base interactions energy: -132.388 where: short stacking energy: -53.470 Base-Backbone interact. energy: -0.033 local terms energy: -54.342609 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -12.577 flat angles C4'-P-C4' energy: -11.242 flat angles P-C4'-P energy: -7.730 tors. eta vs tors. theta energy: -13.741 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: 6 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -188.205506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.205506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.205506 (E_RNA) where: Base-Base interactions energy: -125.022 where: short stacking energy: -55.027 Base-Backbone interact. energy: -0.792 local terms energy: -62.391659 where: bonds (distance) C4'-P energy: -11.098 bonds (distance) P-C4' energy: -11.994 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -10.188 tors. eta vs tors. theta energy: -15.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -181.904741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.904741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.904741 (E_RNA) where: Base-Base interactions energy: -121.366 where: short stacking energy: -50.896 Base-Backbone interact. energy: -0.007 local terms energy: -60.531775 where: bonds (distance) C4'-P energy: -10.660 bonds (distance) P-C4' energy: -10.843 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -9.421 tors. eta vs tors. theta energy: -16.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -177.632689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.632689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.632689 (E_RNA) where: Base-Base interactions energy: -117.652 where: short stacking energy: -43.280 Base-Backbone interact. energy: -0.396 local terms energy: -59.585388 where: bonds (distance) C4'-P energy: -8.320 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -12.614 flat angles P-C4'-P energy: -8.183 tors. eta vs tors. theta energy: -15.840 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: 6, replica: 4 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -172.604519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.604519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.604519 (E_RNA) where: Base-Base interactions energy: -116.482 where: short stacking energy: -48.788 Base-Backbone interact. energy: -0.000 local terms energy: -56.122071 where: bonds (distance) C4'-P energy: -11.631 bonds (distance) P-C4' energy: -8.474 flat angles C4'-P-C4' energy: -13.703 flat angles P-C4'-P energy: -8.108 tors. eta vs tors. theta energy: -14.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -162.219151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.219151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.219151 (E_RNA) where: Base-Base interactions energy: -112.396 where: short stacking energy: -44.676 Base-Backbone interact. energy: 0.366 local terms energy: -50.189110 where: bonds (distance) C4'-P energy: -9.948 bonds (distance) P-C4' energy: -12.719 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -11.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -151.143552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.143552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.143552 (E_RNA) where: Base-Base interactions energy: -99.680 where: short stacking energy: -46.193 Base-Backbone interact. energy: -0.645 local terms energy: -50.818889 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -11.158 flat angles C4'-P-C4' energy: -10.131 flat angles P-C4'-P energy: -5.816 tors. eta vs tors. theta energy: -11.605 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: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -76.278663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.278663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.278663 (E_RNA) where: Base-Base interactions energy: -29.316 where: short stacking energy: -21.803 Base-Backbone interact. energy: -0.071 local terms energy: -46.890895 where: bonds (distance) C4'-P energy: -13.176 bonds (distance) P-C4' energy: -12.743 flat angles C4'-P-C4' energy: -8.923 flat angles P-C4'-P energy: -9.041 tors. eta vs tors. theta energy: -3.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -66.112004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.112004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.112004 (E_RNA) where: Base-Base interactions energy: -21.787 where: short stacking energy: -15.265 Base-Backbone interact. energy: -0.025 local terms energy: -44.300023 where: bonds (distance) C4'-P energy: -10.452 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -9.811 flat angles P-C4'-P energy: -7.795 tors. eta vs tors. theta energy: -1.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -188.328670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.328670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.328670 (E_RNA) where: Base-Base interactions energy: -126.643 where: short stacking energy: -48.421 Base-Backbone interact. energy: -0.729 local terms energy: -60.956669 where: bonds (distance) C4'-P energy: -10.403 bonds (distance) P-C4' energy: -10.939 flat angles C4'-P-C4' energy: -12.517 flat angles P-C4'-P energy: -10.140 tors. eta vs tors. theta energy: -16.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -184.237264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.237264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.237264 (E_RNA) where: Base-Base interactions energy: -128.925 where: short stacking energy: -53.994 Base-Backbone interact. energy: 0.458 local terms energy: -55.769948 where: bonds (distance) C4'-P energy: -12.904 bonds (distance) P-C4' energy: -11.293 flat angles C4'-P-C4' energy: -12.009 flat angles P-C4'-P energy: -6.858 tors. eta vs tors. theta energy: -12.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -179.726605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.726605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.726605 (E_RNA) where: Base-Base interactions energy: -124.298 where: short stacking energy: -52.777 Base-Backbone interact. energy: -0.004 local terms energy: -55.424812 where: bonds (distance) C4'-P energy: -7.886 bonds (distance) P-C4' energy: -11.837 flat angles C4'-P-C4' energy: -13.093 flat angles P-C4'-P energy: -9.982 tors. eta vs tors. theta energy: -12.628 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: 3 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -177.131008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.131008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.131008 (E_RNA) where: Base-Base interactions energy: -128.373 where: short stacking energy: -52.159 Base-Backbone interact. energy: 0.727 local terms energy: -49.485259 where: bonds (distance) C4'-P energy: -11.686 bonds (distance) P-C4' energy: -11.566 flat angles C4'-P-C4' energy: -10.129 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -10.344 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: 10 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -174.580841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.580841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.580841 (E_RNA) where: Base-Base interactions energy: -114.722 where: short stacking energy: -46.250 Base-Backbone interact. energy: -1.493 local terms energy: -58.365495 where: bonds (distance) C4'-P energy: -10.184 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -13.195 flat angles P-C4'-P energy: -9.077 tors. eta vs tors. theta energy: -13.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -167.986834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.986834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.986834 (E_RNA) where: Base-Base interactions energy: -115.821 where: short stacking energy: -39.824 Base-Backbone interact. energy: -0.004 local terms energy: -52.161760 where: bonds (distance) C4'-P energy: -9.881 bonds (distance) P-C4' energy: -10.932 flat angles C4'-P-C4' energy: -14.048 flat angles P-C4'-P energy: -3.531 tors. eta vs tors. theta energy: -13.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -174.828648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.828648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.828648 (E_RNA) where: Base-Base interactions energy: -119.149 where: short stacking energy: -48.615 Base-Backbone interact. energy: -0.043 local terms energy: -55.636374 where: bonds (distance) C4'-P energy: -9.433 bonds (distance) P-C4' energy: -10.789 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: -13.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -164.987541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.987541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.987541 (E_RNA) where: Base-Base interactions energy: -114.505 where: short stacking energy: -38.692 Base-Backbone interact. energy: -0.015 local terms energy: -50.467748 where: bonds (distance) C4'-P energy: -9.787 bonds (distance) P-C4' energy: -11.496 flat angles C4'-P-C4' energy: -11.394 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: -13.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -63.224408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.224408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.224408 (E_RNA) where: Base-Base interactions energy: -23.110 where: short stacking energy: -21.349 Base-Backbone interact. energy: 0.793 local terms energy: -40.907934 where: bonds (distance) C4'-P energy: -7.256 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -7.228 tors. eta vs tors. theta energy: -3.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -56.320522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.320522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.320522 (E_RNA) where: Base-Base interactions energy: -13.625 where: short stacking energy: -13.625 Base-Backbone interact. energy: 0.110 local terms energy: -42.805240 where: bonds (distance) C4'-P energy: -9.690 bonds (distance) P-C4' energy: -13.551 flat angles C4'-P-C4' energy: -11.247 flat angles P-C4'-P energy: -5.454 tors. eta vs tors. theta energy: -2.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -194.942750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.942750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.942750 (E_RNA) where: Base-Base interactions energy: -133.542 where: short stacking energy: -47.141 Base-Backbone interact. energy: -0.430 local terms energy: -60.971073 where: bonds (distance) C4'-P energy: -12.841 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -9.166 flat angles P-C4'-P energy: -8.571 tors. eta vs tors. theta energy: -15.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -189.671963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.671963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.671963 (E_RNA) where: Base-Base interactions energy: -125.418 where: short stacking energy: -52.765 Base-Backbone interact. energy: -0.743 local terms energy: -63.510260 where: bonds (distance) C4'-P energy: -12.527 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -13.356 flat angles P-C4'-P energy: -6.914 tors. eta vs tors. theta energy: -16.278 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: 3 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -178.118341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.118341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.118341 (E_RNA) where: Base-Base interactions energy: -117.627 where: short stacking energy: -44.029 Base-Backbone interact. energy: -0.044 local terms energy: -60.447198 where: bonds (distance) C4'-P energy: -9.760 bonds (distance) P-C4' energy: -14.645 flat angles C4'-P-C4' energy: -13.526 flat angles P-C4'-P energy: -10.810 tors. eta vs tors. theta energy: -11.707 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: 4, replica: 1 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -182.578065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.578065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.578065 (E_RNA) where: Base-Base interactions energy: -118.640 where: short stacking energy: -52.569 Base-Backbone interact. energy: -0.904 local terms energy: -63.034155 where: bonds (distance) C4'-P energy: -12.297 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -12.593 flat angles P-C4'-P energy: -8.456 tors. eta vs tors. theta energy: -15.722 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: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -171.046234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.046234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.046234 (E_RNA) where: Base-Base interactions energy: -118.984 where: short stacking energy: -48.085 Base-Backbone interact. energy: 2.563 local terms energy: -54.625204 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -10.843 flat angles C4'-P-C4' energy: -14.707 flat angles P-C4'-P energy: -7.273 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: 6, replica: 10 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -167.709048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.709048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.709048 (E_RNA) where: Base-Base interactions energy: -110.505 where: short stacking energy: -43.359 Base-Backbone interact. energy: -0.217 local terms energy: -56.987238 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -14.240 flat angles P-C4'-P energy: -7.619 tors. eta vs tors. theta energy: -12.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -174.142508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.142508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.142508 (E_RNA) where: Base-Base interactions energy: -124.052 where: short stacking energy: -50.098 Base-Backbone interact. energy: -0.089 local terms energy: -50.001918 where: bonds (distance) C4'-P energy: -9.136 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -10.571 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -13.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -171.730569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.730569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.730569 (E_RNA) where: Base-Base interactions energy: -109.939 where: short stacking energy: -41.741 Base-Backbone interact. energy: -0.015 local terms energy: -61.776142 where: bonds (distance) C4'-P energy: -13.318 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -14.221 flat angles P-C4'-P energy: -6.140 tors. eta vs tors. theta energy: -14.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -70.088403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.088403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.088403 (E_RNA) where: Base-Base interactions energy: -26.819 where: short stacking energy: -26.819 Base-Backbone interact. energy: -0.017 local terms energy: -43.251933 where: bonds (distance) C4'-P energy: -12.999 bonds (distance) P-C4' energy: -13.022 flat angles C4'-P-C4' energy: -8.838 flat angles P-C4'-P energy: -2.237 tors. eta vs tors. theta energy: -6.157 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: 60 Temperature: 1.350000 Total energy: -67.197245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.197245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.197245 (E_RNA) where: Base-Base interactions energy: -30.595 where: short stacking energy: -30.161 Base-Backbone interact. energy: -0.033 local terms energy: -36.568999 where: bonds (distance) C4'-P energy: -10.273 bonds (distance) P-C4' energy: -7.952 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -6.760 tors. eta vs tors. theta energy: -5.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -192.795641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.795641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.795641 (E_RNA) where: Base-Base interactions energy: -129.633 where: short stacking energy: -50.725 Base-Backbone interact. energy: -0.448 local terms energy: -62.714100 where: bonds (distance) C4'-P energy: -11.497 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -7.518 tors. eta vs tors. theta energy: -17.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -188.102910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.102910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.102910 (E_RNA) where: Base-Base interactions energy: -123.706 where: short stacking energy: -50.021 Base-Backbone interact. energy: -0.073 local terms energy: -64.324408 where: bonds (distance) C4'-P energy: -12.966 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -13.750 flat angles P-C4'-P energy: -8.536 tors. eta vs tors. theta energy: -15.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -179.309846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.309846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.309846 (E_RNA) where: Base-Base interactions energy: -123.995 where: short stacking energy: -47.706 Base-Backbone interact. energy: -0.011 local terms energy: -55.303696 where: bonds (distance) C4'-P energy: -12.207 bonds (distance) P-C4' energy: -11.095 flat angles C4'-P-C4' energy: -14.984 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -12.841 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: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -177.307864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.307864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.307864 (E_RNA) where: Base-Base interactions energy: -119.080 where: short stacking energy: -48.412 Base-Backbone interact. energy: -0.001 local terms energy: -58.226955 where: bonds (distance) C4'-P energy: -13.197 bonds (distance) P-C4' energy: -9.859 flat angles C4'-P-C4' energy: -11.462 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -14.209 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: 1 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -178.634673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.634673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.634673 (E_RNA) where: Base-Base interactions energy: -121.532 where: short stacking energy: -49.874 Base-Backbone interact. energy: -0.088 local terms energy: -57.015194 where: bonds (distance) C4'-P energy: -10.539 bonds (distance) P-C4' energy: -10.153 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -6.626 tors. eta vs tors. theta energy: -16.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -172.428774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.428774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.428774 (E_RNA) where: Base-Base interactions energy: -120.433 where: short stacking energy: -44.314 Base-Backbone interact. energy: 0.844 local terms energy: -52.839806 where: bonds (distance) C4'-P energy: -12.501 bonds (distance) P-C4' energy: -5.629 flat angles C4'-P-C4' energy: -12.476 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: -16.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -174.470499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.470499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.470499 (E_RNA) where: Base-Base interactions energy: -116.755 where: short stacking energy: -50.699 Base-Backbone interact. energy: -0.722 local terms energy: -56.993708 where: bonds (distance) C4'-P energy: -10.754 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -9.871 flat angles P-C4'-P energy: -5.475 tors. eta vs tors. theta energy: -15.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -163.750229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.750229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.750229 (E_RNA) where: Base-Base interactions energy: -108.564 where: short stacking energy: -43.089 Base-Backbone interact. energy: -0.687 local terms energy: -54.498381 where: bonds (distance) C4'-P energy: -11.666 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -13.865 flat angles P-C4'-P energy: -5.277 tors. eta vs tors. theta energy: -9.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -65.881584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.881584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.881584 (E_RNA) where: Base-Base interactions energy: -19.704 where: short stacking energy: -14.598 Base-Backbone interact. energy: -0.420 local terms energy: -45.757613 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -12.942 flat angles P-C4'-P energy: -7.939 tors. eta vs tors. theta energy: 0.089 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: 61 Temperature: 1.350000 Total energy: -67.493497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.493497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.493497 (E_RNA) where: Base-Base interactions energy: -24.173 where: short stacking energy: -20.078 Base-Backbone interact. energy: 0.666 local terms energy: -43.987321 where: bonds (distance) C4'-P energy: -12.449 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -7.548 flat angles P-C4'-P energy: -8.042 tors. eta vs tors. theta energy: -0.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -188.909301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.909301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.909301 (E_RNA) where: Base-Base interactions energy: -130.701 where: short stacking energy: -59.427 Base-Backbone interact. energy: -0.417 local terms energy: -57.790980 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -11.475 flat angles C4'-P-C4' energy: -10.713 flat angles P-C4'-P energy: -5.834 tors. eta vs tors. theta energy: -16.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -185.084702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.084702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.084702 (E_RNA) where: Base-Base interactions energy: -118.532 where: short stacking energy: -45.433 Base-Backbone interact. energy: -0.000 local terms energy: -66.551891 where: bonds (distance) C4'-P energy: -13.367 bonds (distance) P-C4' energy: -14.533 flat angles C4'-P-C4' energy: -13.120 flat angles P-C4'-P energy: -7.711 tors. eta vs tors. theta energy: -17.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -184.744900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.744900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.744900 (E_RNA) where: Base-Base interactions energy: -127.790 where: short stacking energy: -45.788 Base-Backbone interact. energy: 0.038 local terms energy: -56.992866 where: bonds (distance) C4'-P energy: -8.411 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -12.043 flat angles P-C4'-P energy: -8.008 tors. eta vs tors. theta energy: -14.657 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: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -172.377228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.377228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.377228 (E_RNA) where: Base-Base interactions energy: -114.899 where: short stacking energy: -43.392 Base-Backbone interact. energy: -0.002 local terms energy: -57.475969 where: bonds (distance) C4'-P energy: -10.121 bonds (distance) P-C4' energy: -13.806 flat angles C4'-P-C4' energy: -11.659 flat angles P-C4'-P energy: -7.587 tors. eta vs tors. theta energy: -14.302 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: 4 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -176.478275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.478275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.478275 (E_RNA) where: Base-Base interactions energy: -122.319 where: short stacking energy: -54.251 Base-Backbone interact. energy: 0.579 local terms energy: -54.738451 where: bonds (distance) C4'-P energy: -10.253 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -12.944 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -12.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -167.477877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.477877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.477877 (E_RNA) where: Base-Base interactions energy: -107.099 where: short stacking energy: -44.751 Base-Backbone interact. energy: -0.057 local terms energy: -60.321750 where: bonds (distance) C4'-P energy: -10.327 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -14.037 flat angles P-C4'-P energy: -8.475 tors. eta vs tors. theta energy: -13.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -171.892739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.892739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.892739 (E_RNA) where: Base-Base interactions energy: -115.958 where: short stacking energy: -49.357 Base-Backbone interact. energy: -0.555 local terms energy: -55.379777 where: bonds (distance) C4'-P energy: -13.905 bonds (distance) P-C4' energy: -12.785 flat angles C4'-P-C4' energy: -9.307 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -13.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -158.600099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.600099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.600099 (E_RNA) where: Base-Base interactions energy: -110.841 where: short stacking energy: -43.346 Base-Backbone interact. energy: -0.577 local terms energy: -47.181852 where: bonds (distance) C4'-P energy: -11.404 bonds (distance) P-C4' energy: -8.944 flat angles C4'-P-C4' energy: -13.908 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -8.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -62.452650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.452650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.452650 (E_RNA) where: Base-Base interactions energy: -25.065 where: short stacking energy: -19.763 Base-Backbone interact. energy: -0.030 local terms energy: -37.357093 where: bonds (distance) C4'-P energy: -5.914 bonds (distance) P-C4' energy: -10.316 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -8.794 tors. eta vs tors. theta energy: -6.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -66.005073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.005073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.005073 (E_RNA) where: Base-Base interactions energy: -19.510 where: short stacking energy: -12.796 Base-Backbone interact. energy: -0.078 local terms energy: -46.417258 where: bonds (distance) C4'-P energy: -11.984 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -9.822 flat angles P-C4'-P energy: -10.370 tors. eta vs tors. theta energy: -0.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -197.441372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.441372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.441372 (E_RNA) where: Base-Base interactions energy: -139.050 where: short stacking energy: -57.559 Base-Backbone interact. energy: -0.491 local terms energy: -57.900045 where: bonds (distance) C4'-P energy: -8.916 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -12.107 flat angles P-C4'-P energy: -7.371 tors. eta vs tors. theta energy: -16.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -185.202626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.202626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.202626 (E_RNA) where: Base-Base interactions energy: -121.849 where: short stacking energy: -48.384 Base-Backbone interact. energy: -0.428 local terms energy: -62.925006 where: bonds (distance) C4'-P energy: -13.073 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -14.670 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -16.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -183.737785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.737785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.737785 (E_RNA) where: Base-Base interactions energy: -123.551 where: short stacking energy: -48.534 Base-Backbone interact. energy: -0.001 local terms energy: -60.186249 where: bonds (distance) C4'-P energy: -12.571 bonds (distance) P-C4' energy: -13.431 flat angles C4'-P-C4' energy: -11.596 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -15.746 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: 4, replica: 4 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -181.056095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.056095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.056095 (E_RNA) where: Base-Base interactions energy: -117.389 where: short stacking energy: -45.230 Base-Backbone interact. energy: -0.079 local terms energy: -63.588071 where: bonds (distance) C4'-P energy: -13.189 bonds (distance) P-C4' energy: -13.180 flat angles C4'-P-C4' energy: -12.676 flat angles P-C4'-P energy: -8.266 tors. eta vs tors. theta energy: -16.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -185.831792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.831792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.831792 (E_RNA) where: Base-Base interactions energy: -123.434 where: short stacking energy: -51.240 Base-Backbone interact. energy: -0.216 local terms energy: -62.181923 where: bonds (distance) C4'-P energy: -12.513 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -11.337 flat angles P-C4'-P energy: -8.909 tors. eta vs tors. theta energy: -16.081 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: 10 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -177.143383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.143383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.143383 (E_RNA) where: Base-Base interactions energy: -121.171 where: short stacking energy: -49.927 Base-Backbone interact. energy: -0.002 local terms energy: -55.970252 where: bonds (distance) C4'-P energy: -11.152 bonds (distance) P-C4' energy: -12.320 flat angles C4'-P-C4' energy: -11.738 flat angles P-C4'-P energy: -7.308 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: 7, replica: 1 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -169.360319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.360319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.360319 (E_RNA) where: Base-Base interactions energy: -107.496 where: short stacking energy: -51.312 Base-Backbone interact. energy: -0.001 local terms energy: -61.863546 where: bonds (distance) C4'-P energy: -13.607 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -10.441 flat angles P-C4'-P energy: -8.905 tors. eta vs tors. theta energy: -16.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -172.207557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.207557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.207557 (E_RNA) where: Base-Base interactions energy: -120.806 where: short stacking energy: -44.544 Base-Backbone interact. energy: 0.457 local terms energy: -51.858617 where: bonds (distance) C4'-P energy: -9.341 bonds (distance) P-C4' energy: -9.209 flat angles C4'-P-C4' energy: -12.963 flat angles P-C4'-P energy: -7.361 tors. eta vs tors. theta energy: -12.985 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: 7 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -65.801596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.801596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.801596 (E_RNA) where: Base-Base interactions energy: -24.704 where: short stacking energy: -21.386 Base-Backbone interact. energy: -0.072 local terms energy: -41.025052 where: bonds (distance) C4'-P energy: -11.856 bonds (distance) P-C4' energy: -14.333 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -10.249 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: 10, replica: 9 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -71.743057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.743057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.743057 (E_RNA) where: Base-Base interactions energy: -36.518 where: short stacking energy: -18.310 Base-Backbone interact. energy: -0.277 local terms energy: -34.948545 where: bonds (distance) C4'-P energy: -12.096 bonds (distance) P-C4' energy: -11.507 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -6.889 tors. eta vs tors. theta energy: 1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -188.652672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.652672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.652672 (E_RNA) where: Base-Base interactions energy: -124.321 where: short stacking energy: -51.751 Base-Backbone interact. energy: -0.825 local terms energy: -63.506449 where: bonds (distance) C4'-P energy: -12.232 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -14.008 flat angles P-C4'-P energy: -9.118 tors. eta vs tors. theta energy: -13.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -182.714475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.714475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.714475 (E_RNA) where: Base-Base interactions energy: -120.947 where: short stacking energy: -51.622 Base-Backbone interact. energy: -0.426 local terms energy: -61.341512 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -8.842 tors. eta vs tors. theta energy: -13.868 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: 4 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -182.727444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.727444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.727444 (E_RNA) where: Base-Base interactions energy: -120.349 where: short stacking energy: -50.081 Base-Backbone interact. energy: -0.291 local terms energy: -62.087318 where: bonds (distance) C4'-P energy: -11.814 bonds (distance) P-C4' energy: -14.214 flat angles C4'-P-C4' energy: -12.879 flat angles P-C4'-P energy: -9.256 tors. eta vs tors. theta energy: -13.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -181.858005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.858005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.858005 (E_RNA) where: Base-Base interactions energy: -125.890 where: short stacking energy: -51.913 Base-Backbone interact. energy: -0.118 local terms energy: -55.849940 where: bonds (distance) C4'-P energy: -8.151 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -14.038 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -14.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -179.133515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.133515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.133515 (E_RNA) where: Base-Base interactions energy: -123.167 where: short stacking energy: -53.526 Base-Backbone interact. energy: -0.075 local terms energy: -55.891138 where: bonds (distance) C4'-P energy: -11.206 bonds (distance) P-C4' energy: -10.353 flat angles C4'-P-C4' energy: -10.904 flat angles P-C4'-P energy: -8.352 tors. eta vs tors. theta energy: -15.076 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: 10 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -173.282647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.282647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.282647 (E_RNA) where: Base-Base interactions energy: -115.920 where: short stacking energy: -53.500 Base-Backbone interact. energy: -0.001 local terms energy: -57.362093 where: bonds (distance) C4'-P energy: -9.972 bonds (distance) P-C4' energy: -12.649 flat angles C4'-P-C4' energy: -11.410 flat angles P-C4'-P energy: -7.720 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: 7, replica: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -175.247972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.247972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.247972 (E_RNA) where: Base-Base interactions energy: -114.977 where: short stacking energy: -45.292 Base-Backbone interact. energy: -0.018 local terms energy: -60.252904 where: bonds (distance) C4'-P energy: -11.535 bonds (distance) P-C4' energy: -10.439 flat angles C4'-P-C4' energy: -13.716 flat angles P-C4'-P energy: -9.149 tors. eta vs tors. theta energy: -15.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -162.375871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.375871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.375871 (E_RNA) where: Base-Base interactions energy: -107.473 where: short stacking energy: -38.495 Base-Backbone interact. energy: -0.138 local terms energy: -54.764245 where: bonds (distance) C4'-P energy: -9.160 bonds (distance) P-C4' energy: -11.503 flat angles C4'-P-C4' energy: -12.201 flat angles P-C4'-P energy: -9.875 tors. eta vs tors. theta energy: -12.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -67.511897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.511897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.511897 (E_RNA) where: Base-Base interactions energy: -23.503 where: short stacking energy: -20.485 Base-Backbone interact. energy: -0.137 local terms energy: -43.872376 where: bonds (distance) C4'-P energy: -12.485 bonds (distance) P-C4' energy: -11.119 flat angles C4'-P-C4' energy: -9.062 flat angles P-C4'-P energy: -10.371 tors. eta vs tors. theta energy: -0.835 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: 64 Temperature: 1.350000 Total energy: -60.656139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.656139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.656139 (E_RNA) where: Base-Base interactions energy: -25.272 where: short stacking energy: -16.009 Base-Backbone interact. energy: -0.130 local terms energy: -35.254096 where: bonds (distance) C4'-P energy: -12.894 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -6.712 tors. eta vs tors. theta energy: 3.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -191.013820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.013820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.013820 (E_RNA) where: Base-Base interactions energy: -124.767 where: short stacking energy: -52.130 Base-Backbone interact. energy: -0.701 local terms energy: -65.545934 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -14.609 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: -17.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -185.463239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.463239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.463239 (E_RNA) where: Base-Base interactions energy: -124.735 where: short stacking energy: -47.307 Base-Backbone interact. energy: -0.129 local terms energy: -60.599398 where: bonds (distance) C4'-P energy: -12.757 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -11.372 flat angles P-C4'-P energy: -9.602 tors. eta vs tors. theta energy: -11.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -186.008076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.008076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.008076 (E_RNA) where: Base-Base interactions energy: -136.646 where: short stacking energy: -52.971 Base-Backbone interact. energy: -0.645 local terms energy: -48.717061 where: bonds (distance) C4'-P energy: -10.009 bonds (distance) P-C4' energy: -5.284 flat angles C4'-P-C4' energy: -11.643 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -12.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -180.047669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.047669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.047669 (E_RNA) where: Base-Base interactions energy: -119.461 where: short stacking energy: -47.855 Base-Backbone interact. energy: -1.924 local terms energy: -58.663163 where: bonds (distance) C4'-P energy: -12.179 bonds (distance) P-C4' energy: -10.334 flat angles C4'-P-C4' energy: -14.285 flat angles P-C4'-P energy: -6.399 tors. eta vs tors. theta energy: -15.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -176.104116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.104116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.104116 (E_RNA) where: Base-Base interactions energy: -119.171 where: short stacking energy: -46.891 Base-Backbone interact. energy: -0.002 local terms energy: -56.931222 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -9.777 flat angles C4'-P-C4' energy: -13.254 flat angles P-C4'-P energy: -7.992 tors. eta vs tors. theta energy: -14.090 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: 10 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -173.073857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.073857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.073857 (E_RNA) where: Base-Base interactions energy: -117.627 where: short stacking energy: -51.760 Base-Backbone interact. energy: -0.004 local terms energy: -55.442312 where: bonds (distance) C4'-P energy: -12.697 bonds (distance) P-C4' energy: -6.317 flat angles C4'-P-C4' energy: -13.864 flat angles P-C4'-P energy: -6.134 tors. eta vs tors. theta energy: -16.431 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: 7, replica: 8 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -174.127337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.127337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.127337 (E_RNA) where: Base-Base interactions energy: -117.901 where: short stacking energy: -44.979 Base-Backbone interact. energy: -0.020 local terms energy: -56.205920 where: bonds (distance) C4'-P energy: -10.725 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -11.646 flat angles P-C4'-P energy: -7.456 tors. eta vs tors. theta energy: -12.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -73.666089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.666089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.666089 (E_RNA) where: Base-Base interactions energy: -28.275 where: short stacking energy: -25.749 Base-Backbone interact. energy: -0.682 local terms energy: -44.708866 where: bonds (distance) C4'-P energy: -11.296 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -10.144 flat angles P-C4'-P energy: -8.257 tors. eta vs tors. theta energy: -2.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -167.408211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.408211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.408211 (E_RNA) where: Base-Base interactions energy: -116.450 where: short stacking energy: -44.923 Base-Backbone interact. energy: -0.179 local terms energy: -50.778670 where: bonds (distance) C4'-P energy: -10.344 bonds (distance) P-C4' energy: -10.841 flat angles C4'-P-C4' energy: -10.202 flat angles P-C4'-P energy: -7.279 tors. eta vs tors. theta energy: -12.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -59.443815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.443815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.443815 (E_RNA) where: Base-Base interactions energy: -13.703 where: short stacking energy: -11.084 Base-Backbone interact. energy: -0.285 local terms energy: -45.455333 where: bonds (distance) C4'-P energy: -9.368 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -14.017 flat angles P-C4'-P energy: -9.432 tors. eta vs tors. theta energy: -0.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -187.762285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.762285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.762285 (E_RNA) where: Base-Base interactions energy: -123.734 where: short stacking energy: -47.758 Base-Backbone interact. energy: -0.084 local terms energy: -63.944115 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -11.660 flat angles P-C4'-P energy: -9.154 tors. eta vs tors. theta energy: -16.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -185.065975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.065975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.065975 (E_RNA) where: Base-Base interactions energy: -125.586 where: short stacking energy: -54.821 Base-Backbone interact. energy: 0.291 local terms energy: -59.770459 where: bonds (distance) C4'-P energy: -11.500 bonds (distance) P-C4' energy: -15.355 flat angles C4'-P-C4' energy: -10.284 flat angles P-C4'-P energy: -8.753 tors. eta vs tors. theta energy: -13.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -184.984785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.984785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.984785 (E_RNA) where: Base-Base interactions energy: -120.150 where: short stacking energy: -46.423 Base-Backbone interact. energy: -1.182 local terms energy: -63.653197 where: bonds (distance) C4'-P energy: -12.741 bonds (distance) P-C4' energy: -11.806 flat angles C4'-P-C4' energy: -11.083 flat angles P-C4'-P energy: -13.056 tors. eta vs tors. theta energy: -14.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -182.521593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.521593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.521593 (E_RNA) where: Base-Base interactions energy: -130.642 where: short stacking energy: -44.345 Base-Backbone interact. energy: -0.074 local terms energy: -51.805167 where: bonds (distance) C4'-P energy: -12.365 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -11.133 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -15.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -176.505600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.505600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.505600 (E_RNA) where: Base-Base interactions energy: -119.518 where: short stacking energy: -43.140 Base-Backbone interact. energy: -0.105 local terms energy: -56.882358 where: bonds (distance) C4'-P energy: -9.845 bonds (distance) P-C4' energy: -11.447 flat angles C4'-P-C4' energy: -11.175 flat angles P-C4'-P energy: -9.549 tors. eta vs tors. theta energy: -14.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -172.148080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.148080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.148080 (E_RNA) where: Base-Base interactions energy: -126.859 where: short stacking energy: -44.178 Base-Backbone interact. energy: -0.287 local terms energy: -45.002313 where: bonds (distance) C4'-P energy: -8.593 bonds (distance) P-C4' energy: -8.101 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -1.881 tors. eta vs tors. theta energy: -14.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -168.716232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.716232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.716232 (E_RNA) where: Base-Base interactions energy: -121.058 where: short stacking energy: -46.988 Base-Backbone interact. energy: -0.028 local terms energy: -47.630644 where: bonds (distance) C4'-P energy: -11.806 bonds (distance) P-C4' energy: -10.138 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -7.389 tors. eta vs tors. theta energy: -10.420 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: 9 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -74.050171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.050171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.050171 (E_RNA) where: Base-Base interactions energy: -26.946 where: short stacking energy: -22.264 Base-Backbone interact. energy: -0.005 local terms energy: -47.098948 where: bonds (distance) C4'-P energy: -9.852 bonds (distance) P-C4' energy: -12.131 flat angles C4'-P-C4' energy: -10.380 flat angles P-C4'-P energy: -10.687 tors. eta vs tors. theta energy: -4.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -62.392172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.392172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.392172 (E_RNA) where: Base-Base interactions energy: -31.180 where: short stacking energy: -22.366 Base-Backbone interact. energy: -0.229 local terms energy: -30.983900 where: bonds (distance) C4'-P energy: -9.368 bonds (distance) P-C4' energy: -5.642 flat angles C4'-P-C4' energy: -10.129 flat angles P-C4'-P energy: -7.054 tors. eta vs tors. theta energy: 1.210 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: 10, replica: 1 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -167.449854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.449854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.449854 (E_RNA) where: Base-Base interactions energy: -114.265 where: short stacking energy: -48.909 Base-Backbone interact. energy: -0.095 local terms energy: -53.089531 where: bonds (distance) C4'-P energy: -10.858 bonds (distance) P-C4' energy: -12.753 flat angles C4'-P-C4' energy: -10.637 flat angles P-C4'-P energy: -2.785 tors. eta vs tors. theta energy: -16.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -187.502765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.502765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.502765 (E_RNA) where: Base-Base interactions energy: -127.005 where: short stacking energy: -45.568 Base-Backbone interact. energy: -0.109 local terms energy: -60.388312 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -9.139 tors. eta vs tors. theta energy: -15.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -184.215609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.215609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.215609 (E_RNA) where: Base-Base interactions energy: -122.826 where: short stacking energy: -50.533 Base-Backbone interact. energy: -0.005 local terms energy: -61.384312 where: bonds (distance) C4'-P energy: -11.675 bonds (distance) P-C4' energy: -11.616 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -9.763 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: 3, replica: 3 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -186.246605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.246605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.246605 (E_RNA) where: Base-Base interactions energy: -121.745 where: short stacking energy: -51.224 Base-Backbone interact. energy: -0.004 local terms energy: -64.497811 where: bonds (distance) C4'-P energy: -12.873 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -13.343 flat angles P-C4'-P energy: -8.177 tors. eta vs tors. theta energy: -16.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -173.153739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.153739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.153739 (E_RNA) where: Base-Base interactions energy: -113.399 where: short stacking energy: -42.365 Base-Backbone interact. energy: -0.192 local terms energy: -59.561853 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -12.478 flat angles C4'-P-C4' energy: -12.256 flat angles P-C4'-P energy: -7.058 tors. eta vs tors. theta energy: -14.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -177.317521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.317521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.317521 (E_RNA) where: Base-Base interactions energy: -117.700 where: short stacking energy: -48.143 Base-Backbone interact. energy: -0.051 local terms energy: -59.566407 where: bonds (distance) C4'-P energy: -13.690 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -8.410 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: 6, replica: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -174.595238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.595238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.595238 (E_RNA) where: Base-Base interactions energy: -118.811 where: short stacking energy: -52.167 Base-Backbone interact. energy: -0.003 local terms energy: -55.781896 where: bonds (distance) C4'-P energy: -9.770 bonds (distance) P-C4' energy: -11.343 flat angles C4'-P-C4' energy: -11.832 flat angles P-C4'-P energy: -6.676 tors. eta vs tors. theta energy: -16.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -163.982800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.982800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.982800 (E_RNA) where: Base-Base interactions energy: -111.920 where: short stacking energy: -41.417 Base-Backbone interact. energy: -0.006 local terms energy: -52.056678 where: bonds (distance) C4'-P energy: -10.516 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -4.523 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -14.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -76.921366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.921366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.921366 (E_RNA) where: Base-Base interactions energy: -30.097 where: short stacking energy: -22.436 Base-Backbone interact. energy: -0.009 local terms energy: -46.815831 where: bonds (distance) C4'-P energy: -9.988 bonds (distance) P-C4' energy: -13.033 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -10.324 tors. eta vs tors. theta energy: -0.011 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: 7 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -67.410357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.410357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.410357 (E_RNA) where: Base-Base interactions energy: -29.163 where: short stacking energy: -26.297 Base-Backbone interact. energy: -0.180 local terms energy: -38.067658 where: bonds (distance) C4'-P energy: -11.604 bonds (distance) P-C4' energy: -11.709 flat angles C4'-P-C4' energy: -8.695 flat angles P-C4'-P energy: -6.112 tors. eta vs tors. theta energy: 0.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -154.680791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.680791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.680791 (E_RNA) where: Base-Base interactions energy: -104.313 where: short stacking energy: -40.014 Base-Backbone interact. energy: -0.094 local terms energy: -50.273535 where: bonds (distance) C4'-P energy: -9.732 bonds (distance) P-C4' energy: -10.030 flat angles C4'-P-C4' energy: -11.506 flat angles P-C4'-P energy: -4.911 tors. eta vs tors. theta energy: -14.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -176.205656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.205656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.205656 (E_RNA) where: Base-Base interactions energy: -119.363 where: short stacking energy: -54.833 Base-Backbone interact. energy: -0.331 local terms energy: -56.511982 where: bonds (distance) C4'-P energy: -11.507 bonds (distance) P-C4' energy: -8.656 flat angles C4'-P-C4' energy: -13.817 flat angles P-C4'-P energy: -7.133 tors. eta vs tors. theta energy: -15.399 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: 2, replica: 5 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -183.390232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.390232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.390232 (E_RNA) where: Base-Base interactions energy: -125.324 where: short stacking energy: -54.285 Base-Backbone interact. energy: -0.002 local terms energy: -58.064608 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -11.282 flat angles C4'-P-C4' energy: -13.342 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -13.944 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: 6 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -184.951891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.951891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.951891 (E_RNA) where: Base-Base interactions energy: -125.940 where: short stacking energy: -50.292 Base-Backbone interact. energy: -0.008 local terms energy: -59.003659 where: bonds (distance) C4'-P energy: -9.301 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -12.655 flat angles P-C4'-P energy: -8.749 tors. eta vs tors. theta energy: -13.717 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: 3 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -184.123310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.123310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.123310 (E_RNA) where: Base-Base interactions energy: -124.540 where: short stacking energy: -45.718 Base-Backbone interact. energy: -0.008 local terms energy: -59.575228 where: bonds (distance) C4'-P energy: -12.493 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -11.994 flat angles P-C4'-P energy: -8.112 tors. eta vs tors. theta energy: -13.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -182.264788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.264788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.264788 (E_RNA) where: Base-Base interactions energy: -124.131 where: short stacking energy: -51.820 Base-Backbone interact. energy: 1.791 local terms energy: -59.924594 where: bonds (distance) C4'-P energy: -14.041 bonds (distance) P-C4' energy: -14.575 flat angles C4'-P-C4' energy: -8.477 flat angles P-C4'-P energy: -9.450 tors. eta vs tors. theta energy: -13.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -177.453196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.453196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.453196 (E_RNA) where: Base-Base interactions energy: -114.899 where: short stacking energy: -41.291 Base-Backbone interact. energy: -0.747 local terms energy: -61.807936 where: bonds (distance) C4'-P energy: -14.617 bonds (distance) P-C4' energy: -12.844 flat angles C4'-P-C4' energy: -13.910 flat angles P-C4'-P energy: -7.326 tors. eta vs tors. theta energy: -13.111 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: 10 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -171.497387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.497387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.497387 (E_RNA) where: Base-Base interactions energy: -107.826 where: short stacking energy: -45.599 Base-Backbone interact. energy: -0.001 local terms energy: -63.670361 where: bonds (distance) C4'-P energy: -14.331 bonds (distance) P-C4' energy: -11.257 flat angles C4'-P-C4' energy: -14.023 flat angles P-C4'-P energy: -9.496 tors. eta vs tors. theta energy: -14.564 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: 9 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -74.139155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.139155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.139155 (E_RNA) where: Base-Base interactions energy: -26.885 where: short stacking energy: -26.885 Base-Backbone interact. energy: -1.404 local terms energy: -45.850647 where: bonds (distance) C4'-P energy: -9.666 bonds (distance) P-C4' energy: -13.773 flat angles C4'-P-C4' energy: -11.706 flat angles P-C4'-P energy: -5.567 tors. eta vs tors. theta energy: -5.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -133.565963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.565963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.565963 (E_RNA) where: Base-Base interactions energy: -89.108 where: short stacking energy: -44.679 Base-Backbone interact. energy: -0.252 local terms energy: -44.206196 where: bonds (distance) C4'-P energy: -8.092 bonds (distance) P-C4' energy: -7.697 flat angles C4'-P-C4' energy: -11.864 flat angles P-C4'-P energy: -10.580 tors. eta vs tors. theta energy: -5.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -56.971933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.971933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.971933 (E_RNA) where: Base-Base interactions energy: -22.911 where: short stacking energy: -20.330 Base-Backbone interact. energy: -0.204 local terms energy: -33.856624 where: bonds (distance) C4'-P energy: -9.441 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -9.035 tors. eta vs tors. theta energy: 0.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -188.476757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.476757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.476757 (E_RNA) where: Base-Base interactions energy: -127.991 where: short stacking energy: -49.997 Base-Backbone interact. energy: 0.920 local terms energy: -61.406420 where: bonds (distance) C4'-P energy: -12.726 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -8.920 flat angles P-C4'-P energy: -9.799 tors. eta vs tors. theta energy: -15.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -185.792263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.792263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.792263 (E_RNA) where: Base-Base interactions energy: -122.586 where: short stacking energy: -53.668 Base-Backbone interact. energy: -0.001 local terms energy: -63.205745 where: bonds (distance) C4'-P energy: -11.384 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -11.572 flat angles P-C4'-P energy: -8.073 tors. eta vs tors. theta energy: -17.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -185.263324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.263324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.263324 (E_RNA) where: Base-Base interactions energy: -122.723 where: short stacking energy: -48.457 Base-Backbone interact. energy: -0.142 local terms energy: -62.398259 where: bonds (distance) C4'-P energy: -13.395 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -13.434 flat angles P-C4'-P energy: -9.625 tors. eta vs tors. theta energy: -11.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -177.643234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.643234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.643234 (E_RNA) where: Base-Base interactions energy: -122.512 where: short stacking energy: -46.958 Base-Backbone interact. energy: -0.021 local terms energy: -55.110420 where: bonds (distance) C4'-P energy: -11.495 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -11.141 flat angles P-C4'-P energy: -6.145 tors. eta vs tors. theta energy: -12.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -177.071364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.071364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.071364 (E_RNA) where: Base-Base interactions energy: -126.438 where: short stacking energy: -54.186 Base-Backbone interact. energy: -0.082 local terms energy: -50.551271 where: bonds (distance) C4'-P energy: -11.197 bonds (distance) P-C4' energy: -10.261 flat angles C4'-P-C4' energy: -10.148 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -13.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -181.492369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.492369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.492369 (E_RNA) where: Base-Base interactions energy: -124.673 where: short stacking energy: -46.970 Base-Backbone interact. energy: -0.186 local terms energy: -56.634065 where: bonds (distance) C4'-P energy: -11.326 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -13.126 flat angles P-C4'-P energy: -7.503 tors. eta vs tors. theta energy: -11.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -163.620421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.620421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.620421 (E_RNA) where: Base-Base interactions energy: -109.983 where: short stacking energy: -43.020 Base-Backbone interact. energy: 3.675 local terms energy: -57.312289 where: bonds (distance) C4'-P energy: -10.246 bonds (distance) P-C4' energy: -10.862 flat angles C4'-P-C4' energy: -12.900 flat angles P-C4'-P energy: -10.751 tors. eta vs tors. theta energy: -12.553 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: 69 Temperature: 1.250000 Total energy: -81.344863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.344863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.344863 (E_RNA) where: Base-Base interactions energy: -35.855 where: short stacking energy: -35.855 Base-Backbone interact. energy: -0.000 local terms energy: -45.489290 where: bonds (distance) C4'-P energy: -9.832 bonds (distance) P-C4' energy: -9.410 flat angles C4'-P-C4' energy: -12.859 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -8.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -65.094934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.094934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.094934 (E_RNA) where: Base-Base interactions energy: -22.028 where: short stacking energy: -22.028 Base-Backbone interact. energy: -0.168 local terms energy: -42.898934 where: bonds (distance) C4'-P energy: -11.400 bonds (distance) P-C4' energy: -14.517 flat angles C4'-P-C4' energy: -10.833 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -60.114187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.114187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.114187 (E_RNA) where: Base-Base interactions energy: -17.125 where: short stacking energy: -14.656 Base-Backbone interact. energy: -0.341 local terms energy: -42.647326 where: bonds (distance) C4'-P energy: -11.926 bonds (distance) P-C4' energy: -12.233 flat angles C4'-P-C4' energy: -9.685 flat angles P-C4'-P energy: -6.467 tors. eta vs tors. theta energy: -2.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -187.418657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.418657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.418657 (E_RNA) where: Base-Base interactions energy: -127.828 where: short stacking energy: -51.717 Base-Backbone interact. energy: -0.125 local terms energy: -59.465019 where: bonds (distance) C4'-P energy: -11.739 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -11.793 flat angles P-C4'-P energy: -8.293 tors. eta vs tors. theta energy: -14.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -184.875782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.875782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.875782 (E_RNA) where: Base-Base interactions energy: -125.767 where: short stacking energy: -45.020 Base-Backbone interact. energy: -0.015 local terms energy: -59.093633 where: bonds (distance) C4'-P energy: -13.230 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -11.920 flat angles P-C4'-P energy: -7.367 tors. eta vs tors. theta energy: -13.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -185.059641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.059641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.059641 (E_RNA) where: Base-Base interactions energy: -122.659 where: short stacking energy: -49.443 Base-Backbone interact. energy: -0.001 local terms energy: -62.398928 where: bonds (distance) C4'-P energy: -12.718 bonds (distance) P-C4' energy: -12.675 flat angles C4'-P-C4' energy: -12.045 flat angles P-C4'-P energy: -11.181 tors. eta vs tors. theta energy: -13.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -184.494588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.494588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.494588 (E_RNA) where: Base-Base interactions energy: -130.889 where: short stacking energy: -51.322 Base-Backbone interact. energy: -0.413 local terms energy: -53.192807 where: bonds (distance) C4'-P energy: -10.095 bonds (distance) P-C4' energy: -10.592 flat angles C4'-P-C4' energy: -12.014 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -15.996 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: 5, replica: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -179.949288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.949288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.949288 (E_RNA) where: Base-Base interactions energy: -124.754 where: short stacking energy: -46.903 Base-Backbone interact. energy: 0.510 local terms energy: -55.704865 where: bonds (distance) C4'-P energy: -11.995 bonds (distance) P-C4' energy: -10.238 flat angles C4'-P-C4' energy: -8.102 flat angles P-C4'-P energy: -9.966 tors. eta vs tors. theta energy: -15.404 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: 6, replica: 10 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -178.447274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.447274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.447274 (E_RNA) where: Base-Base interactions energy: -119.431 where: short stacking energy: -50.426 Base-Backbone interact. energy: -0.001 local terms energy: -59.014366 where: bonds (distance) C4'-P energy: -10.849 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -13.260 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -15.136 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: 2 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -170.189980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.189980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.189980 (E_RNA) where: Base-Base interactions energy: -119.842 where: short stacking energy: -47.716 Base-Backbone interact. energy: -0.003 local terms energy: -50.345407 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -11.989 flat angles P-C4'-P energy: -6.905 tors. eta vs tors. theta energy: -13.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -67.503293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.503293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.503293 (E_RNA) where: Base-Base interactions energy: -27.360 where: short stacking energy: -20.498 Base-Backbone interact. energy: 0.541 local terms energy: -40.683808 where: bonds (distance) C4'-P energy: -9.756 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -10.601 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -1.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -62.073857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.073857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.073857 (E_RNA) where: Base-Base interactions energy: -20.391 where: short stacking energy: -20.391 Base-Backbone interact. energy: 0.229 local terms energy: -41.911911 where: bonds (distance) C4'-P energy: -11.507 bonds (distance) P-C4' energy: -9.601 flat angles C4'-P-C4' energy: -10.981 flat angles P-C4'-P energy: -6.012 tors. eta vs tors. theta energy: -3.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -68.243771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.243771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.243771 (E_RNA) where: Base-Base interactions energy: -28.817 where: short stacking energy: -23.398 Base-Backbone interact. energy: -0.029 local terms energy: -39.397668 where: bonds (distance) C4'-P energy: -11.898 bonds (distance) P-C4' energy: -10.061 flat angles C4'-P-C4' energy: -9.438 flat angles P-C4'-P energy: -9.642 tors. eta vs tors. theta energy: 1.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -188.196273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.196273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.196273 (E_RNA) where: Base-Base interactions energy: -129.674 where: short stacking energy: -44.988 Base-Backbone interact. energy: -0.345 local terms energy: -58.176772 where: bonds (distance) C4'-P energy: -11.715 bonds (distance) P-C4' energy: -14.269 flat angles C4'-P-C4' energy: -10.795 flat angles P-C4'-P energy: -8.441 tors. eta vs tors. theta energy: -12.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -193.462050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.462050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.462050 (E_RNA) where: Base-Base interactions energy: -133.783 where: short stacking energy: -54.326 Base-Backbone interact. energy: -0.004 local terms energy: -59.675146 where: bonds (distance) C4'-P energy: -10.018 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -13.321 flat angles P-C4'-P energy: -7.680 tors. eta vs tors. theta energy: -14.501 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: 71 Temperature: 1.000000 Total energy: -186.139317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.139317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.139317 (E_RNA) where: Base-Base interactions energy: -126.469 where: short stacking energy: -54.628 Base-Backbone interact. energy: -0.352 local terms energy: -59.318816 where: bonds (distance) C4'-P energy: -13.317 bonds (distance) P-C4' energy: -12.582 flat angles C4'-P-C4' energy: -12.414 flat angles P-C4'-P energy: -5.792 tors. eta vs tors. theta energy: -15.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -185.560641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.560641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.560641 (E_RNA) where: Base-Base interactions energy: -126.704 where: short stacking energy: -49.975 Base-Backbone interact. energy: -0.092 local terms energy: -58.765544 where: bonds (distance) C4'-P energy: -13.171 bonds (distance) P-C4' energy: -12.255 flat angles C4'-P-C4' energy: -13.527 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -14.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -181.344673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.344673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.344673 (E_RNA) where: Base-Base interactions energy: -121.873 where: short stacking energy: -52.754 Base-Backbone interact. energy: -0.112 local terms energy: -59.360360 where: bonds (distance) C4'-P energy: -11.657 bonds (distance) P-C4' energy: -10.601 flat angles C4'-P-C4' energy: -13.888 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -15.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -172.532598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.532598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.532598 (E_RNA) where: Base-Base interactions energy: -111.161 where: short stacking energy: -45.732 Base-Backbone interact. energy: -0.339 local terms energy: -61.032757 where: bonds (distance) C4'-P energy: -11.777 bonds (distance) P-C4' energy: -9.790 flat angles C4'-P-C4' energy: -13.685 flat angles P-C4'-P energy: -11.838 tors. eta vs tors. theta energy: -13.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -186.558149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.558149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.558149 (E_RNA) where: Base-Base interactions energy: -124.282 where: short stacking energy: -53.935 Base-Backbone interact. energy: -0.381 local terms energy: -61.895812 where: bonds (distance) C4'-P energy: -11.782 bonds (distance) P-C4' energy: -13.165 flat angles C4'-P-C4' energy: -14.058 flat angles P-C4'-P energy: -6.478 tors. eta vs tors. theta energy: -16.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -80.717893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.717893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.717893 (E_RNA) where: Base-Base interactions energy: -30.415 where: short stacking energy: -30.408 Base-Backbone interact. energy: -0.019 local terms energy: -50.283334 where: bonds (distance) C4'-P energy: -11.290 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -11.821 flat angles P-C4'-P energy: -8.057 tors. eta vs tors. theta energy: -5.243 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: 1 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -78.213080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.213080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.213080 (E_RNA) where: Base-Base interactions energy: -41.654 where: short stacking energy: -22.111 Base-Backbone interact. energy: 0.133 local terms energy: -36.692052 where: bonds (distance) C4'-P energy: -8.021 bonds (distance) P-C4' energy: -12.742 flat angles C4'-P-C4' energy: -11.775 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -0.278 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: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -141.095330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.095330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.095330 (E_RNA) where: Base-Base interactions energy: -93.415 where: short stacking energy: -39.639 Base-Backbone interact. energy: -0.010 local terms energy: -47.670293 where: bonds (distance) C4'-P energy: -11.268 bonds (distance) P-C4' energy: -10.684 flat angles C4'-P-C4' energy: -11.123 flat angles P-C4'-P energy: -7.582 tors. eta vs tors. theta energy: -7.013 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: 5 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -190.275565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.275565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.275565 (E_RNA) where: Base-Base interactions energy: -131.255 where: short stacking energy: -55.318 Base-Backbone interact. energy: -0.488 local terms energy: -58.532919 where: bonds (distance) C4'-P energy: -12.581 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -9.464 flat angles P-C4'-P energy: -7.514 tors. eta vs tors. theta energy: -15.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -188.585382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.585382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.585382 (E_RNA) where: Base-Base interactions energy: -128.454 where: short stacking energy: -51.229 Base-Backbone interact. energy: -0.005 local terms energy: -60.126683 where: bonds (distance) C4'-P energy: -11.736 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -8.437 flat angles P-C4'-P energy: -11.284 tors. eta vs tors. theta energy: -16.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -184.624330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.624330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.624330 (E_RNA) where: Base-Base interactions energy: -122.325 where: short stacking energy: -48.688 Base-Backbone interact. energy: -0.122 local terms energy: -62.177202 where: bonds (distance) C4'-P energy: -13.905 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -12.356 flat angles P-C4'-P energy: -7.248 tors. eta vs tors. theta energy: -13.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -184.457262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.457262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.457262 (E_RNA) where: Base-Base interactions energy: -124.318 where: short stacking energy: -49.921 Base-Backbone interact. energy: -0.285 local terms energy: -59.854401 where: bonds (distance) C4'-P energy: -13.147 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -13.209 flat angles P-C4'-P energy: -5.990 tors. eta vs tors. theta energy: -12.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -173.961976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.961976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.961976 (E_RNA) where: Base-Base interactions energy: -119.930 where: short stacking energy: -44.899 Base-Backbone interact. energy: -0.645 local terms energy: -53.386784 where: bonds (distance) C4'-P energy: -7.902 bonds (distance) P-C4' energy: -12.552 flat angles C4'-P-C4' energy: -12.441 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: -15.167 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: 10 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -173.743439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.743439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.743439 (E_RNA) where: Base-Base interactions energy: -121.607 where: short stacking energy: -44.084 Base-Backbone interact. energy: -0.178 local terms energy: -51.959152 where: bonds (distance) C4'-P energy: -12.866 bonds (distance) P-C4' energy: -7.888 flat angles C4'-P-C4' energy: -11.434 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -13.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -164.951633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.951633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.951633 (E_RNA) where: Base-Base interactions energy: -122.446 where: short stacking energy: -43.550 Base-Backbone interact. energy: -0.639 local terms energy: -41.866855 where: bonds (distance) C4'-P energy: -10.912 bonds (distance) P-C4' energy: -7.284 flat angles C4'-P-C4' energy: -13.785 flat angles P-C4'-P energy: -0.329 tors. eta vs tors. theta energy: -9.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -72.594885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.594885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.594885 (E_RNA) where: Base-Base interactions energy: -28.149 where: short stacking energy: -26.831 Base-Backbone interact. energy: -0.527 local terms energy: -43.919843 where: bonds (distance) C4'-P energy: -9.005 bonds (distance) P-C4' energy: -12.434 flat angles C4'-P-C4' energy: -10.482 flat angles P-C4'-P energy: -5.984 tors. eta vs tors. theta energy: -6.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -163.772716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.772716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.772716 (E_RNA) where: Base-Base interactions energy: -110.650 where: short stacking energy: -40.356 Base-Backbone interact. energy: -0.001 local terms energy: -53.121927 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -10.204 flat angles P-C4'-P energy: -6.131 tors. eta vs tors. theta energy: -15.329 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: 1 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -66.710672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.710672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.710672 (E_RNA) where: Base-Base interactions energy: -25.947 where: short stacking energy: -17.308 Base-Backbone interact. energy: -0.023 local terms energy: -40.740879 where: bonds (distance) C4'-P energy: -12.531 bonds (distance) P-C4' energy: -13.174 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -8.352 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: 5 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -188.125379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.125379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.125379 (E_RNA) where: Base-Base interactions energy: -126.002 where: short stacking energy: -48.806 Base-Backbone interact. energy: -0.377 local terms energy: -61.746095 where: bonds (distance) C4'-P energy: -11.505 bonds (distance) P-C4' energy: -11.898 flat angles C4'-P-C4' energy: -13.719 flat angles P-C4'-P energy: -7.572 tors. eta vs tors. theta energy: -17.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -187.174087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.174087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.174087 (E_RNA) where: Base-Base interactions energy: -126.387 where: short stacking energy: -47.802 Base-Backbone interact. energy: 1.371 local terms energy: -62.157830 where: bonds (distance) C4'-P energy: -13.922 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -13.529 flat angles P-C4'-P energy: -9.116 tors. eta vs tors. theta energy: -12.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -176.702681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.702681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.702681 (E_RNA) where: Base-Base interactions energy: -117.785 where: short stacking energy: -51.266 Base-Backbone interact. energy: -0.313 local terms energy: -58.605102 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -12.301 flat angles C4'-P-C4' energy: -12.387 flat angles P-C4'-P energy: -6.629 tors. eta vs tors. theta energy: -15.937 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: 6 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -178.007167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.007167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.007167 (E_RNA) where: Base-Base interactions energy: -120.811 where: short stacking energy: -52.559 Base-Backbone interact. energy: -0.080 local terms energy: -57.116248 where: bonds (distance) C4'-P energy: -8.510 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -11.571 flat angles P-C4'-P energy: -7.664 tors. eta vs tors. theta energy: -14.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -177.803465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.803465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.803465 (E_RNA) where: Base-Base interactions energy: -125.669 where: short stacking energy: -45.136 Base-Backbone interact. energy: -0.053 local terms energy: -52.082212 where: bonds (distance) C4'-P energy: -10.991 bonds (distance) P-C4' energy: -11.273 flat angles C4'-P-C4' energy: -8.791 flat angles P-C4'-P energy: -6.773 tors. eta vs tors. theta energy: -14.254 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: 6, replica: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -173.678746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.678746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.678746 (E_RNA) where: Base-Base interactions energy: -120.309 where: short stacking energy: -45.885 Base-Backbone interact. energy: -0.006 local terms energy: -53.364049 where: bonds (distance) C4'-P energy: -9.637 bonds (distance) P-C4' energy: -10.505 flat angles C4'-P-C4' energy: -14.460 flat angles P-C4'-P energy: -6.558 tors. eta vs tors. theta energy: -12.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -159.882036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.882036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.882036 (E_RNA) where: Base-Base interactions energy: -108.263 where: short stacking energy: -37.557 Base-Backbone interact. energy: -1.217 local terms energy: -50.402295 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -12.006 flat angles C4'-P-C4' energy: -10.898 flat angles P-C4'-P energy: -6.736 tors. eta vs tors. theta energy: -9.341 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: 8, replica: 9 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -161.877197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.877197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.877197 (E_RNA) where: Base-Base interactions energy: -116.441 where: short stacking energy: -41.727 Base-Backbone interact. energy: 1.074 local terms energy: -46.509823 where: bonds (distance) C4'-P energy: -7.023 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -13.654 flat angles P-C4'-P energy: -6.748 tors. eta vs tors. theta energy: -9.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -76.954770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.954770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.954770 (E_RNA) where: Base-Base interactions energy: -38.223 where: short stacking energy: -18.552 Base-Backbone interact. energy: 0.893 local terms energy: -39.624589 where: bonds (distance) C4'-P energy: -12.783 bonds (distance) P-C4' energy: -10.454 flat angles C4'-P-C4' energy: -7.671 flat angles P-C4'-P energy: -5.604 tors. eta vs tors. theta energy: -3.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -75.687478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.687478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.687478 (E_RNA) where: Base-Base interactions energy: -29.489 where: short stacking energy: -21.635 Base-Backbone interact. energy: -0.063 local terms energy: -46.135973 where: bonds (distance) C4'-P energy: -10.680 bonds (distance) P-C4' energy: -12.702 flat angles C4'-P-C4' energy: -11.358 flat angles P-C4'-P energy: -6.616 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: 5 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -182.884360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.884360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.884360 (E_RNA) where: Base-Base interactions energy: -124.785 where: short stacking energy: -51.333 Base-Backbone interact. energy: -1.099 local terms energy: -57.000360 where: bonds (distance) C4'-P energy: -12.132 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -11.689 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -13.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -192.435478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.435478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.435478 (E_RNA) where: Base-Base interactions energy: -132.678 where: short stacking energy: -52.875 Base-Backbone interact. energy: -0.103 local terms energy: -59.653919 where: bonds (distance) C4'-P energy: -10.236 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -12.573 flat angles P-C4'-P energy: -7.484 tors. eta vs tors. theta energy: -16.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -181.870234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.870234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.870234 (E_RNA) where: Base-Base interactions energy: -122.620 where: short stacking energy: -43.945 Base-Backbone interact. energy: -0.107 local terms energy: -59.143762 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -12.849 flat angles P-C4'-P energy: -7.747 tors. eta vs tors. theta energy: -13.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -173.238491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.238491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.238491 (E_RNA) where: Base-Base interactions energy: -121.585 where: short stacking energy: -47.749 Base-Backbone interact. energy: -0.001 local terms energy: -51.652656 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -8.177 flat angles C4'-P-C4' energy: -14.663 flat angles P-C4'-P energy: -8.981 tors. eta vs tors. theta energy: -13.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -176.464421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.464421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.464421 (E_RNA) where: Base-Base interactions energy: -113.270 where: short stacking energy: -50.139 Base-Backbone interact. energy: -0.436 local terms energy: -62.758074 where: bonds (distance) C4'-P energy: -11.358 bonds (distance) P-C4' energy: -15.361 flat angles C4'-P-C4' energy: -14.958 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: -15.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -166.291443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.291443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.291443 (E_RNA) where: Base-Base interactions energy: -108.285 where: short stacking energy: -41.656 Base-Backbone interact. energy: -0.725 local terms energy: -57.281750 where: bonds (distance) C4'-P energy: -13.074 bonds (distance) P-C4' energy: -9.019 flat angles C4'-P-C4' energy: -13.877 flat angles P-C4'-P energy: -9.966 tors. eta vs tors. theta energy: -11.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -158.621416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.621416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.621416 (E_RNA) where: Base-Base interactions energy: -110.225 where: short stacking energy: -38.061 Base-Backbone interact. energy: -0.173 local terms energy: -48.223865 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -13.781 flat angles C4'-P-C4' energy: -8.692 flat angles P-C4'-P energy: -8.768 tors. eta vs tors. theta energy: -4.216 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: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -165.127986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.127986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.127986 (E_RNA) where: Base-Base interactions energy: -110.994 where: short stacking energy: -50.098 Base-Backbone interact. energy: 1.755 local terms energy: -55.888545 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -11.937 flat angles C4'-P-C4' energy: -7.432 flat angles P-C4'-P energy: -8.808 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: 9, replica: 7 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -64.964136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.964136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.964136 (E_RNA) where: Base-Base interactions energy: -32.322 where: short stacking energy: -16.036 Base-Backbone interact. energy: 0.396 local terms energy: -33.037160 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -9.368 flat angles C4'-P-C4' energy: -9.236 flat angles P-C4'-P energy: -8.377 tors. eta vs tors. theta energy: -0.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -61.557145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.557145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.557145 (E_RNA) where: Base-Base interactions energy: -26.014 where: short stacking energy: -15.481 Base-Backbone interact. energy: -0.529 local terms energy: -35.013601 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -10.507 flat angles C4'-P-C4' energy: -10.881 flat angles P-C4'-P energy: -3.038 tors. eta vs tors. theta energy: 3.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -192.190745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.190745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.190745 (E_RNA) where: Base-Base interactions energy: -126.759 where: short stacking energy: -47.994 Base-Backbone interact. energy: -0.541 local terms energy: -64.891192 where: bonds (distance) C4'-P energy: -10.928 bonds (distance) P-C4' energy: -14.075 flat angles C4'-P-C4' energy: -13.916 flat angles P-C4'-P energy: -10.387 tors. eta vs tors. theta energy: -15.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -185.712970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.712970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.712970 (E_RNA) where: Base-Base interactions energy: -128.034 where: short stacking energy: -48.627 Base-Backbone interact. energy: 0.656 local terms energy: -58.335645 where: bonds (distance) C4'-P energy: -10.676 bonds (distance) P-C4' energy: -12.591 flat angles C4'-P-C4' energy: -14.294 flat angles P-C4'-P energy: -8.519 tors. eta vs tors. theta energy: -12.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -181.351966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.351966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.351966 (E_RNA) where: Base-Base interactions energy: -118.540 where: short stacking energy: -50.897 Base-Backbone interact. energy: -0.009 local terms energy: -62.802135 where: bonds (distance) C4'-P energy: -10.883 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -12.297 flat angles P-C4'-P energy: -10.934 tors. eta vs tors. theta energy: -15.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -185.596373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.596373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.596373 (E_RNA) where: Base-Base interactions energy: -128.290 where: short stacking energy: -44.406 Base-Backbone interact. energy: -0.028 local terms energy: -57.277779 where: bonds (distance) C4'-P energy: -12.414 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -11.467 flat angles P-C4'-P energy: -6.218 tors. eta vs tors. theta energy: -13.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -164.856229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.856229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.856229 (E_RNA) where: Base-Base interactions energy: -108.036 where: short stacking energy: -41.460 Base-Backbone interact. energy: -1.150 local terms energy: -55.670379 where: bonds (distance) C4'-P energy: -12.297 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -12.076 flat angles P-C4'-P energy: -8.172 tors. eta vs tors. theta energy: -10.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -173.523619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.523619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.523619 (E_RNA) where: Base-Base interactions energy: -122.899 where: short stacking energy: -45.473 Base-Backbone interact. energy: -0.432 local terms energy: -50.192089 where: bonds (distance) C4'-P energy: -9.760 bonds (distance) P-C4' energy: -9.941 flat angles C4'-P-C4' energy: -9.427 flat angles P-C4'-P energy: -9.471 tors. eta vs tors. theta energy: -11.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -150.752958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.752958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.752958 (E_RNA) where: Base-Base interactions energy: -106.352 where: short stacking energy: -44.314 Base-Backbone interact. energy: -0.077 local terms energy: -44.323812 where: bonds (distance) C4'-P energy: -7.389 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -9.081 tors. eta vs tors. theta energy: -12.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -63.542141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.542141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.542141 (E_RNA) where: Base-Base interactions energy: -25.741 where: short stacking energy: -25.741 Base-Backbone interact. energy: 0.434 local terms energy: -38.235688 where: bonds (distance) C4'-P energy: -9.670 bonds (distance) P-C4' energy: -11.849 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -7.308 tors. eta vs tors. theta energy: -2.470 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: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -165.815112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.815112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.815112 (E_RNA) where: Base-Base interactions energy: -112.212 where: short stacking energy: -42.225 Base-Backbone interact. energy: 0.698 local terms energy: -54.300541 where: bonds (distance) C4'-P energy: -11.040 bonds (distance) P-C4' energy: -9.886 flat angles C4'-P-C4' energy: -13.638 flat angles P-C4'-P energy: -7.869 tors. eta vs tors. theta energy: -11.867 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: 1 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -72.179557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.179557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.179557 (E_RNA) where: Base-Base interactions energy: -28.910 where: short stacking energy: -28.910 Base-Backbone interact. energy: -0.062 local terms energy: -43.208251 where: bonds (distance) C4'-P energy: -10.610 bonds (distance) P-C4' energy: -12.508 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -8.041 tors. eta vs tors. theta energy: -3.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -194.668781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.668781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.668781 (E_RNA) where: Base-Base interactions energy: -126.905 where: short stacking energy: -49.193 Base-Backbone interact. energy: -0.702 local terms energy: -67.061823 where: bonds (distance) C4'-P energy: -13.959 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -9.585 tors. eta vs tors. theta energy: -17.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -192.351550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.351550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.351550 (E_RNA) where: Base-Base interactions energy: -132.839 where: short stacking energy: -56.310 Base-Backbone interact. energy: 1.620 local terms energy: -61.132669 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -13.983 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -17.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -184.248608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.248608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.248608 (E_RNA) where: Base-Base interactions energy: -131.741 where: short stacking energy: -49.582 Base-Backbone interact. energy: -0.057 local terms energy: -52.451093 where: bonds (distance) C4'-P energy: -10.832 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -6.171 tors. eta vs tors. theta energy: -14.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -184.291178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.291178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.291178 (E_RNA) where: Base-Base interactions energy: -123.414 where: short stacking energy: -52.008 Base-Backbone interact. energy: -0.072 local terms energy: -60.804538 where: bonds (distance) C4'-P energy: -12.304 bonds (distance) P-C4' energy: -9.885 flat angles C4'-P-C4' energy: -11.940 flat angles P-C4'-P energy: -10.939 tors. eta vs tors. theta energy: -15.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -170.388218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.388218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.388218 (E_RNA) where: Base-Base interactions energy: -120.637 where: short stacking energy: -52.199 Base-Backbone interact. energy: -0.405 local terms energy: -49.345702 where: bonds (distance) C4'-P energy: -6.440 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -10.605 flat angles P-C4'-P energy: -7.066 tors. eta vs tors. theta energy: -11.744 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: 6, replica: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -168.387226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.387226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.387226 (E_RNA) where: Base-Base interactions energy: -111.606 where: short stacking energy: -43.443 Base-Backbone interact. energy: -0.009 local terms energy: -56.771724 where: bonds (distance) C4'-P energy: -11.719 bonds (distance) P-C4' energy: -13.988 flat angles C4'-P-C4' energy: -12.853 flat angles P-C4'-P energy: -6.274 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: 7, replica: 10 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -166.541528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.541528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.541528 (E_RNA) where: Base-Base interactions energy: -115.854 where: short stacking energy: -47.154 Base-Backbone interact. energy: -0.102 local terms energy: -50.585629 where: bonds (distance) C4'-P energy: -9.774 bonds (distance) P-C4' energy: -11.908 flat angles C4'-P-C4' energy: -9.261 flat angles P-C4'-P energy: -5.786 tors. eta vs tors. theta energy: -13.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -66.307148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.307148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.307148 (E_RNA) where: Base-Base interactions energy: -19.507 where: short stacking energy: -15.187 Base-Backbone interact. energy: 2.180 local terms energy: -48.980597 where: bonds (distance) C4'-P energy: -9.592 bonds (distance) P-C4' energy: -14.361 flat angles C4'-P-C4' energy: -11.248 flat angles P-C4'-P energy: -9.415 tors. eta vs tors. theta energy: -4.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -158.983578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.983578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.983578 (E_RNA) where: Base-Base interactions energy: -110.330 where: short stacking energy: -39.165 Base-Backbone interact. energy: -0.562 local terms energy: -48.091733 where: bonds (distance) C4'-P energy: -9.926 bonds (distance) P-C4' energy: -10.803 flat angles C4'-P-C4' energy: -9.581 flat angles P-C4'-P energy: -3.215 tors. eta vs tors. theta energy: -14.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -61.430556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.430556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.430556 (E_RNA) where: Base-Base interactions energy: -31.290 where: short stacking energy: -18.482 Base-Backbone interact. energy: -0.367 local terms energy: -29.773334 where: bonds (distance) C4'-P energy: -9.665 bonds (distance) P-C4' energy: -10.492 flat angles C4'-P-C4' energy: -3.618 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: 2.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -186.320695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.320695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.320695 (E_RNA) where: Base-Base interactions energy: -123.414 where: short stacking energy: -48.541 Base-Backbone interact. energy: 0.712 local terms energy: -63.618202 where: bonds (distance) C4'-P energy: -13.338 bonds (distance) P-C4' energy: -15.322 flat angles C4'-P-C4' energy: -12.333 flat angles P-C4'-P energy: -10.696 tors. eta vs tors. theta energy: -11.929 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: 2 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -189.406284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.406284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.406284 (E_RNA) where: Base-Base interactions energy: -130.385 where: short stacking energy: -50.721 Base-Backbone interact. energy: -1.342 local terms energy: -57.679451 where: bonds (distance) C4'-P energy: -10.521 bonds (distance) P-C4' energy: -12.116 flat angles C4'-P-C4' energy: -13.114 flat angles P-C4'-P energy: -7.396 tors. eta vs tors. theta energy: -14.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -180.288678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.288678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.288678 (E_RNA) where: Base-Base interactions energy: -115.632 where: short stacking energy: -47.027 Base-Backbone interact. energy: -0.242 local terms energy: -64.414084 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -14.558 flat angles C4'-P-C4' energy: -14.304 flat angles P-C4'-P energy: -8.923 tors. eta vs tors. theta energy: -14.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -176.409935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.409935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.409935 (E_RNA) where: Base-Base interactions energy: -116.824 where: short stacking energy: -46.736 Base-Backbone interact. energy: -0.388 local terms energy: -59.197447 where: bonds (distance) C4'-P energy: -10.027 bonds (distance) P-C4' energy: -12.337 flat angles C4'-P-C4' energy: -11.291 flat angles P-C4'-P energy: -9.459 tors. eta vs tors. theta energy: -16.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -177.962255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.962255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.962255 (E_RNA) where: Base-Base interactions energy: -115.793 where: short stacking energy: -51.739 Base-Backbone interact. energy: -0.590 local terms energy: -61.579843 where: bonds (distance) C4'-P energy: -10.414 bonds (distance) P-C4' energy: -12.976 flat angles C4'-P-C4' energy: -14.593 flat angles P-C4'-P energy: -8.646 tors. eta vs tors. theta energy: -14.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -184.229360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.229360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.229360 (E_RNA) where: Base-Base interactions energy: -120.989 where: short stacking energy: -43.693 Base-Backbone interact. energy: -0.874 local terms energy: -62.366379 where: bonds (distance) C4'-P energy: -12.405 bonds (distance) P-C4' energy: -12.066 flat angles C4'-P-C4' energy: -12.060 flat angles P-C4'-P energy: -10.996 tors. eta vs tors. theta energy: -14.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -172.588554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.588554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.588554 (E_RNA) where: Base-Base interactions energy: -112.162 where: short stacking energy: -47.286 Base-Backbone interact. energy: -0.297 local terms energy: -60.129712 where: bonds (distance) C4'-P energy: -13.780 bonds (distance) P-C4' energy: -10.160 flat angles C4'-P-C4' energy: -13.093 flat angles P-C4'-P energy: -8.093 tors. eta vs tors. theta energy: -15.003 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: 9 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -167.353205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.353205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.353205 (E_RNA) where: Base-Base interactions energy: -121.249 where: short stacking energy: -44.867 Base-Backbone interact. energy: -0.009 local terms energy: -46.095383 where: bonds (distance) C4'-P energy: -6.977 bonds (distance) P-C4' energy: -10.215 flat angles C4'-P-C4' energy: -12.246 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -11.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -72.439407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.439407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.439407 (E_RNA) where: Base-Base interactions energy: -28.268 where: short stacking energy: -28.268 Base-Backbone interact. energy: -0.085 local terms energy: -44.086502 where: bonds (distance) C4'-P energy: -11.313 bonds (distance) P-C4' energy: -13.931 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -3.402 tors. eta vs tors. theta energy: -7.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -61.031138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.031138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.031138 (E_RNA) where: Base-Base interactions energy: -24.416 where: short stacking energy: -18.886 Base-Backbone interact. energy: -0.108 local terms energy: -36.507819 where: bonds (distance) C4'-P energy: -11.483 bonds (distance) P-C4' energy: -11.716 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -6.893 tors. eta vs tors. theta energy: -0.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -187.857262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.857262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.857262 (E_RNA) where: Base-Base interactions energy: -127.897 where: short stacking energy: -51.019 Base-Backbone interact. energy: -0.104 local terms energy: -59.856353 where: bonds (distance) C4'-P energy: -12.411 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -12.770 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -17.031 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: 2, replica: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -190.634443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.634443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.634443 (E_RNA) where: Base-Base interactions energy: -128.110 where: short stacking energy: -53.692 Base-Backbone interact. energy: -1.092 local terms energy: -61.432438 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -11.994 flat angles P-C4'-P energy: -10.250 tors. eta vs tors. theta energy: -12.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -187.754770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.754770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.754770 (E_RNA) where: Base-Base interactions energy: -126.421 where: short stacking energy: -51.924 Base-Backbone interact. energy: -0.144 local terms energy: -61.190185 where: bonds (distance) C4'-P energy: -10.941 bonds (distance) P-C4' energy: -15.591 flat angles C4'-P-C4' energy: -13.089 flat angles P-C4'-P energy: -10.074 tors. eta vs tors. theta energy: -11.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -177.656876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.656876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.656876 (E_RNA) where: Base-Base interactions energy: -123.880 where: short stacking energy: -47.616 Base-Backbone interact. energy: -0.359 local terms energy: -53.417684 where: bonds (distance) C4'-P energy: -8.670 bonds (distance) P-C4' energy: -11.063 flat angles C4'-P-C4' energy: -12.719 flat angles P-C4'-P energy: -6.785 tors. eta vs tors. theta energy: -14.181 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: 4 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -175.513501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.513501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.513501 (E_RNA) where: Base-Base interactions energy: -122.285 where: short stacking energy: -51.172 Base-Backbone interact. energy: -0.086 local terms energy: -53.143370 where: bonds (distance) C4'-P energy: -10.721 bonds (distance) P-C4' energy: -9.431 flat angles C4'-P-C4' energy: -13.671 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -13.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -169.679561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.679561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.679561 (E_RNA) where: Base-Base interactions energy: -110.926 where: short stacking energy: -43.998 Base-Backbone interact. energy: -0.041 local terms energy: -58.713191 where: bonds (distance) C4'-P energy: -9.322 bonds (distance) P-C4' energy: -10.063 flat angles C4'-P-C4' energy: -12.739 flat angles P-C4'-P energy: -11.503 tors. eta vs tors. theta energy: -15.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -170.429046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.429046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.429046 (E_RNA) where: Base-Base interactions energy: -116.726 where: short stacking energy: -39.279 Base-Backbone interact. energy: -0.159 local terms energy: -53.543839 where: bonds (distance) C4'-P energy: -9.598 bonds (distance) P-C4' energy: -10.219 flat angles C4'-P-C4' energy: -12.471 flat angles P-C4'-P energy: -7.473 tors. eta vs tors. theta energy: -13.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -160.432007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.432007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.432007 (E_RNA) where: Base-Base interactions energy: -110.317 where: short stacking energy: -44.655 Base-Backbone interact. energy: -0.299 local terms energy: -49.816491 where: bonds (distance) C4'-P energy: -7.906 bonds (distance) P-C4' energy: -12.106 flat angles C4'-P-C4' energy: -12.102 flat angles P-C4'-P energy: -9.881 tors. eta vs tors. theta energy: -7.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -86.348313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.348313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.348313 (E_RNA) where: Base-Base interactions energy: -43.983 where: short stacking energy: -26.943 Base-Backbone interact. energy: -0.280 local terms energy: -42.085109 where: bonds (distance) C4'-P energy: -9.562 bonds (distance) P-C4' energy: -9.200 flat angles C4'-P-C4' energy: -14.196 flat angles P-C4'-P energy: -8.906 tors. eta vs tors. theta energy: -0.221 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: 10, replica: 7 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -57.141648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.141648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.141648 (E_RNA) where: Base-Base interactions energy: -24.792 where: short stacking energy: -20.749 Base-Backbone interact. energy: -0.102 local terms energy: -32.247770 where: bonds (distance) C4'-P energy: -5.864 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -8.903 tors. eta vs tors. theta energy: 0.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -185.456158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.456158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.456158 (E_RNA) where: Base-Base interactions energy: -123.012 where: short stacking energy: -44.629 Base-Backbone interact. energy: -0.178 local terms energy: -62.265809 where: bonds (distance) C4'-P energy: -12.824 bonds (distance) P-C4' energy: -10.981 flat angles C4'-P-C4' energy: -12.779 flat angles P-C4'-P energy: -9.137 tors. eta vs tors. theta energy: -16.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -199.462270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.462270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.462270 (E_RNA) where: Base-Base interactions energy: -138.745 where: short stacking energy: -46.022 Base-Backbone interact. energy: -0.458 local terms energy: -60.259127 where: bonds (distance) C4'-P energy: -11.815 bonds (distance) P-C4' energy: -13.877 flat angles C4'-P-C4' energy: -12.064 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -16.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -179.730177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.730177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.730177 (E_RNA) where: Base-Base interactions energy: -122.876 where: short stacking energy: -48.144 Base-Backbone interact. energy: -0.004 local terms energy: -56.850496 where: bonds (distance) C4'-P energy: -10.970 bonds (distance) P-C4' energy: -11.971 flat angles C4'-P-C4' energy: -11.657 flat angles P-C4'-P energy: -11.274 tors. eta vs tors. theta energy: -10.979 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: 4 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -190.759547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.759547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.759547 (E_RNA) where: Base-Base interactions energy: -123.375 where: short stacking energy: -55.562 Base-Backbone interact. energy: -0.234 local terms energy: -67.150679 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -14.472 flat angles P-C4'-P energy: -9.312 tors. eta vs tors. theta energy: -14.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -174.072238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.072238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.072238 (E_RNA) where: Base-Base interactions energy: -121.277 where: short stacking energy: -53.316 Base-Backbone interact. energy: -0.233 local terms energy: -52.562022 where: bonds (distance) C4'-P energy: -8.468 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -10.659 flat angles P-C4'-P energy: -8.223 tors. eta vs tors. theta energy: -12.991 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: 9 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -177.716728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.716728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.716728 (E_RNA) where: Base-Base interactions energy: -117.364 where: short stacking energy: -46.662 Base-Backbone interact. energy: 0.379 local terms energy: -60.731681 where: bonds (distance) C4'-P energy: -11.310 bonds (distance) P-C4' energy: -12.013 flat angles C4'-P-C4' energy: -12.289 flat angles P-C4'-P energy: -10.582 tors. eta vs tors. theta energy: -14.539 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: 10 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -171.870404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.870404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.870404 (E_RNA) where: Base-Base interactions energy: -114.493 where: short stacking energy: -48.160 Base-Backbone interact. energy: 1.004 local terms energy: -58.381446 where: bonds (distance) C4'-P energy: -11.156 bonds (distance) P-C4' energy: -11.323 flat angles C4'-P-C4' energy: -13.257 flat angles P-C4'-P energy: -8.596 tors. eta vs tors. theta energy: -14.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -156.014617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.014617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.014617 (E_RNA) where: Base-Base interactions energy: -105.406 where: short stacking energy: -50.352 Base-Backbone interact. energy: -0.008 local terms energy: -50.600659 where: bonds (distance) C4'-P energy: -10.253 bonds (distance) P-C4' energy: -6.301 flat angles C4'-P-C4' energy: -11.037 flat angles P-C4'-P energy: -9.207 tors. eta vs tors. theta energy: -13.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -56.890616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.890616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.890616 (E_RNA) where: Base-Base interactions energy: -16.804 where: short stacking energy: -16.804 Base-Backbone interact. energy: 1.111 local terms energy: -41.197688 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -9.268 flat angles C4'-P-C4' energy: -10.568 flat angles P-C4'-P energy: -7.917 tors. eta vs tors. theta energy: 0.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -61.551855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.551855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.551855 (E_RNA) where: Base-Base interactions energy: -33.191 where: short stacking energy: -12.380 Base-Backbone interact. energy: -0.327 local terms energy: -28.033363 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -10.569 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: 3.425 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: 3 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -189.145857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.145857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.145857 (E_RNA) where: Base-Base interactions energy: -123.104 where: short stacking energy: -50.712 Base-Backbone interact. energy: -1.054 local terms energy: -64.987375 where: bonds (distance) C4'-P energy: -12.956 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -12.404 flat angles P-C4'-P energy: -10.210 tors. eta vs tors. theta energy: -14.529 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: 2 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -190.095409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.095409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.095409 (E_RNA) where: Base-Base interactions energy: -125.814 where: short stacking energy: -49.963 Base-Backbone interact. energy: -0.007 local terms energy: -64.274357 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -12.658 flat angles C4'-P-C4' energy: -12.202 flat angles P-C4'-P energy: -10.533 tors. eta vs tors. theta energy: -15.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -178.303310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.303310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.303310 (E_RNA) where: Base-Base interactions energy: -120.395 where: short stacking energy: -48.302 Base-Backbone interact. energy: -0.333 local terms energy: -57.575352 where: bonds (distance) C4'-P energy: -12.527 bonds (distance) P-C4' energy: -13.830 flat angles C4'-P-C4' energy: -11.057 flat angles P-C4'-P energy: -5.849 tors. eta vs tors. theta energy: -14.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -182.899266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.899266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.899266 (E_RNA) where: Base-Base interactions energy: -125.187 where: short stacking energy: -49.803 Base-Backbone interact. energy: -0.233 local terms energy: -57.479434 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -13.253 flat angles P-C4'-P energy: -6.397 tors. eta vs tors. theta energy: -14.224 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: 6 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -175.384234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.384234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.384234 (E_RNA) where: Base-Base interactions energy: -126.679 where: short stacking energy: -51.185 Base-Backbone interact. energy: -0.002 local terms energy: -48.702650 where: bonds (distance) C4'-P energy: -7.992 bonds (distance) P-C4' energy: -7.555 flat angles C4'-P-C4' energy: -13.722 flat angles P-C4'-P energy: -5.069 tors. eta vs tors. theta energy: -14.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -174.557263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.557263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.557263 (E_RNA) where: Base-Base interactions energy: -117.442 where: short stacking energy: -47.652 Base-Backbone interact. energy: -0.003 local terms energy: -57.112763 where: bonds (distance) C4'-P energy: -14.348 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -9.910 flat angles P-C4'-P energy: -6.900 tors. eta vs tors. theta energy: -13.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -173.895465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.895465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.895465 (E_RNA) where: Base-Base interactions energy: -117.556 where: short stacking energy: -40.546 Base-Backbone interact. energy: -0.058 local terms energy: -56.282295 where: bonds (distance) C4'-P energy: -12.672 bonds (distance) P-C4' energy: -11.746 flat angles C4'-P-C4' energy: -11.219 flat angles P-C4'-P energy: -7.694 tors. eta vs tors. theta energy: -12.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -158.782904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.782904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.782904 (E_RNA) where: Base-Base interactions energy: -104.917 where: short stacking energy: -47.580 Base-Backbone interact. energy: 0.374 local terms energy: -54.239925 where: bonds (distance) C4'-P energy: -10.842 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -11.711 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -13.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -71.154010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.154010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.154010 (E_RNA) where: Base-Base interactions energy: -29.684 where: short stacking energy: -23.859 Base-Backbone interact. energy: -0.526 local terms energy: -40.944078 where: bonds (distance) C4'-P energy: -11.036 bonds (distance) P-C4' energy: -12.445 flat angles C4'-P-C4' energy: -8.702 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -4.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -110.344338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.344338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.344338 (E_RNA) where: Base-Base interactions energy: -75.163 where: short stacking energy: -32.964 Base-Backbone interact. energy: -0.083 local terms energy: -35.098291 where: bonds (distance) C4'-P energy: -8.378 bonds (distance) P-C4' energy: -12.265 flat angles C4'-P-C4' energy: -8.506 flat angles P-C4'-P energy: -2.062 tors. eta vs tors. theta energy: -3.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -191.219682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.219682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.219682 (E_RNA) where: Base-Base interactions energy: -133.881 where: short stacking energy: -54.104 Base-Backbone interact. energy: -0.531 local terms energy: -56.807591 where: bonds (distance) C4'-P energy: -10.042 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -12.225 flat angles P-C4'-P energy: -8.210 tors. eta vs tors. theta energy: -13.768 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: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -183.656435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.656435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.656435 (E_RNA) where: Base-Base interactions energy: -126.275 where: short stacking energy: -48.585 Base-Backbone interact. energy: -0.056 local terms energy: -57.325932 where: bonds (distance) C4'-P energy: -10.668 bonds (distance) P-C4' energy: -10.447 flat angles C4'-P-C4' energy: -12.827 flat angles P-C4'-P energy: -7.668 tors. eta vs tors. theta energy: -15.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -185.910233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.910233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.910233 (E_RNA) where: Base-Base interactions energy: -127.862 where: short stacking energy: -51.341 Base-Backbone interact. energy: -0.292 local terms energy: -57.756090 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -7.908 tors. eta vs tors. theta energy: -15.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -177.630062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.630062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.630062 (E_RNA) where: Base-Base interactions energy: -121.962 where: short stacking energy: -43.085 Base-Backbone interact. energy: -0.109 local terms energy: -55.559178 where: bonds (distance) C4'-P energy: -11.091 bonds (distance) P-C4' energy: -11.095 flat angles C4'-P-C4' energy: -11.560 flat angles P-C4'-P energy: -7.808 tors. eta vs tors. theta energy: -14.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -182.298021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.298021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.298021 (E_RNA) where: Base-Base interactions energy: -119.675 where: short stacking energy: -46.382 Base-Backbone interact. energy: -0.001 local terms energy: -62.622228 where: bonds (distance) C4'-P energy: -13.072 bonds (distance) P-C4' energy: -10.707 flat angles C4'-P-C4' energy: -14.259 flat angles P-C4'-P energy: -9.210 tors. eta vs tors. theta energy: -15.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -169.307757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.307757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.307757 (E_RNA) where: Base-Base interactions energy: -108.941 where: short stacking energy: -39.593 Base-Backbone interact. energy: -0.750 local terms energy: -59.616819 where: bonds (distance) C4'-P energy: -10.104 bonds (distance) P-C4' energy: -15.820 flat angles C4'-P-C4' energy: -14.051 flat angles P-C4'-P energy: -6.500 tors. eta vs tors. theta energy: -13.142 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: 7, replica: 8 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -168.188074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.188074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.188074 (E_RNA) where: Base-Base interactions energy: -114.599 where: short stacking energy: -38.289 Base-Backbone interact. energy: -0.279 local terms energy: -53.309928 where: bonds (distance) C4'-P energy: -10.527 bonds (distance) P-C4' energy: -10.812 flat angles C4'-P-C4' energy: -10.277 flat angles P-C4'-P energy: -8.824 tors. eta vs tors. theta energy: -12.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -147.477909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.477909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.477909 (E_RNA) where: Base-Base interactions energy: -97.556 where: short stacking energy: -38.817 Base-Backbone interact. energy: -1.749 local terms energy: -48.172408 where: bonds (distance) C4'-P energy: -11.587 bonds (distance) P-C4' energy: -11.675 flat angles C4'-P-C4' energy: -10.567 flat angles P-C4'-P energy: -6.018 tors. eta vs tors. theta energy: -8.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -65.461882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.461882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.461882 (E_RNA) where: Base-Base interactions energy: -24.465 where: short stacking energy: -22.768 Base-Backbone interact. energy: -1.064 local terms energy: -39.933649 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -8.314 tors. eta vs tors. theta energy: -3.904 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: 1 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -57.796566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.796566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.796566 (E_RNA) where: Base-Base interactions energy: -21.346 where: short stacking energy: -14.125 Base-Backbone interact. energy: -0.044 local terms energy: -36.407004 where: bonds (distance) C4'-P energy: -11.310 bonds (distance) P-C4' energy: -10.235 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -6.996 tors. eta vs tors. theta energy: -0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -190.171148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.171148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.171148 (E_RNA) where: Base-Base interactions energy: -128.191 where: short stacking energy: -46.497 Base-Backbone interact. energy: -0.075 local terms energy: -61.904496 where: bonds (distance) C4'-P energy: -11.657 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -14.912 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -15.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -189.127114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.127114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.127114 (E_RNA) where: Base-Base interactions energy: -123.209 where: short stacking energy: -41.719 Base-Backbone interact. energy: -0.069 local terms energy: -65.849001 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -12.825 flat angles P-C4'-P energy: -8.802 tors. eta vs tors. theta energy: -15.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -181.719304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.719304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.719304 (E_RNA) where: Base-Base interactions energy: -118.786 where: short stacking energy: -43.653 Base-Backbone interact. energy: -0.002 local terms energy: -62.930390 where: bonds (distance) C4'-P energy: -12.763 bonds (distance) P-C4' energy: -12.672 flat angles C4'-P-C4' energy: -11.537 flat angles P-C4'-P energy: -9.980 tors. eta vs tors. theta energy: -15.979 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: 2 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -181.747750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.747750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.747750 (E_RNA) where: Base-Base interactions energy: -118.266 where: short stacking energy: -44.372 Base-Backbone interact. energy: -0.048 local terms energy: -63.434583 where: bonds (distance) C4'-P energy: -12.799 bonds (distance) P-C4' energy: -12.948 flat angles C4'-P-C4' energy: -14.343 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -16.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -179.367111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.367111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.367111 (E_RNA) where: Base-Base interactions energy: -125.334 where: short stacking energy: -51.787 Base-Backbone interact. energy: -0.044 local terms energy: -53.988923 where: bonds (distance) C4'-P energy: -12.547 bonds (distance) P-C4' energy: -11.826 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -7.037 tors. eta vs tors. theta energy: -16.378 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: 82 Temperature: 1.150000 Total energy: -173.522005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.522005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.522005 (E_RNA) where: Base-Base interactions energy: -111.478 where: short stacking energy: -49.087 Base-Backbone interact. energy: -1.192 local terms energy: -60.851265 where: bonds (distance) C4'-P energy: -13.177 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -13.051 flat angles P-C4'-P energy: -9.330 tors. eta vs tors. theta energy: -11.539 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: 8 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -171.655603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.655603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.655603 (E_RNA) where: Base-Base interactions energy: -118.905 where: short stacking energy: -47.315 Base-Backbone interact. energy: -0.000 local terms energy: -52.750081 where: bonds (distance) C4'-P energy: -10.286 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -9.243 flat angles P-C4'-P energy: -8.756 tors. eta vs tors. theta energy: -10.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -154.037725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.037725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.037725 (E_RNA) where: Base-Base interactions energy: -101.328 where: short stacking energy: -40.458 Base-Backbone interact. energy: -0.587 local terms energy: -52.122088 where: bonds (distance) C4'-P energy: -7.901 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -12.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -72.680409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.680409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.680409 (E_RNA) where: Base-Base interactions energy: -27.483 where: short stacking energy: -22.443 Base-Backbone interact. energy: -0.166 local terms energy: -45.031596 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -6.652 flat angles P-C4'-P energy: -9.147 tors. eta vs tors. theta energy: -2.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -59.342780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.342780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.342780 (E_RNA) where: Base-Base interactions energy: -17.886 where: short stacking energy: -15.935 Base-Backbone interact. energy: -0.037 local terms energy: -41.419093 where: bonds (distance) C4'-P energy: -8.556 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -9.314 flat angles P-C4'-P energy: -8.453 tors. eta vs tors. theta energy: -2.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -187.554792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.554792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.554792 (E_RNA) where: Base-Base interactions energy: -125.357 where: short stacking energy: -49.802 Base-Backbone interact. energy: -0.000 local terms energy: -62.197677 where: bonds (distance) C4'-P energy: -13.669 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -11.297 flat angles P-C4'-P energy: -8.003 tors. eta vs tors. theta energy: -14.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -186.946142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.946142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.946142 (E_RNA) where: Base-Base interactions energy: -130.246 where: short stacking energy: -50.644 Base-Backbone interact. energy: -0.732 local terms energy: -55.968247 where: bonds (distance) C4'-P energy: -7.103 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -12.690 flat angles P-C4'-P energy: -8.506 tors. eta vs tors. theta energy: -15.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -176.859320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.859320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.859320 (E_RNA) where: Base-Base interactions energy: -117.868 where: short stacking energy: -47.072 Base-Backbone interact. energy: -0.100 local terms energy: -58.891040 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -12.250 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -8.808 tors. eta vs tors. theta energy: -11.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -174.982536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.982536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.982536 (E_RNA) where: Base-Base interactions energy: -120.062 where: short stacking energy: -44.285 Base-Backbone interact. energy: -0.569 local terms energy: -54.351119 where: bonds (distance) C4'-P energy: -10.345 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -11.892 flat angles P-C4'-P energy: -9.895 tors. eta vs tors. theta energy: -13.345 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: 2 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -178.257114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.257114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.257114 (E_RNA) where: Base-Base interactions energy: -121.956 where: short stacking energy: -45.738 Base-Backbone interact. energy: -0.115 local terms energy: -56.185620 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -13.729 flat angles P-C4'-P energy: -7.225 tors. eta vs tors. theta energy: -14.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -175.555873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.555873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.555873 (E_RNA) where: Base-Base interactions energy: -117.868 where: short stacking energy: -45.928 Base-Backbone interact. energy: -0.002 local terms energy: -57.686095 where: bonds (distance) C4'-P energy: -11.677 bonds (distance) P-C4' energy: -11.058 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -7.221 tors. eta vs tors. theta energy: -14.843 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: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -178.185994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.185994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.185994 (E_RNA) where: Base-Base interactions energy: -117.730 where: short stacking energy: -51.917 Base-Backbone interact. energy: -0.451 local terms energy: -60.005743 where: bonds (distance) C4'-P energy: -10.730 bonds (distance) P-C4' energy: -12.448 flat angles C4'-P-C4' energy: -12.066 flat angles P-C4'-P energy: -9.235 tors. eta vs tors. theta energy: -15.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -161.180256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.180256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.180256 (E_RNA) where: Base-Base interactions energy: -105.725 where: short stacking energy: -43.358 Base-Backbone interact. energy: -0.659 local terms energy: -54.796060 where: bonds (distance) C4'-P energy: -10.279 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -13.468 flat angles P-C4'-P energy: -7.032 tors. eta vs tors. theta energy: -10.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -62.805143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.805143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.805143 (E_RNA) where: Base-Base interactions energy: -23.486 where: short stacking energy: -23.486 Base-Backbone interact. energy: -0.180 local terms energy: -39.139807 where: bonds (distance) C4'-P energy: -10.212 bonds (distance) P-C4' energy: -10.986 flat angles C4'-P-C4' energy: -8.529 flat angles P-C4'-P energy: -6.947 tors. eta vs tors. theta energy: -2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -60.047625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.047625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.047625 (E_RNA) where: Base-Base interactions energy: -20.296 where: short stacking energy: -20.296 Base-Backbone interact. energy: -0.083 local terms energy: -39.668892 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -8.144 flat angles P-C4'-P energy: -7.871 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -193.413330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.413330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.413330 (E_RNA) where: Base-Base interactions energy: -126.706 where: short stacking energy: -52.521 Base-Backbone interact. energy: -0.000 local terms energy: -66.707108 where: bonds (distance) C4'-P energy: -14.741 bonds (distance) P-C4' energy: -13.652 flat angles C4'-P-C4' energy: -12.969 flat angles P-C4'-P energy: -9.720 tors. eta vs tors. theta energy: -15.625 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: 3 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -184.041706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.041706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.041706 (E_RNA) where: Base-Base interactions energy: -124.387 where: short stacking energy: -48.024 Base-Backbone interact. energy: -0.607 local terms energy: -59.047998 where: bonds (distance) C4'-P energy: -9.864 bonds (distance) P-C4' energy: -12.300 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -7.563 tors. eta vs tors. theta energy: -17.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -180.990677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.990677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.990677 (E_RNA) where: Base-Base interactions energy: -121.487 where: short stacking energy: -50.254 Base-Backbone interact. energy: -0.781 local terms energy: -58.723034 where: bonds (distance) C4'-P energy: -12.101 bonds (distance) P-C4' energy: -11.942 flat angles C4'-P-C4' energy: -11.122 flat angles P-C4'-P energy: -6.579 tors. eta vs tors. theta energy: -16.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -179.662567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.662567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.662567 (E_RNA) where: Base-Base interactions energy: -124.432 where: short stacking energy: -44.911 Base-Backbone interact. energy: -0.011 local terms energy: -55.220059 where: bonds (distance) C4'-P energy: -10.378 bonds (distance) P-C4' energy: -11.254 flat angles C4'-P-C4' energy: -12.130 flat angles P-C4'-P energy: -7.682 tors. eta vs tors. theta energy: -13.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -172.718990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.718990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.718990 (E_RNA) where: Base-Base interactions energy: -124.017 where: short stacking energy: -51.631 Base-Backbone interact. energy: -0.302 local terms energy: -48.399407 where: bonds (distance) C4'-P energy: -10.464 bonds (distance) P-C4' energy: -14.876 flat angles C4'-P-C4' energy: -8.965 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -11.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -178.005527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.005527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.005527 (E_RNA) where: Base-Base interactions energy: -117.390 where: short stacking energy: -51.237 Base-Backbone interact. energy: -0.001 local terms energy: -60.614742 where: bonds (distance) C4'-P energy: -13.080 bonds (distance) P-C4' energy: -10.161 flat angles C4'-P-C4' energy: -13.672 flat angles P-C4'-P energy: -10.693 tors. eta vs tors. theta energy: -13.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -171.176856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.176856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.176856 (E_RNA) where: Base-Base interactions energy: -116.502 where: short stacking energy: -49.319 Base-Backbone interact. energy: -0.095 local terms energy: -54.579858 where: bonds (distance) C4'-P energy: -10.948 bonds (distance) P-C4' energy: -12.298 flat angles C4'-P-C4' energy: -8.181 flat angles P-C4'-P energy: -7.107 tors. eta vs tors. theta energy: -16.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -166.772718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.772718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.772718 (E_RNA) where: Base-Base interactions energy: -112.391 where: short stacking energy: -42.163 Base-Backbone interact. energy: -0.083 local terms energy: -54.299071 where: bonds (distance) C4'-P energy: -10.543 bonds (distance) P-C4' energy: -11.683 flat angles C4'-P-C4' energy: -11.092 flat angles P-C4'-P energy: -6.683 tors. eta vs tors. theta energy: -14.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -63.564914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.564914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.564914 (E_RNA) where: Base-Base interactions energy: -25.801 where: short stacking energy: -25.801 Base-Backbone interact. energy: -0.240 local terms energy: -37.524264 where: bonds (distance) C4'-P energy: -7.776 bonds (distance) P-C4' energy: -9.167 flat angles C4'-P-C4' energy: -9.516 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -2.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -65.736528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.736528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.736528 (E_RNA) where: Base-Base interactions energy: -15.760 where: short stacking energy: -15.760 Base-Backbone interact. energy: -0.161 local terms energy: -49.815385 where: bonds (distance) C4'-P energy: -10.083 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -12.944 flat angles P-C4'-P energy: -11.789 tors. eta vs tors. theta energy: -1.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -184.771567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.771567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.771567 (E_RNA) where: Base-Base interactions energy: -126.376 where: short stacking energy: -52.481 Base-Backbone interact. energy: -0.800 local terms energy: -57.596186 where: bonds (distance) C4'-P energy: -9.783 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -12.277 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -16.262 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: 3 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -179.289163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.289163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.289163 (E_RNA) where: Base-Base interactions energy: -122.070 where: short stacking energy: -42.825 Base-Backbone interact. energy: -0.114 local terms energy: -57.105059 where: bonds (distance) C4'-P energy: -12.853 bonds (distance) P-C4' energy: -11.607 flat angles C4'-P-C4' energy: -12.475 flat angles P-C4'-P energy: -7.057 tors. eta vs tors. theta energy: -13.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -185.990837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.990837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.990837 (E_RNA) where: Base-Base interactions energy: -127.717 where: short stacking energy: -48.781 Base-Backbone interact. energy: -0.001 local terms energy: -58.272846 where: bonds (distance) C4'-P energy: -11.260 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -13.676 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -14.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -178.648487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.648487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.648487 (E_RNA) where: Base-Base interactions energy: -124.967 where: short stacking energy: -39.196 Base-Backbone interact. energy: -0.669 local terms energy: -53.012486 where: bonds (distance) C4'-P energy: -10.812 bonds (distance) P-C4' energy: -12.066 flat angles C4'-P-C4' energy: -10.838 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: -13.544 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: 6 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -177.833417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.833417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.833417 (E_RNA) where: Base-Base interactions energy: -118.720 where: short stacking energy: -50.621 Base-Backbone interact. energy: -0.597 local terms energy: -58.516610 where: bonds (distance) C4'-P energy: -12.246 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -9.764 flat angles P-C4'-P energy: -6.809 tors. eta vs tors. theta energy: -16.634 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: 10 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -165.369851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.369851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.369851 (E_RNA) where: Base-Base interactions energy: -109.588 where: short stacking energy: -41.201 Base-Backbone interact. energy: -0.194 local terms energy: -55.587570 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -11.761 flat angles P-C4'-P energy: -7.753 tors. eta vs tors. theta energy: -8.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -173.691673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.691673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.691673 (E_RNA) where: Base-Base interactions energy: -115.054 where: short stacking energy: -44.166 Base-Backbone interact. energy: -0.116 local terms energy: -58.521439 where: bonds (distance) C4'-P energy: -11.313 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -13.867 flat angles P-C4'-P energy: -11.026 tors. eta vs tors. theta energy: -15.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -172.123420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.123420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.123420 (E_RNA) where: Base-Base interactions energy: -114.750 where: short stacking energy: -45.427 Base-Backbone interact. energy: -0.097 local terms energy: -57.276313 where: bonds (distance) C4'-P energy: -11.714 bonds (distance) P-C4' energy: -9.465 flat angles C4'-P-C4' energy: -13.454 flat angles P-C4'-P energy: -8.629 tors. eta vs tors. theta energy: -14.014 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: 7 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -78.794919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.794919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.794919 (E_RNA) where: Base-Base interactions energy: -29.318 where: short stacking energy: -29.318 Base-Backbone interact. energy: -0.101 local terms energy: -49.375260 where: bonds (distance) C4'-P energy: -14.170 bonds (distance) P-C4' energy: -10.826 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -5.643 tors. eta vs tors. theta energy: -12.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -63.130387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.130387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.130387 (E_RNA) where: Base-Base interactions energy: -19.725 where: short stacking energy: -19.725 Base-Backbone interact. energy: -0.175 local terms energy: -43.229624 where: bonds (distance) C4'-P energy: -9.968 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -8.536 flat angles P-C4'-P energy: -6.356 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -188.652486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.652486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.652486 (E_RNA) where: Base-Base interactions energy: -124.858 where: short stacking energy: -50.871 Base-Backbone interact. energy: -0.200 local terms energy: -63.593961 where: bonds (distance) C4'-P energy: -13.690 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -12.544 flat angles P-C4'-P energy: -7.966 tors. eta vs tors. theta energy: -14.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -183.080568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.080568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.080568 (E_RNA) where: Base-Base interactions energy: -125.265 where: short stacking energy: -47.192 Base-Backbone interact. energy: -1.108 local terms energy: -56.707741 where: bonds (distance) C4'-P energy: -9.011 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -11.978 flat angles P-C4'-P energy: -9.669 tors. eta vs tors. theta energy: -14.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -183.923353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.923353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.923353 (E_RNA) where: Base-Base interactions energy: -124.200 where: short stacking energy: -51.085 Base-Backbone interact. energy: -0.010 local terms energy: -59.712909 where: bonds (distance) C4'-P energy: -12.224 bonds (distance) P-C4' energy: -12.147 flat angles C4'-P-C4' energy: -12.327 flat angles P-C4'-P energy: -8.631 tors. eta vs tors. theta energy: -14.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -170.633180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.633180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.633180 (E_RNA) where: Base-Base interactions energy: -116.585 where: short stacking energy: -45.749 Base-Backbone interact. energy: -0.532 local terms energy: -53.515821 where: bonds (distance) C4'-P energy: -10.444 bonds (distance) P-C4' energy: -14.284 flat angles C4'-P-C4' energy: -12.773 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: -10.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -181.232023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.232023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.232023 (E_RNA) where: Base-Base interactions energy: -120.407 where: short stacking energy: -49.086 Base-Backbone interact. energy: -0.047 local terms energy: -60.777269 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -12.402 flat angles C4'-P-C4' energy: -13.277 flat angles P-C4'-P energy: -8.065 tors. eta vs tors. theta energy: -13.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -174.009461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.009461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.009461 (E_RNA) where: Base-Base interactions energy: -116.392 where: short stacking energy: -48.909 Base-Backbone interact. energy: -0.419 local terms energy: -57.198839 where: bonds (distance) C4'-P energy: -11.478 bonds (distance) P-C4' energy: -8.008 flat angles C4'-P-C4' energy: -13.254 flat angles P-C4'-P energy: -8.462 tors. eta vs tors. theta energy: -15.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -174.197350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.197350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.197350 (E_RNA) where: Base-Base interactions energy: -117.945 where: short stacking energy: -41.142 Base-Backbone interact. energy: -0.064 local terms energy: -56.188283 where: bonds (distance) C4'-P energy: -11.636 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -13.358 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -14.458 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: 86 Temperature: 1.250000 Total energy: -154.875403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.875403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.875403 (E_RNA) where: Base-Base interactions energy: -105.693 where: short stacking energy: -46.371 Base-Backbone interact. energy: -0.338 local terms energy: -48.843850 where: bonds (distance) C4'-P energy: -10.833 bonds (distance) P-C4' energy: -11.260 flat angles C4'-P-C4' energy: -9.341 flat angles P-C4'-P energy: -8.051 tors. eta vs tors. theta energy: -9.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -64.381645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.381645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.381645 (E_RNA) where: Base-Base interactions energy: -20.199 where: short stacking energy: -16.832 Base-Backbone interact. energy: 1.592 local terms energy: -45.774356 where: bonds (distance) C4'-P energy: -13.035 bonds (distance) P-C4' energy: -11.450 flat angles C4'-P-C4' energy: -12.382 flat angles P-C4'-P energy: -6.802 tors. eta vs tors. theta energy: -2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -69.488101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.488101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.488101 (E_RNA) where: Base-Base interactions energy: -29.512 where: short stacking energy: -25.657 Base-Backbone interact. energy: -0.244 local terms energy: -39.731804 where: bonds (distance) C4'-P energy: -9.483 bonds (distance) P-C4' energy: -9.959 flat angles C4'-P-C4' energy: -8.187 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: -4.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -189.723297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.723297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.723297 (E_RNA) where: Base-Base interactions energy: -127.971 where: short stacking energy: -46.814 Base-Backbone interact. energy: -0.790 local terms energy: -60.962364 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -14.796 flat angles P-C4'-P energy: -8.283 tors. eta vs tors. theta energy: -11.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -186.009197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.009197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.009197 (E_RNA) where: Base-Base interactions energy: -123.356 where: short stacking energy: -51.905 Base-Backbone interact. energy: -0.072 local terms energy: -62.581190 where: bonds (distance) C4'-P energy: -11.809 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -11.426 flat angles P-C4'-P energy: -9.943 tors. eta vs tors. theta energy: -16.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -182.253089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.253089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.253089 (E_RNA) where: Base-Base interactions energy: -124.031 where: short stacking energy: -51.036 Base-Backbone interact. energy: -0.002 local terms energy: -58.219973 where: bonds (distance) C4'-P energy: -10.399 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -11.603 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -17.342 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: 4, replica: 10 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -176.637075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.637075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.637075 (E_RNA) where: Base-Base interactions energy: -115.017 where: short stacking energy: -47.676 Base-Backbone interact. energy: -0.237 local terms energy: -61.383555 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -13.231 flat angles P-C4'-P energy: -9.886 tors. eta vs tors. theta energy: -12.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -175.894070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.894070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.894070 (E_RNA) where: Base-Base interactions energy: -118.198 where: short stacking energy: -48.818 Base-Backbone interact. energy: -0.007 local terms energy: -57.689201 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -13.093 flat angles C4'-P-C4' energy: -12.166 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -13.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -175.137791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.137791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.137791 (E_RNA) where: Base-Base interactions energy: -114.099 where: short stacking energy: -43.485 Base-Backbone interact. energy: -0.022 local terms energy: -61.016594 where: bonds (distance) C4'-P energy: -13.147 bonds (distance) P-C4' energy: -12.431 flat angles C4'-P-C4' energy: -11.721 flat angles P-C4'-P energy: -6.324 tors. eta vs tors. theta energy: -17.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -173.208446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.208446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.208446 (E_RNA) where: Base-Base interactions energy: -113.873 where: short stacking energy: -46.274 Base-Backbone interact. energy: -0.235 local terms energy: -59.100346 where: bonds (distance) C4'-P energy: -10.742 bonds (distance) P-C4' energy: -11.257 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -10.499 tors. eta vs tors. theta energy: -13.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -168.052847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.052847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.052847 (E_RNA) where: Base-Base interactions energy: -117.619 where: short stacking energy: -51.182 Base-Backbone interact. energy: -0.008 local terms energy: -50.425931 where: bonds (distance) C4'-P energy: -1.502 bonds (distance) P-C4' energy: -13.576 flat angles C4'-P-C4' energy: -11.996 flat angles P-C4'-P energy: -8.767 tors. eta vs tors. theta energy: -14.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -65.344741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.344741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.344741 (E_RNA) where: Base-Base interactions energy: -32.957 where: short stacking energy: -19.648 Base-Backbone interact. energy: -0.206 local terms energy: -32.182606 where: bonds (distance) C4'-P energy: -9.686 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -8.506 flat angles P-C4'-P energy: -0.629 tors. eta vs tors. theta energy: 0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -64.107761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.107761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.107761 (E_RNA) where: Base-Base interactions energy: -22.612 where: short stacking energy: -13.003 Base-Backbone interact. energy: -0.090 local terms energy: -41.405733 where: bonds (distance) C4'-P energy: -13.586 bonds (distance) P-C4' energy: -14.668 flat angles C4'-P-C4' energy: -9.093 flat angles P-C4'-P energy: -6.641 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: 88 Temperature: 0.900000 Total energy: -190.179246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.179246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.179246 (E_RNA) where: Base-Base interactions energy: -127.721 where: short stacking energy: -53.668 Base-Backbone interact. energy: -0.389 local terms energy: -62.069123 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -11.970 flat angles P-C4'-P energy: -6.161 tors. eta vs tors. theta energy: -18.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -189.319141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.319141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.319141 (E_RNA) where: Base-Base interactions energy: -125.053 where: short stacking energy: -55.221 Base-Backbone interact. energy: -0.094 local terms energy: -64.172487 where: bonds (distance) C4'-P energy: -14.642 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -12.975 flat angles P-C4'-P energy: -8.144 tors. eta vs tors. theta energy: -15.087 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: 5 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -177.157648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.157648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.157648 (E_RNA) where: Base-Base interactions energy: -121.359 where: short stacking energy: -43.293 Base-Backbone interact. energy: -0.076 local terms energy: -55.722491 where: bonds (distance) C4'-P energy: -9.476 bonds (distance) P-C4' energy: -8.641 flat angles C4'-P-C4' energy: -13.020 flat angles P-C4'-P energy: -9.169 tors. eta vs tors. theta energy: -15.416 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: 10 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -181.546062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.546062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.546062 (E_RNA) where: Base-Base interactions energy: -119.916 where: short stacking energy: -50.328 Base-Backbone interact. energy: -0.083 local terms energy: -61.546823 where: bonds (distance) C4'-P energy: -12.796 bonds (distance) P-C4' energy: -10.382 flat angles C4'-P-C4' energy: -14.222 flat angles P-C4'-P energy: -7.580 tors. eta vs tors. theta energy: -16.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -174.101489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.101489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.101489 (E_RNA) where: Base-Base interactions energy: -118.409 where: short stacking energy: -50.360 Base-Backbone interact. energy: 0.212 local terms energy: -55.904260 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -12.445 flat angles C4'-P-C4' energy: -12.883 flat angles P-C4'-P energy: -6.007 tors. eta vs tors. theta energy: -10.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -169.569701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.569701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.569701 (E_RNA) where: Base-Base interactions energy: -117.720 where: short stacking energy: -50.239 Base-Backbone interact. energy: -0.111 local terms energy: -51.738929 where: bonds (distance) C4'-P energy: -12.584 bonds (distance) P-C4' energy: -11.003 flat angles C4'-P-C4' energy: -8.715 flat angles P-C4'-P energy: -7.405 tors. eta vs tors. theta energy: -12.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -171.713593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.713593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.713593 (E_RNA) where: Base-Base interactions energy: -119.923 where: short stacking energy: -49.621 Base-Backbone interact. energy: -0.090 local terms energy: -51.700971 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -6.663 flat angles C4'-P-C4' energy: -14.996 flat angles P-C4'-P energy: -8.252 tors. eta vs tors. theta energy: -13.511 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: 6 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -162.420249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.420249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.420249 (E_RNA) where: Base-Base interactions energy: -114.133 where: short stacking energy: -45.081 Base-Backbone interact. energy: -0.008 local terms energy: -48.279127 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -10.697 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -5.955 tors. eta vs tors. theta energy: -10.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -74.124199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.124199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.124199 (E_RNA) where: Base-Base interactions energy: -22.042 where: short stacking energy: -19.419 Base-Backbone interact. energy: -0.001 local terms energy: -52.081901 where: bonds (distance) C4'-P energy: -12.467 bonds (distance) P-C4' energy: -13.805 flat angles C4'-P-C4' energy: -10.920 flat angles P-C4'-P energy: -10.505 tors. eta vs tors. theta energy: -4.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -59.250327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.250327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.250327 (E_RNA) where: Base-Base interactions energy: -21.884 where: short stacking energy: -18.876 Base-Backbone interact. energy: 0.015 local terms energy: -37.381192 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -11.960 flat angles C4'-P-C4' energy: -7.821 flat angles P-C4'-P energy: -6.408 tors. eta vs tors. theta energy: 0.618 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: 8 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -189.826273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.826273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.826273 (E_RNA) where: Base-Base interactions energy: -131.468 where: short stacking energy: -52.324 Base-Backbone interact. energy: -0.008 local terms energy: -58.349541 where: bonds (distance) C4'-P energy: -14.058 bonds (distance) P-C4' energy: -10.964 flat angles C4'-P-C4' energy: -11.002 flat angles P-C4'-P energy: -9.816 tors. eta vs tors. theta energy: -12.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -186.482665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.482665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.482665 (E_RNA) where: Base-Base interactions energy: -126.746 where: short stacking energy: -51.305 Base-Backbone interact. energy: -0.007 local terms energy: -59.729951 where: bonds (distance) C4'-P energy: -10.096 bonds (distance) P-C4' energy: -14.005 flat angles C4'-P-C4' energy: -13.696 flat angles P-C4'-P energy: -8.967 tors. eta vs tors. theta energy: -12.966 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: 3, replica: 5 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -180.824557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.824557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.824557 (E_RNA) where: Base-Base interactions energy: -125.233 where: short stacking energy: -53.571 Base-Backbone interact. energy: -0.065 local terms energy: -55.527112 where: bonds (distance) C4'-P energy: -11.335 bonds (distance) P-C4' energy: -12.230 flat angles C4'-P-C4' energy: -11.989 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -15.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -182.388805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.388805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.388805 (E_RNA) where: Base-Base interactions energy: -124.069 where: short stacking energy: -50.810 Base-Backbone interact. energy: -0.263 local terms energy: -58.057152 where: bonds (distance) C4'-P energy: -9.239 bonds (distance) P-C4' energy: -10.030 flat angles C4'-P-C4' energy: -13.461 flat angles P-C4'-P energy: -7.690 tors. eta vs tors. theta energy: -17.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -179.935011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.935011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.935011 (E_RNA) where: Base-Base interactions energy: -118.442 where: short stacking energy: -50.613 Base-Backbone interact. energy: -0.147 local terms energy: -61.346182 where: bonds (distance) C4'-P energy: -11.112 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -12.653 flat angles P-C4'-P energy: -8.444 tors. eta vs tors. theta energy: -15.891 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: 9 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -176.557642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.557642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.557642 (E_RNA) where: Base-Base interactions energy: -124.852 where: short stacking energy: -50.527 Base-Backbone interact. energy: -0.109 local terms energy: -51.596515 where: bonds (distance) C4'-P energy: -11.272 bonds (distance) P-C4' energy: -12.785 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: -14.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -158.714304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.714304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.714304 (E_RNA) where: Base-Base interactions energy: -108.669 where: short stacking energy: -50.573 Base-Backbone interact. energy: -0.048 local terms energy: -49.997286 where: bonds (distance) C4'-P energy: -7.923 bonds (distance) P-C4' energy: -9.914 flat angles C4'-P-C4' energy: -12.584 flat angles P-C4'-P energy: -5.431 tors. eta vs tors. theta energy: -14.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -163.660971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.660971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.660971 (E_RNA) where: Base-Base interactions energy: -117.696 where: short stacking energy: -46.501 Base-Backbone interact. energy: 0.132 local terms energy: -46.096855 where: bonds (distance) C4'-P energy: -6.527 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -12.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -71.305989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.305989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.305989 (E_RNA) where: Base-Base interactions energy: -34.056 where: short stacking energy: -33.020 Base-Backbone interact. energy: -0.153 local terms energy: -37.097200 where: bonds (distance) C4'-P energy: -8.569 bonds (distance) P-C4' energy: -12.202 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -7.876 tors. eta vs tors. theta energy: -3.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -62.194793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.194793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.194793 (E_RNA) where: Base-Base interactions energy: -25.135 where: short stacking energy: -22.203 Base-Backbone interact. energy: -0.014 local terms energy: -37.045900 where: bonds (distance) C4'-P energy: -12.315 bonds (distance) P-C4' energy: -4.767 flat angles C4'-P-C4' energy: -11.744 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -3.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -185.179510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.179510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.179510 (E_RNA) where: Base-Base interactions energy: -123.543 where: short stacking energy: -49.614 Base-Backbone interact. energy: -0.169 local terms energy: -61.467521 where: bonds (distance) C4'-P energy: -12.837 bonds (distance) P-C4' energy: -13.184 flat angles C4'-P-C4' energy: -11.308 flat angles P-C4'-P energy: -7.625 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: 2, replica: 3 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -188.606882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.606882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.606882 (E_RNA) where: Base-Base interactions energy: -134.427 where: short stacking energy: -50.490 Base-Backbone interact. energy: -0.438 local terms energy: -53.741586 where: bonds (distance) C4'-P energy: -5.646 bonds (distance) P-C4' energy: -13.813 flat angles C4'-P-C4' energy: -13.518 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -15.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -184.556026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.556026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.556026 (E_RNA) where: Base-Base interactions energy: -124.937 where: short stacking energy: -54.746 Base-Backbone interact. energy: -0.336 local terms energy: -59.282982 where: bonds (distance) C4'-P energy: -13.131 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -11.368 flat angles P-C4'-P energy: -5.489 tors. eta vs tors. theta energy: -16.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -175.667382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.667382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.667382 (E_RNA) where: Base-Base interactions energy: -122.566 where: short stacking energy: -51.806 Base-Backbone interact. energy: -0.000 local terms energy: -53.101400 where: bonds (distance) C4'-P energy: -8.602 bonds (distance) P-C4' energy: -8.462 flat angles C4'-P-C4' energy: -13.454 flat angles P-C4'-P energy: -9.897 tors. eta vs tors. theta energy: -12.687 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: 90 Temperature: 1.100000 Total energy: -165.425434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.425434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.425434 (E_RNA) where: Base-Base interactions energy: -119.802 where: short stacking energy: -48.147 Base-Backbone interact. energy: -0.602 local terms energy: -45.021615 where: bonds (distance) C4'-P energy: -10.627 bonds (distance) P-C4' energy: -8.973 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -6.374 tors. eta vs tors. theta energy: -12.617 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: 10 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -169.878251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.878251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.878251 (E_RNA) where: Base-Base interactions energy: -115.681 where: short stacking energy: -47.145 Base-Backbone interact. energy: -0.393 local terms energy: -53.804613 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -11.819 flat angles C4'-P-C4' energy: -13.646 flat angles P-C4'-P energy: -6.420 tors. eta vs tors. theta energy: -12.868 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: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -172.472828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.472828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.472828 (E_RNA) where: Base-Base interactions energy: -116.293 where: short stacking energy: -48.399 Base-Backbone interact. energy: -1.842 local terms energy: -54.337525 where: bonds (distance) C4'-P energy: -9.936 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -9.140 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -15.861 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: 2 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -166.693745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.693745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.693745 (E_RNA) where: Base-Base interactions energy: -115.299 where: short stacking energy: -42.483 Base-Backbone interact. energy: -0.576 local terms energy: -50.818743 where: bonds (distance) C4'-P energy: -12.187 bonds (distance) P-C4' energy: -10.311 flat angles C4'-P-C4' energy: -9.457 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -13.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -67.051877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.051877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.051877 (E_RNA) where: Base-Base interactions energy: -22.441 where: short stacking energy: -22.441 Base-Backbone interact. energy: 1.227 local terms energy: -45.837108 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -11.716 flat angles C4'-P-C4' energy: -7.275 flat angles P-C4'-P energy: -7.508 tors. eta vs tors. theta energy: -5.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -64.914743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.914743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.914743 (E_RNA) where: Base-Base interactions energy: -25.219 where: short stacking energy: -24.491 Base-Backbone interact. energy: -0.117 local terms energy: -39.578477 where: bonds (distance) C4'-P energy: -9.810 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -7.989 flat angles P-C4'-P energy: -3.227 tors. eta vs tors. theta energy: -5.185 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: 91 Temperature: 0.900000 Total energy: -194.420817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.420817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.420817 (E_RNA) where: Base-Base interactions energy: -129.445 where: short stacking energy: -52.799 Base-Backbone interact. energy: 0.369 local terms energy: -65.345609 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -13.383 flat angles C4'-P-C4' energy: -13.713 flat angles P-C4'-P energy: -10.702 tors. eta vs tors. theta energy: -15.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -183.196977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.196977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.196977 (E_RNA) where: Base-Base interactions energy: -119.770 where: short stacking energy: -50.400 Base-Backbone interact. energy: -0.517 local terms energy: -62.910447 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -11.917 flat angles P-C4'-P energy: -11.057 tors. eta vs tors. theta energy: -15.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -184.411786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.411786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.411786 (E_RNA) where: Base-Base interactions energy: -121.067 where: short stacking energy: -50.746 Base-Backbone interact. energy: -0.002 local terms energy: -63.342762 where: bonds (distance) C4'-P energy: -9.873 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -12.523 flat angles P-C4'-P energy: -10.326 tors. eta vs tors. theta energy: -15.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -177.515431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.515431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.515431 (E_RNA) where: Base-Base interactions energy: -121.723 where: short stacking energy: -53.855 Base-Backbone interact. energy: -0.001 local terms energy: -55.791198 where: bonds (distance) C4'-P energy: -7.674 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -12.171 flat angles P-C4'-P energy: -5.878 tors. eta vs tors. theta energy: -16.381 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: 5, replica: 4 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -177.669100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.669100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.669100 (E_RNA) where: Base-Base interactions energy: -125.461 where: short stacking energy: -48.235 Base-Backbone interact. energy: -0.037 local terms energy: -52.171447 where: bonds (distance) C4'-P energy: -10.052 bonds (distance) P-C4' energy: -11.704 flat angles C4'-P-C4' energy: -9.608 flat angles P-C4'-P energy: -6.789 tors. eta vs tors. theta energy: -14.020 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: 6, replica: 6 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -165.300545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.300545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.300545 (E_RNA) where: Base-Base interactions energy: -115.564 where: short stacking energy: -45.518 Base-Backbone interact. energy: -0.046 local terms energy: -49.690929 where: bonds (distance) C4'-P energy: -10.878 bonds (distance) P-C4' energy: -11.629 flat angles C4'-P-C4' energy: -9.757 flat angles P-C4'-P energy: -5.495 tors. eta vs tors. theta energy: -11.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -171.968860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.968860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.968860 (E_RNA) where: Base-Base interactions energy: -117.750 where: short stacking energy: -46.533 Base-Backbone interact. energy: -0.002 local terms energy: -54.215956 where: bonds (distance) C4'-P energy: -10.551 bonds (distance) P-C4' energy: -11.419 flat angles C4'-P-C4' energy: -11.376 flat angles P-C4'-P energy: -7.910 tors. eta vs tors. theta energy: -12.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -167.583268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.583268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.583268 (E_RNA) where: Base-Base interactions energy: -111.657 where: short stacking energy: -43.006 Base-Backbone interact. energy: -0.274 local terms energy: -55.652396 where: bonds (distance) C4'-P energy: -10.051 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -11.157 flat angles P-C4'-P energy: -7.695 tors. eta vs tors. theta energy: -12.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -71.105053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.105053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.105053 (E_RNA) where: Base-Base interactions energy: -23.374 where: short stacking energy: -14.716 Base-Backbone interact. energy: -0.164 local terms energy: -47.566311 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -15.351 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -7.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -68.452808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.452808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.452808 (E_RNA) where: Base-Base interactions energy: -22.645 where: short stacking energy: -22.645 Base-Backbone interact. energy: -0.059 local terms energy: -45.748942 where: bonds (distance) C4'-P energy: -14.008 bonds (distance) P-C4' energy: -12.752 flat angles C4'-P-C4' energy: -8.659 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -6.571 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: 5 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -192.648999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.648999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.648999 (E_RNA) where: Base-Base interactions energy: -130.684 where: short stacking energy: -54.815 Base-Backbone interact. energy: -0.081 local terms energy: -61.884335 where: bonds (distance) C4'-P energy: -11.632 bonds (distance) P-C4' energy: -12.596 flat angles C4'-P-C4' energy: -12.042 flat angles P-C4'-P energy: -10.723 tors. eta vs tors. theta energy: -14.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -187.262308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.262308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.262308 (E_RNA) where: Base-Base interactions energy: -122.185 where: short stacking energy: -47.550 Base-Backbone interact. energy: 0.155 local terms energy: -65.232481 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -13.502 flat angles C4'-P-C4' energy: -13.156 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: -17.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -186.105303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.105303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.105303 (E_RNA) where: Base-Base interactions energy: -124.721 where: short stacking energy: -47.399 Base-Backbone interact. energy: -0.575 local terms energy: -60.809442 where: bonds (distance) C4'-P energy: -12.100 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -14.951 flat angles P-C4'-P energy: -5.104 tors. eta vs tors. theta energy: -14.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -184.044511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.044511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.044511 (E_RNA) where: Base-Base interactions energy: -123.192 where: short stacking energy: -46.972 Base-Backbone interact. energy: -0.885 local terms energy: -59.967789 where: bonds (distance) C4'-P energy: -12.183 bonds (distance) P-C4' energy: -14.551 flat angles C4'-P-C4' energy: -10.586 flat angles P-C4'-P energy: -8.750 tors. eta vs tors. theta energy: -13.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -169.576701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.576701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.576701 (E_RNA) where: Base-Base interactions energy: -116.844 where: short stacking energy: -48.052 Base-Backbone interact. energy: -0.010 local terms energy: -52.723318 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -12.122 flat angles P-C4'-P energy: -5.473 tors. eta vs tors. theta energy: -9.830 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: 4 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -179.412072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.412072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.412072 (E_RNA) where: Base-Base interactions energy: -119.204 where: short stacking energy: -48.765 Base-Backbone interact. energy: 0.957 local terms energy: -61.164966 where: bonds (distance) C4'-P energy: -8.576 bonds (distance) P-C4' energy: -12.698 flat angles C4'-P-C4' energy: -15.517 flat angles P-C4'-P energy: -8.416 tors. eta vs tors. theta energy: -15.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -158.739788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.739788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.739788 (E_RNA) where: Base-Base interactions energy: -109.057 where: short stacking energy: -42.261 Base-Backbone interact. energy: 0.147 local terms energy: -49.829820 where: bonds (distance) C4'-P energy: -8.694 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -13.076 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -8.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -156.299264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.299264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.299264 (E_RNA) where: Base-Base interactions energy: -102.609 where: short stacking energy: -44.894 Base-Backbone interact. energy: -0.061 local terms energy: -53.629940 where: bonds (distance) C4'-P energy: -12.138 bonds (distance) P-C4' energy: -10.053 flat angles C4'-P-C4' energy: -11.689 flat angles P-C4'-P energy: -8.795 tors. eta vs tors. theta energy: -10.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -64.098248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.098248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.098248 (E_RNA) where: Base-Base interactions energy: -20.956 where: short stacking energy: -20.291 Base-Backbone interact. energy: -0.377 local terms energy: -42.764726 where: bonds (distance) C4'-P energy: -14.795 bonds (distance) P-C4' energy: -12.069 flat angles C4'-P-C4' energy: -12.139 flat angles P-C4'-P energy: -3.174 tors. eta vs tors. theta energy: -0.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -64.178049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.178049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.178049 (E_RNA) where: Base-Base interactions energy: -21.574 where: short stacking energy: -21.574 Base-Backbone interact. energy: -0.096 local terms energy: -42.508677 where: bonds (distance) C4'-P energy: -12.294 bonds (distance) P-C4' energy: -12.459 flat angles C4'-P-C4' energy: -8.412 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -4.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -193.226168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.226168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.226168 (E_RNA) where: Base-Base interactions energy: -130.755 where: short stacking energy: -48.743 Base-Backbone interact. energy: -0.170 local terms energy: -62.301061 where: bonds (distance) C4'-P energy: -14.012 bonds (distance) P-C4' energy: -12.672 flat angles C4'-P-C4' energy: -13.200 flat angles P-C4'-P energy: -5.558 tors. eta vs tors. theta energy: -16.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -182.881875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.881875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.881875 (E_RNA) where: Base-Base interactions energy: -125.829 where: short stacking energy: -55.683 Base-Backbone interact. energy: -0.132 local terms energy: -56.920499 where: bonds (distance) C4'-P energy: -10.936 bonds (distance) P-C4' energy: -11.138 flat angles C4'-P-C4' energy: -13.063 flat angles P-C4'-P energy: -6.646 tors. eta vs tors. theta energy: -15.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -181.276066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.276066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.276066 (E_RNA) where: Base-Base interactions energy: -124.428 where: short stacking energy: -54.030 Base-Backbone interact. energy: -0.003 local terms energy: -56.845111 where: bonds (distance) C4'-P energy: -11.041 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -12.830 flat angles P-C4'-P energy: -6.619 tors. eta vs tors. theta energy: -11.470 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: 4, replica: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -182.826178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.826178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.826178 (E_RNA) where: Base-Base interactions energy: -126.266 where: short stacking energy: -52.279 Base-Backbone interact. energy: -0.089 local terms energy: -56.470368 where: bonds (distance) C4'-P energy: -10.128 bonds (distance) P-C4' energy: -11.292 flat angles C4'-P-C4' energy: -13.425 flat angles P-C4'-P energy: -6.208 tors. eta vs tors. theta energy: -15.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -182.245716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.245716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.245716 (E_RNA) where: Base-Base interactions energy: -121.369 where: short stacking energy: -49.134 Base-Backbone interact. energy: -0.909 local terms energy: -59.967304 where: bonds (distance) C4'-P energy: -13.707 bonds (distance) P-C4' energy: -11.778 flat angles C4'-P-C4' energy: -10.407 flat angles P-C4'-P energy: -10.045 tors. eta vs tors. theta energy: -14.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -176.998674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.998674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.998674 (E_RNA) where: Base-Base interactions energy: -117.719 where: short stacking energy: -49.140 Base-Backbone interact. energy: -0.006 local terms energy: -59.273312 where: bonds (distance) C4'-P energy: -11.276 bonds (distance) P-C4' energy: -12.014 flat angles C4'-P-C4' energy: -11.467 flat angles P-C4'-P energy: -10.064 tors. eta vs tors. theta energy: -14.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -175.384852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.384852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.384852 (E_RNA) where: Base-Base interactions energy: -121.152 where: short stacking energy: -47.606 Base-Backbone interact. energy: -0.007 local terms energy: -54.226360 where: bonds (distance) C4'-P energy: -10.187 bonds (distance) P-C4' energy: -12.538 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -10.345 tors. eta vs tors. theta energy: -7.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -164.484530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.484530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.484530 (E_RNA) where: Base-Base interactions energy: -112.850 where: short stacking energy: -38.682 Base-Backbone interact. energy: -0.003 local terms energy: -51.631594 where: bonds (distance) C4'-P energy: -11.248 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -9.311 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -14.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -76.055448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.055448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.055448 (E_RNA) where: Base-Base interactions energy: -29.824 where: short stacking energy: -23.419 Base-Backbone interact. energy: -0.051 local terms energy: -46.180860 where: bonds (distance) C4'-P energy: -12.254 bonds (distance) P-C4' energy: -8.181 flat angles C4'-P-C4' energy: -13.758 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -5.641 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: 1 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -62.047018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.047018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.047018 (E_RNA) where: Base-Base interactions energy: -25.800 where: short stacking energy: -25.673 Base-Backbone interact. energy: -0.124 local terms energy: -36.123368 where: bonds (distance) C4'-P energy: -12.175 bonds (distance) P-C4' energy: -10.352 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -1.183 tors. eta vs tors. theta energy: -7.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -191.359715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.359715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.359715 (E_RNA) where: Base-Base interactions energy: -126.173 where: short stacking energy: -47.553 Base-Backbone interact. energy: -0.038 local terms energy: -65.148453 where: bonds (distance) C4'-P energy: -12.277 bonds (distance) P-C4' energy: -13.578 flat angles C4'-P-C4' energy: -13.705 flat angles P-C4'-P energy: -10.820 tors. eta vs tors. theta energy: -14.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -184.550890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.550890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.550890 (E_RNA) where: Base-Base interactions energy: -119.739 where: short stacking energy: -48.032 Base-Backbone interact. energy: -0.001 local terms energy: -64.810921 where: bonds (distance) C4'-P energy: -11.632 bonds (distance) P-C4' energy: -13.770 flat angles C4'-P-C4' energy: -13.676 flat angles P-C4'-P energy: -9.443 tors. eta vs tors. theta energy: -16.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -183.313638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.313638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.313638 (E_RNA) where: Base-Base interactions energy: -125.772 where: short stacking energy: -51.927 Base-Backbone interact. energy: -0.454 local terms energy: -57.087694 where: bonds (distance) C4'-P energy: -11.549 bonds (distance) P-C4' energy: -12.591 flat angles C4'-P-C4' energy: -12.732 flat angles P-C4'-P energy: -5.716 tors. eta vs tors. theta energy: -14.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -182.306321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.306321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.306321 (E_RNA) where: Base-Base interactions energy: -122.062 where: short stacking energy: -50.225 Base-Backbone interact. energy: -0.006 local terms energy: -60.238437 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -12.412 flat angles C4'-P-C4' energy: -9.129 flat angles P-C4'-P energy: -9.073 tors. eta vs tors. theta energy: -15.336 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: 5, replica: 6 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -175.192742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.192742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.192742 (E_RNA) where: Base-Base interactions energy: -117.663 where: short stacking energy: -45.267 Base-Backbone interact. energy: -0.101 local terms energy: -57.428727 where: bonds (distance) C4'-P energy: -13.088 bonds (distance) P-C4' energy: -12.566 flat angles C4'-P-C4' energy: -9.110 flat angles P-C4'-P energy: -7.959 tors. eta vs tors. theta energy: -14.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -176.594001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.594001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.594001 (E_RNA) where: Base-Base interactions energy: -116.432 where: short stacking energy: -47.508 Base-Backbone interact. energy: 0.024 local terms energy: -60.186703 where: bonds (distance) C4'-P energy: -10.373 bonds (distance) P-C4' energy: -13.466 flat angles C4'-P-C4' energy: -12.048 flat angles P-C4'-P energy: -8.368 tors. eta vs tors. theta energy: -15.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -171.859645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.859645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.859645 (E_RNA) where: Base-Base interactions energy: -116.296 where: short stacking energy: -47.880 Base-Backbone interact. energy: -0.001 local terms energy: -55.563128 where: bonds (distance) C4'-P energy: -12.439 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -8.714 flat angles P-C4'-P energy: -7.480 tors. eta vs tors. theta energy: -13.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -166.759549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.759549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.759549 (E_RNA) where: Base-Base interactions energy: -115.088 where: short stacking energy: -45.908 Base-Backbone interact. energy: 0.856 local terms energy: -52.527860 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -13.910 flat angles P-C4'-P energy: -7.825 tors. eta vs tors. theta energy: -12.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -71.200545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.200545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.200545 (E_RNA) where: Base-Base interactions energy: -18.049 where: short stacking energy: -18.049 Base-Backbone interact. energy: -0.040 local terms energy: -53.111630 where: bonds (distance) C4'-P energy: -13.065 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -10.417 flat angles P-C4'-P energy: -9.803 tors. eta vs tors. theta energy: -5.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -68.221750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.221750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.221750 (E_RNA) where: Base-Base interactions energy: -28.421 where: short stacking energy: -15.907 Base-Backbone interact. energy: -0.166 local terms energy: -39.634820 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -9.402 flat angles P-C4'-P energy: -8.369 tors. eta vs tors. theta energy: -3.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -190.708528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.708528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.708528 (E_RNA) where: Base-Base interactions energy: -130.827 where: short stacking energy: -51.095 Base-Backbone interact. energy: 0.337 local terms energy: -60.218499 where: bonds (distance) C4'-P energy: -12.573 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -12.573 flat angles P-C4'-P energy: -8.495 tors. eta vs tors. theta energy: -12.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -187.268673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.268673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.268673 (E_RNA) where: Base-Base interactions energy: -126.061 where: short stacking energy: -50.166 Base-Backbone interact. energy: -0.017 local terms energy: -61.190691 where: bonds (distance) C4'-P energy: -14.741 bonds (distance) P-C4' energy: -12.415 flat angles C4'-P-C4' energy: -11.306 flat angles P-C4'-P energy: -8.595 tors. eta vs tors. theta energy: -14.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -182.589479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.589479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.589479 (E_RNA) where: Base-Base interactions energy: -128.775 where: short stacking energy: -48.410 Base-Backbone interact. energy: -0.078 local terms energy: -53.736553 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -10.799 flat angles P-C4'-P energy: -6.257 tors. eta vs tors. theta energy: -10.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -185.720100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.720100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.720100 (E_RNA) where: Base-Base interactions energy: -127.881 where: short stacking energy: -52.174 Base-Backbone interact. energy: -0.596 local terms energy: -57.243851 where: bonds (distance) C4'-P energy: -11.520 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -12.668 flat angles P-C4'-P energy: -8.152 tors. eta vs tors. theta energy: -12.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -171.506082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.506082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.506082 (E_RNA) where: Base-Base interactions energy: -116.379 where: short stacking energy: -49.520 Base-Backbone interact. energy: -0.000 local terms energy: -55.127319 where: bonds (distance) C4'-P energy: -11.479 bonds (distance) P-C4' energy: -11.619 flat angles C4'-P-C4' energy: -12.647 flat angles P-C4'-P energy: -6.400 tors. eta vs tors. theta energy: -12.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -172.385608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.385608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.385608 (E_RNA) where: Base-Base interactions energy: -114.340 where: short stacking energy: -44.269 Base-Backbone interact. energy: -0.027 local terms energy: -58.018036 where: bonds (distance) C4'-P energy: -11.471 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -13.577 flat angles P-C4'-P energy: -7.223 tors. eta vs tors. theta energy: -11.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -168.739917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.739917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.739917 (E_RNA) where: Base-Base interactions energy: -111.662 where: short stacking energy: -45.726 Base-Backbone interact. energy: -0.087 local terms energy: -56.990772 where: bonds (distance) C4'-P energy: -9.352 bonds (distance) P-C4' energy: -10.610 flat angles C4'-P-C4' energy: -12.741 flat angles P-C4'-P energy: -9.555 tors. eta vs tors. theta energy: -14.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -169.807506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.807506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.807506 (E_RNA) where: Base-Base interactions energy: -112.773 where: short stacking energy: -47.213 Base-Backbone interact. energy: -0.132 local terms energy: -56.902006 where: bonds (distance) C4'-P energy: -11.027 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -13.172 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -15.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -67.534550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.534550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.534550 (E_RNA) where: Base-Base interactions energy: -28.117 where: short stacking energy: -28.012 Base-Backbone interact. energy: -0.233 local terms energy: -39.184332 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -8.843 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -5.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -65.454953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.454953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.454953 (E_RNA) where: Base-Base interactions energy: -22.684 where: short stacking energy: -19.601 Base-Backbone interact. energy: -0.415 local terms energy: -42.356468 where: bonds (distance) C4'-P energy: -9.193 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -10.738 flat angles P-C4'-P energy: -7.199 tors. eta vs tors. theta energy: -1.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -190.452266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.452266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.452266 (E_RNA) where: Base-Base interactions energy: -132.907 where: short stacking energy: -52.700 Base-Backbone interact. energy: -0.488 local terms energy: -57.057508 where: bonds (distance) C4'-P energy: -10.196 bonds (distance) P-C4' energy: -11.454 flat angles C4'-P-C4' energy: -12.704 flat angles P-C4'-P energy: -8.084 tors. eta vs tors. theta energy: -14.621 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: 9 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -185.892695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.892695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.892695 (E_RNA) where: Base-Base interactions energy: -117.350 where: short stacking energy: -47.239 Base-Backbone interact. energy: -0.634 local terms energy: -67.908049 where: bonds (distance) C4'-P energy: -11.933 bonds (distance) P-C4' energy: -15.584 flat angles C4'-P-C4' energy: -15.077 flat angles P-C4'-P energy: -9.179 tors. eta vs tors. theta energy: -16.134 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: 6 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -189.029176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.029176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.029176 (E_RNA) where: Base-Base interactions energy: -126.096 where: short stacking energy: -50.192 Base-Backbone interact. energy: -0.088 local terms energy: -62.845392 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -11.560 flat angles P-C4'-P energy: -8.658 tors. eta vs tors. theta energy: -17.031 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: 96 Temperature: 1.050000 Total energy: -179.973935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.973935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.973935 (E_RNA) where: Base-Base interactions energy: -118.916 where: short stacking energy: -48.875 Base-Backbone interact. energy: -0.001 local terms energy: -61.056871 where: bonds (distance) C4'-P energy: -13.896 bonds (distance) P-C4' energy: -10.390 flat angles C4'-P-C4' energy: -13.132 flat angles P-C4'-P energy: -10.002 tors. eta vs tors. theta energy: -13.636 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: 10 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -179.328516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.328516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.328516 (E_RNA) where: Base-Base interactions energy: -125.625 where: short stacking energy: -48.719 Base-Backbone interact. energy: -0.001 local terms energy: -53.702264 where: bonds (distance) C4'-P energy: -9.179 bonds (distance) P-C4' energy: -11.791 flat angles C4'-P-C4' energy: -13.317 flat angles P-C4'-P energy: -6.687 tors. eta vs tors. theta energy: -12.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -176.227337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.227337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.227337 (E_RNA) where: Base-Base interactions energy: -124.623 where: short stacking energy: -51.738 Base-Backbone interact. energy: -0.001 local terms energy: -51.603849 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -10.447 flat angles C4'-P-C4' energy: -11.686 flat angles P-C4'-P energy: -6.264 tors. eta vs tors. theta energy: -17.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -179.121220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.121220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.121220 (E_RNA) where: Base-Base interactions energy: -126.050 where: short stacking energy: -48.705 Base-Backbone interact. energy: -0.031 local terms energy: -53.039957 where: bonds (distance) C4'-P energy: -11.272 bonds (distance) P-C4' energy: -9.500 flat angles C4'-P-C4' energy: -8.139 flat angles P-C4'-P energy: -8.906 tors. eta vs tors. theta energy: -15.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -172.459346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.459346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.459346 (E_RNA) where: Base-Base interactions energy: -120.215 where: short stacking energy: -49.918 Base-Backbone interact. energy: -0.151 local terms energy: -52.092488 where: bonds (distance) C4'-P energy: -14.472 bonds (distance) P-C4' energy: -11.919 flat angles C4'-P-C4' energy: -9.517 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: -13.528 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: 1 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -69.451842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.451842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.451842 (E_RNA) where: Base-Base interactions energy: -24.094 where: short stacking energy: -21.195 Base-Backbone interact. energy: 0.417 local terms energy: -45.774431 where: bonds (distance) C4'-P energy: -9.537 bonds (distance) P-C4' energy: -11.590 flat angles C4'-P-C4' energy: -13.721 flat angles P-C4'-P energy: -8.906 tors. eta vs tors. theta energy: -2.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -76.963197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.963197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.963197 (E_RNA) where: Base-Base interactions energy: -44.794 where: short stacking energy: -25.264 Base-Backbone interact. energy: -0.208 local terms energy: -31.960744 where: bonds (distance) C4'-P energy: -7.252 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -6.519 tors. eta vs tors. theta energy: -0.884 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: 1, replica: 3 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -193.523161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.523161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.523161 (E_RNA) where: Base-Base interactions energy: -135.002 where: short stacking energy: -49.090 Base-Backbone interact. energy: -0.073 local terms energy: -58.448988 where: bonds (distance) C4'-P energy: -12.310 bonds (distance) P-C4' energy: -14.354 flat angles C4'-P-C4' energy: -12.436 flat angles P-C4'-P energy: -3.886 tors. eta vs tors. theta energy: -15.462 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: 6 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -188.159964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.159964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.159964 (E_RNA) where: Base-Base interactions energy: -135.124 where: short stacking energy: -49.035 Base-Backbone interact. energy: -0.069 local terms energy: -52.967423 where: bonds (distance) C4'-P energy: -13.504 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -12.498 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -12.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -185.375981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.375981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.375981 (E_RNA) where: Base-Base interactions energy: -121.983 where: short stacking energy: -48.846 Base-Backbone interact. energy: -0.157 local terms energy: -63.236404 where: bonds (distance) C4'-P energy: -10.331 bonds (distance) P-C4' energy: -11.055 flat angles C4'-P-C4' energy: -14.046 flat angles P-C4'-P energy: -11.129 tors. eta vs tors. theta energy: -16.674 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: 97 Temperature: 1.050000 Total energy: -185.534964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.534964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.534964 (E_RNA) where: Base-Base interactions energy: -123.746 where: short stacking energy: -55.655 Base-Backbone interact. energy: -0.158 local terms energy: -61.631109 where: bonds (distance) C4'-P energy: -10.022 bonds (distance) P-C4' energy: -10.404 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -11.461 tors. eta vs tors. theta energy: -16.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -183.480940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.480940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.480940 (E_RNA) where: Base-Base interactions energy: -124.656 where: short stacking energy: -48.972 Base-Backbone interact. energy: -0.285 local terms energy: -58.540443 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -15.137 flat angles C4'-P-C4' energy: -8.434 flat angles P-C4'-P energy: -11.369 tors. eta vs tors. theta energy: -16.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -167.798504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.798504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.798504 (E_RNA) where: Base-Base interactions energy: -117.261 where: short stacking energy: -46.405 Base-Backbone interact. energy: -0.009 local terms energy: -50.527880 where: bonds (distance) C4'-P energy: -11.429 bonds (distance) P-C4' energy: -9.217 flat angles C4'-P-C4' energy: -13.439 flat angles P-C4'-P energy: -6.812 tors. eta vs tors. theta energy: -9.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -171.593193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.593193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.593193 (E_RNA) where: Base-Base interactions energy: -114.127 where: short stacking energy: -42.510 Base-Backbone interact. energy: -0.137 local terms energy: -57.329747 where: bonds (distance) C4'-P energy: -10.378 bonds (distance) P-C4' energy: -13.597 flat angles C4'-P-C4' energy: -9.861 flat angles P-C4'-P energy: -10.318 tors. eta vs tors. theta energy: -13.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -163.406087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.406087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.406087 (E_RNA) where: Base-Base interactions energy: -114.616 where: short stacking energy: -43.679 Base-Backbone interact. energy: -0.087 local terms energy: -48.702951 where: bonds (distance) C4'-P energy: -11.089 bonds (distance) P-C4' energy: -8.561 flat angles C4'-P-C4' energy: -12.948 flat angles P-C4'-P energy: -7.925 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: 9, replica: 1 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -69.423328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.423328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.423328 (E_RNA) where: Base-Base interactions energy: -23.258 where: short stacking energy: -23.258 Base-Backbone interact. energy: -0.018 local terms energy: -46.147494 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -11.073 flat angles C4'-P-C4' energy: -11.348 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -6.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -97.843462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.843462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.843462 (E_RNA) where: Base-Base interactions energy: -58.861 where: short stacking energy: -23.983 Base-Backbone interact. energy: -0.060 local terms energy: -38.921792 where: bonds (distance) C4'-P energy: -9.831 bonds (distance) P-C4' energy: -11.314 flat angles C4'-P-C4' energy: -13.923 flat angles P-C4'-P energy: -0.349 tors. eta vs tors. theta energy: -3.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -193.375456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.375456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.375456 (E_RNA) where: Base-Base interactions energy: -135.371 where: short stacking energy: -52.994 Base-Backbone interact. energy: -0.688 local terms energy: -57.316060 where: bonds (distance) C4'-P energy: -13.490 bonds (distance) P-C4' energy: -8.608 flat angles C4'-P-C4' energy: -14.057 flat angles P-C4'-P energy: -6.620 tors. eta vs tors. theta energy: -14.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -191.054429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.054429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.054429 (E_RNA) where: Base-Base interactions energy: -132.325 where: short stacking energy: -54.206 Base-Backbone interact. energy: 0.297 local terms energy: -59.026393 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -9.172 flat angles C4'-P-C4' energy: -11.377 flat angles P-C4'-P energy: -10.709 tors. eta vs tors. theta energy: -16.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -183.988411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.988411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.988411 (E_RNA) where: Base-Base interactions energy: -125.095 where: short stacking energy: -49.832 Base-Backbone interact. energy: -0.100 local terms energy: -58.793101 where: bonds (distance) C4'-P energy: -12.721 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -9.982 flat angles P-C4'-P energy: -6.578 tors. eta vs tors. theta energy: -15.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -178.133745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.133745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.133745 (E_RNA) where: Base-Base interactions energy: -119.091 where: short stacking energy: -50.505 Base-Backbone interact. energy: -0.002 local terms energy: -59.041650 where: bonds (distance) C4'-P energy: -11.603 bonds (distance) P-C4' energy: -9.501 flat angles C4'-P-C4' energy: -12.336 flat angles P-C4'-P energy: -7.981 tors. eta vs tors. theta energy: -17.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -179.108100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.108100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.108100 (E_RNA) where: Base-Base interactions energy: -129.520 where: short stacking energy: -54.621 Base-Backbone interact. energy: -0.001 local terms energy: -49.587309 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -11.873 flat angles C4'-P-C4' energy: -11.279 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -13.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -169.040830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.040830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.040830 (E_RNA) where: Base-Base interactions energy: -116.005 where: short stacking energy: -45.506 Base-Backbone interact. energy: -0.032 local terms energy: -53.003449 where: bonds (distance) C4'-P energy: -10.538 bonds (distance) P-C4' energy: -10.886 flat angles C4'-P-C4' energy: -12.606 flat angles P-C4'-P energy: -6.984 tors. eta vs tors. theta energy: -11.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -170.785015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.785015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.785015 (E_RNA) where: Base-Base interactions energy: -112.783 where: short stacking energy: -48.424 Base-Backbone interact. energy: -0.002 local terms energy: -57.999643 where: bonds (distance) C4'-P energy: -10.948 bonds (distance) P-C4' energy: -10.964 flat angles C4'-P-C4' energy: -11.906 flat angles P-C4'-P energy: -8.679 tors. eta vs tors. theta energy: -15.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -181.694884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.694884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.694884 (E_RNA) where: Base-Base interactions energy: -124.211 where: short stacking energy: -55.502 Base-Backbone interact. energy: -0.004 local terms energy: -57.479856 where: bonds (distance) C4'-P energy: -11.715 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -8.312 flat angles P-C4'-P energy: -7.882 tors. eta vs tors. theta energy: -14.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -71.469505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.469505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.469505 (E_RNA) where: Base-Base interactions energy: -29.236 where: short stacking energy: -15.850 Base-Backbone interact. energy: -0.037 local terms energy: -42.197049 where: bonds (distance) C4'-P energy: -10.166 bonds (distance) P-C4' energy: -13.116 flat angles C4'-P-C4' energy: -11.463 flat angles P-C4'-P energy: -7.280 tors. eta vs tors. theta energy: -0.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -62.361121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.361121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.361121 (E_RNA) where: Base-Base interactions energy: -27.055 where: short stacking energy: -19.051 Base-Backbone interact. energy: 3.235 local terms energy: -38.541006 where: bonds (distance) C4'-P energy: -9.708 bonds (distance) P-C4' energy: -10.908 flat angles C4'-P-C4' energy: -10.169 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -2.139 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: 3 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -194.597346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.597346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.597346 (E_RNA) where: Base-Base interactions energy: -137.479 where: short stacking energy: -46.461 Base-Backbone interact. energy: -0.130 local terms energy: -56.988792 where: bonds (distance) C4'-P energy: -10.585 bonds (distance) P-C4' energy: -11.933 flat angles C4'-P-C4' energy: -13.234 flat angles P-C4'-P energy: -5.715 tors. eta vs tors. theta energy: -15.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -191.750770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.750770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.750770 (E_RNA) where: Base-Base interactions energy: -128.023 where: short stacking energy: -50.816 Base-Backbone interact. energy: -0.569 local terms energy: -63.159409 where: bonds (distance) C4'-P energy: -13.139 bonds (distance) P-C4' energy: -12.947 flat angles C4'-P-C4' energy: -11.048 flat angles P-C4'-P energy: -9.528 tors. eta vs tors. theta energy: -16.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -184.433528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.433528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.433528 (E_RNA) where: Base-Base interactions energy: -124.878 where: short stacking energy: -44.717 Base-Backbone interact. energy: -1.594 local terms energy: -57.961705 where: bonds (distance) C4'-P energy: -13.748 bonds (distance) P-C4' energy: -12.313 flat angles C4'-P-C4' energy: -13.748 flat angles P-C4'-P energy: -6.545 tors. eta vs tors. theta energy: -11.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -181.557667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.557667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.557667 (E_RNA) where: Base-Base interactions energy: -122.258 where: short stacking energy: -48.778 Base-Backbone interact. energy: -0.102 local terms energy: -59.198075 where: bonds (distance) C4'-P energy: -10.825 bonds (distance) P-C4' energy: -12.500 flat angles C4'-P-C4' energy: -12.268 flat angles P-C4'-P energy: -7.572 tors. eta vs tors. theta energy: -16.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -173.681895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.681895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.681895 (E_RNA) where: Base-Base interactions energy: -116.321 where: short stacking energy: -42.242 Base-Backbone interact. energy: -0.295 local terms energy: -57.066478 where: bonds (distance) C4'-P energy: -9.703 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -12.301 flat angles P-C4'-P energy: -7.004 tors. eta vs tors. theta energy: -13.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -171.036742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.036742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.036742 (E_RNA) where: Base-Base interactions energy: -117.115 where: short stacking energy: -47.171 Base-Backbone interact. energy: 2.222 local terms energy: -56.143374 where: bonds (distance) C4'-P energy: -12.788 bonds (distance) P-C4' energy: -10.425 flat angles C4'-P-C4' energy: -12.916 flat angles P-C4'-P energy: -7.132 tors. eta vs tors. theta energy: -12.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -170.227495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.227495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.227495 (E_RNA) where: Base-Base interactions energy: -114.488 where: short stacking energy: -47.734 Base-Backbone interact. energy: -0.077 local terms energy: -55.662783 where: bonds (distance) C4'-P energy: -12.625 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -11.722 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -13.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -166.643174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.643174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.643174 (E_RNA) where: Base-Base interactions energy: -112.381 where: short stacking energy: -45.437 Base-Backbone interact. energy: -0.249 local terms energy: -54.013235 where: bonds (distance) C4'-P energy: -13.193 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -9.956 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: -12.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -64.860481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.860481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.860481 (E_RNA) where: Base-Base interactions energy: -22.945 where: short stacking energy: -12.694 Base-Backbone interact. energy: 0.357 local terms energy: -42.273027 where: bonds (distance) C4'-P energy: -8.880 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -11.279 flat angles P-C4'-P energy: -8.966 tors. eta vs tors. theta energy: -0.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -66.666531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.666531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.666531 (E_RNA) where: Base-Base interactions energy: -33.978 where: short stacking energy: -14.255 Base-Backbone interact. energy: -0.257 local terms energy: -32.432456 where: bonds (distance) C4'-P energy: -9.029 bonds (distance) P-C4' energy: -9.080 flat angles C4'-P-C4' energy: -11.554 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: 0.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -184.745793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.745793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.745793 (E_RNA) where: Base-Base interactions energy: -120.507 where: short stacking energy: -49.046 Base-Backbone interact. energy: -0.002 local terms energy: -64.236777 where: bonds (distance) C4'-P energy: -13.879 bonds (distance) P-C4' energy: -13.597 flat angles C4'-P-C4' energy: -13.463 flat angles P-C4'-P energy: -8.707 tors. eta vs tors. theta energy: -14.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -181.906828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.906828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.906828 (E_RNA) where: Base-Base interactions energy: -127.851 where: short stacking energy: -49.334 Base-Backbone interact. energy: -0.038 local terms energy: -54.018521 where: bonds (distance) C4'-P energy: -11.509 bonds (distance) P-C4' energy: -9.627 flat angles C4'-P-C4' energy: -13.668 flat angles P-C4'-P energy: -6.658 tors. eta vs tors. theta energy: -12.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -181.820667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.820667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.820667 (E_RNA) where: Base-Base interactions energy: -122.586 where: short stacking energy: -48.426 Base-Backbone interact. energy: -0.045 local terms energy: -59.189240 where: bonds (distance) C4'-P energy: -12.605 bonds (distance) P-C4' energy: -11.966 flat angles C4'-P-C4' energy: -13.200 flat angles P-C4'-P energy: -7.343 tors. eta vs tors. theta energy: -14.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -184.312920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.312920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.312920 (E_RNA) where: Base-Base interactions energy: -125.733 where: short stacking energy: -50.833 Base-Backbone interact. energy: -0.001 local terms energy: -58.579621 where: bonds (distance) C4'-P energy: -9.980 bonds (distance) P-C4' energy: -10.582 flat angles C4'-P-C4' energy: -15.930 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -13.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -175.786172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.786172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.786172 (E_RNA) where: Base-Base interactions energy: -120.293 where: short stacking energy: -50.661 Base-Backbone interact. energy: -0.404 local terms energy: -55.088859 where: bonds (distance) C4'-P energy: -11.417 bonds (distance) P-C4' energy: -5.893 flat angles C4'-P-C4' energy: -12.839 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -15.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -176.247649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.247649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.247649 (E_RNA) where: Base-Base interactions energy: -114.995 where: short stacking energy: -42.420 Base-Backbone interact. energy: -0.443 local terms energy: -60.809835 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -14.121 flat angles C4'-P-C4' energy: -11.136 flat angles P-C4'-P energy: -7.689 tors. eta vs tors. theta energy: -14.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -169.875741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.875741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.875741 (E_RNA) where: Base-Base interactions energy: -116.395 where: short stacking energy: -46.705 Base-Backbone interact. energy: -0.007 local terms energy: -53.473298 where: bonds (distance) C4'-P energy: -9.988 bonds (distance) P-C4' energy: -14.812 flat angles C4'-P-C4' energy: -11.391 flat angles P-C4'-P energy: -6.810 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: 8, replica: 8 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -145.902266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.902266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.902266 (E_RNA) where: Base-Base interactions energy: -107.030 where: short stacking energy: -40.089 Base-Backbone interact. energy: -0.134 local terms energy: -38.738099 where: bonds (distance) C4'-P energy: -8.618 bonds (distance) P-C4' energy: -12.538 flat angles C4'-P-C4' energy: -8.431 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -4.358 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: 7 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -63.424413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.424413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.424413 (E_RNA) where: Base-Base interactions energy: -29.145 where: short stacking energy: -28.885 Base-Backbone interact. energy: -0.072 local terms energy: -34.208080 where: bonds (distance) C4'-P energy: -11.930 bonds (distance) P-C4' energy: -9.434 flat angles C4'-P-C4' energy: -5.055 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -2.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -59.224429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.224429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.224429 (E_RNA) where: Base-Base interactions energy: -24.486 where: short stacking energy: -19.874 Base-Backbone interact. energy: -0.003 local terms energy: -34.735279 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -8.814 flat angles C4'-P-C4' energy: -10.882 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -194.951687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.951687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.951687 (E_RNA) where: Base-Base interactions energy: -124.503 where: short stacking energy: -52.733 Base-Backbone interact. energy: -0.735 local terms energy: -69.713802 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -13.425 flat angles P-C4'-P energy: -10.056 tors. eta vs tors. theta energy: -17.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -190.520637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.520637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.520637 (E_RNA) where: Base-Base interactions energy: -135.208 where: short stacking energy: -47.218 Base-Backbone interact. energy: -0.084 local terms energy: -55.228423 where: bonds (distance) C4'-P energy: -11.358 bonds (distance) P-C4' energy: -13.212 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -13.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -175.193875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.193875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.193875 (E_RNA) where: Base-Base interactions energy: -120.212 where: short stacking energy: -48.757 Base-Backbone interact. energy: -0.088 local terms energy: -54.894395 where: bonds (distance) C4'-P energy: -13.955 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -11.810 flat angles P-C4'-P energy: -6.470 tors. eta vs tors. theta energy: -13.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -179.848080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.848080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.848080 (E_RNA) where: Base-Base interactions energy: -129.723 where: short stacking energy: -49.749 Base-Backbone interact. energy: -0.005 local terms energy: -50.119854 where: bonds (distance) C4'-P energy: -9.333 bonds (distance) P-C4' energy: -10.404 flat angles C4'-P-C4' energy: -9.889 flat angles P-C4'-P energy: -5.629 tors. eta vs tors. theta energy: -14.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -177.145766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.145766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.145766 (E_RNA) where: Base-Base interactions energy: -119.952 where: short stacking energy: -49.003 Base-Backbone interact. energy: -0.539 local terms energy: -56.655234 where: bonds (distance) C4'-P energy: -11.065 bonds (distance) P-C4' energy: -11.455 flat angles C4'-P-C4' energy: -11.361 flat angles P-C4'-P energy: -9.855 tors. eta vs tors. theta energy: -12.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -162.026437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.026437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.026437 (E_RNA) where: Base-Base interactions energy: -101.101 where: short stacking energy: -44.777 Base-Backbone interact. energy: -0.025 local terms energy: -60.899998 where: bonds (distance) C4'-P energy: -11.227 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -13.068 flat angles P-C4'-P energy: -8.130 tors. eta vs tors. theta energy: -13.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -169.706188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.706188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.706188 (E_RNA) where: Base-Base interactions energy: -119.993 where: short stacking energy: -53.635 Base-Backbone interact. energy: -0.092 local terms energy: -49.621347 where: bonds (distance) C4'-P energy: -6.225 bonds (distance) P-C4' energy: -9.528 flat angles C4'-P-C4' energy: -14.149 flat angles P-C4'-P energy: -6.702 tors. eta vs tors. theta energy: -13.017 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: 8 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -154.911746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.911746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.911746 (E_RNA) where: Base-Base interactions energy: -101.408 where: short stacking energy: -39.902 Base-Backbone interact. energy: -0.033 local terms energy: -53.471248 where: bonds (distance) C4'-P energy: -10.323 bonds (distance) P-C4' energy: -11.859 flat angles C4'-P-C4' energy: -14.608 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -12.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -69.956953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.956953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.956953 (E_RNA) where: Base-Base interactions energy: -29.864 where: short stacking energy: -29.864 Base-Backbone interact. energy: -0.006 local terms energy: -40.086434 where: bonds (distance) C4'-P energy: -8.592 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -9.294 flat angles P-C4'-P energy: -5.834 tors. eta vs tors. theta energy: -4.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -76.914930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.914930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.914930 (E_RNA) where: Base-Base interactions energy: -28.912 where: short stacking energy: -28.912 Base-Backbone interact. energy: -0.000 local terms energy: -48.002817 where: bonds (distance) C4'-P energy: -10.195 bonds (distance) P-C4' energy: -12.251 flat angles C4'-P-C4' energy: -8.204 flat angles P-C4'-P energy: -7.901 tors. eta vs tors. theta energy: -9.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -185.858775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.858775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.858775 (E_RNA) where: Base-Base interactions energy: -127.196 where: short stacking energy: -51.223 Base-Backbone interact. energy: -0.008 local terms energy: -58.655566 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -10.964 flat angles C4'-P-C4' energy: -11.918 flat angles P-C4'-P energy: -8.815 tors. eta vs tors. theta energy: -14.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -190.344149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.344149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.344149 (E_RNA) where: Base-Base interactions energy: -124.466 where: short stacking energy: -47.169 Base-Backbone interact. energy: -1.054 local terms energy: -64.824089 where: bonds (distance) C4'-P energy: -11.504 bonds (distance) P-C4' energy: -12.735 flat angles C4'-P-C4' energy: -13.909 flat angles P-C4'-P energy: -9.925 tors. eta vs tors. theta energy: -16.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -189.272146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.272146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.272146 (E_RNA) where: Base-Base interactions energy: -130.611 where: short stacking energy: -54.001 Base-Backbone interact. energy: -0.002 local terms energy: -58.659258 where: bonds (distance) C4'-P energy: -11.247 bonds (distance) P-C4' energy: -12.588 flat angles C4'-P-C4' energy: -8.810 flat angles P-C4'-P energy: -10.173 tors. eta vs tors. theta energy: -15.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -179.379868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.379868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.379868 (E_RNA) where: Base-Base interactions energy: -120.034 where: short stacking energy: -46.027 Base-Backbone interact. energy: -0.003 local terms energy: -59.342189 where: bonds (distance) C4'-P energy: -12.112 bonds (distance) P-C4' energy: -12.003 flat angles C4'-P-C4' energy: -12.675 flat angles P-C4'-P energy: -6.055 tors. eta vs tors. theta energy: -16.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -175.951618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.951618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.951618 (E_RNA) where: Base-Base interactions energy: -116.363 where: short stacking energy: -46.432 Base-Backbone interact. energy: -0.581 local terms energy: -59.007811 where: bonds (distance) C4'-P energy: -8.771 bonds (distance) P-C4' energy: -14.046 flat angles C4'-P-C4' energy: -14.690 flat angles P-C4'-P energy: -6.733 tors. eta vs tors. theta energy: -14.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -172.649851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.649851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.649851 (E_RNA) where: Base-Base interactions energy: -118.351 where: short stacking energy: -53.794 Base-Backbone interact. energy: -0.001 local terms energy: -54.298204 where: bonds (distance) C4'-P energy: -9.509 bonds (distance) P-C4' energy: -11.422 flat angles C4'-P-C4' energy: -9.996 flat angles P-C4'-P energy: -6.215 tors. eta vs tors. theta energy: -17.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -171.966796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.966796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.966796 (E_RNA) where: Base-Base interactions energy: -117.360 where: short stacking energy: -46.770 Base-Backbone interact. energy: -1.181 local terms energy: -53.425706 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -11.877 flat angles P-C4'-P energy: -5.910 tors. eta vs tors. theta energy: -14.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -153.378326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.378326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.378326 (E_RNA) where: Base-Base interactions energy: -107.789 where: short stacking energy: -42.876 Base-Backbone interact. energy: -0.762 local terms energy: -44.826898 where: bonds (distance) C4'-P energy: -13.085 bonds (distance) P-C4' energy: -7.377 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -11.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -72.622152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.622152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.622152 (E_RNA) where: Base-Base interactions energy: -35.094 where: short stacking energy: -16.313 Base-Backbone interact. energy: -0.002 local terms energy: -37.526195 where: bonds (distance) C4'-P energy: -9.412 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -9.490 flat angles P-C4'-P energy: -2.733 tors. eta vs tors. theta energy: -2.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -69.038667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.038667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.038667 (E_RNA) where: Base-Base interactions energy: -30.512 where: short stacking energy: -19.442 Base-Backbone interact. energy: 3.470 local terms energy: -41.997136 where: bonds (distance) C4'-P energy: -13.031 bonds (distance) P-C4' energy: -11.524 flat angles C4'-P-C4' energy: -10.130 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -189.897023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.897023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.897023 (E_RNA) where: Base-Base interactions energy: -127.989 where: short stacking energy: -50.270 Base-Backbone interact. energy: -0.380 local terms energy: -61.527998 where: bonds (distance) C4'-P energy: -11.081 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -14.041 flat angles P-C4'-P energy: -11.937 tors. eta vs tors. theta energy: -11.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -185.051803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.051803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.051803 (E_RNA) where: Base-Base interactions energy: -128.666 where: short stacking energy: -48.898 Base-Backbone interact. energy: -0.079 local terms energy: -56.306247 where: bonds (distance) C4'-P energy: -8.506 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -11.427 flat angles P-C4'-P energy: -8.073 tors. eta vs tors. theta energy: -15.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -185.278164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.278164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.278164 (E_RNA) where: Base-Base interactions energy: -126.647 where: short stacking energy: -51.944 Base-Backbone interact. energy: -0.121 local terms energy: -58.509849 where: bonds (distance) C4'-P energy: -10.584 bonds (distance) P-C4' energy: -10.524 flat angles C4'-P-C4' energy: -12.274 flat angles P-C4'-P energy: -7.759 tors. eta vs tors. theta energy: -17.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -181.630707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.630707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.630707 (E_RNA) where: Base-Base interactions energy: -121.726 where: short stacking energy: -47.029 Base-Backbone interact. energy: 0.146 local terms energy: -60.050063 where: bonds (distance) C4'-P energy: -10.738 bonds (distance) P-C4' energy: -10.884 flat angles C4'-P-C4' energy: -12.634 flat angles P-C4'-P energy: -9.807 tors. eta vs tors. theta energy: -15.987 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: 4 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -176.172488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.172488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.172488 (E_RNA) where: Base-Base interactions energy: -123.786 where: short stacking energy: -52.879 Base-Backbone interact. energy: -0.000 local terms energy: -52.386024 where: bonds (distance) C4'-P energy: -10.809 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -10.235 flat angles P-C4'-P energy: -5.583 tors. eta vs tors. theta energy: -11.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -175.648325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.648325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.648325 (E_RNA) where: Base-Base interactions energy: -121.438 where: short stacking energy: -46.450 Base-Backbone interact. energy: -0.099 local terms energy: -54.110673 where: bonds (distance) C4'-P energy: -8.631 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -13.893 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -13.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -178.529284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.529284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.529284 (E_RNA) where: Base-Base interactions energy: -122.206 where: short stacking energy: -49.982 Base-Backbone interact. energy: -0.014 local terms energy: -56.309743 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -8.526 flat angles C4'-P-C4' energy: -11.973 flat angles P-C4'-P energy: -8.647 tors. eta vs tors. theta energy: -13.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -162.471344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.471344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.471344 (E_RNA) where: Base-Base interactions energy: -110.060 where: short stacking energy: -41.768 Base-Backbone interact. energy: -0.078 local terms energy: -52.332692 where: bonds (distance) C4'-P energy: -9.827 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -10.762 flat angles P-C4'-P energy: -7.218 tors. eta vs tors. theta energy: -11.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -67.353734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.353734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.353734 (E_RNA) where: Base-Base interactions energy: -37.695 where: short stacking energy: -14.670 Base-Backbone interact. energy: 1.726 local terms energy: -31.384306 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -12.840 flat angles C4'-P-C4' energy: -9.906 flat angles P-C4'-P energy: -2.724 tors. eta vs tors. theta energy: -0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -55.973589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.973589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.973589 (E_RNA) where: Base-Base interactions energy: -18.758 where: short stacking energy: -10.544 Base-Backbone interact. energy: -0.133 local terms energy: -37.081885 where: bonds (distance) C4'-P energy: -8.543 bonds (distance) P-C4' energy: -11.250 flat angles C4'-P-C4' energy: -8.875 flat angles P-C4'-P energy: -2.615 tors. eta vs tors. theta energy: -5.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -187.599655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.599655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.599655 (E_RNA) where: Base-Base interactions energy: -121.002 where: short stacking energy: -52.552 Base-Backbone interact. energy: -0.641 local terms energy: -65.956747 where: bonds (distance) C4'-P energy: -14.405 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -10.406 flat angles P-C4'-P energy: -9.538 tors. eta vs tors. theta energy: -18.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -193.278979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.278979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.278979 (E_RNA) where: Base-Base interactions energy: -136.884 where: short stacking energy: -46.306 Base-Backbone interact. energy: -0.167 local terms energy: -56.227958 where: bonds (distance) C4'-P energy: -11.397 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -8.989 flat angles P-C4'-P energy: -8.659 tors. eta vs tors. theta energy: -14.774 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: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -178.017291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.017291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.017291 (E_RNA) where: Base-Base interactions energy: -116.768 where: short stacking energy: -50.191 Base-Backbone interact. energy: -0.096 local terms energy: -61.153712 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -13.076 flat angles C4'-P-C4' energy: -12.018 flat angles P-C4'-P energy: -10.684 tors. eta vs tors. theta energy: -13.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -179.262735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.262735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.262735 (E_RNA) where: Base-Base interactions energy: -121.813 where: short stacking energy: -49.819 Base-Backbone interact. energy: -0.235 local terms energy: -57.214772 where: bonds (distance) C4'-P energy: -11.194 bonds (distance) P-C4' energy: -12.208 flat angles C4'-P-C4' energy: -11.810 flat angles P-C4'-P energy: -7.634 tors. eta vs tors. theta energy: -14.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -177.117454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.117454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.117454 (E_RNA) where: Base-Base interactions energy: -120.866 where: short stacking energy: -51.293 Base-Backbone interact. energy: 0.349 local terms energy: -56.600182 where: bonds (distance) C4'-P energy: -11.117 bonds (distance) P-C4' energy: -12.233 flat angles C4'-P-C4' energy: -9.879 flat angles P-C4'-P energy: -7.181 tors. eta vs tors. theta energy: -16.190 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: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -175.643142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.643142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.643142 (E_RNA) where: Base-Base interactions energy: -117.242 where: short stacking energy: -47.557 Base-Backbone interact. energy: -0.001 local terms energy: -58.399837 where: bonds (distance) C4'-P energy: -12.865 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -8.999 flat angles P-C4'-P energy: -8.374 tors. eta vs tors. theta energy: -13.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -171.771882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.771882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.771882 (E_RNA) where: Base-Base interactions energy: -115.880 where: short stacking energy: -46.912 Base-Backbone interact. energy: -0.028 local terms energy: -55.864109 where: bonds (distance) C4'-P energy: -9.214 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -14.922 flat angles P-C4'-P energy: -6.882 tors. eta vs tors. theta energy: -12.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -172.197421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.197421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.197421 (E_RNA) where: Base-Base interactions energy: -112.366 where: short stacking energy: -42.185 Base-Backbone interact. energy: -0.115 local terms energy: -59.716083 where: bonds (distance) C4'-P energy: -11.678 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -10.536 flat angles P-C4'-P energy: -7.404 tors. eta vs tors. theta energy: -16.071 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: 7 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -65.212195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.212195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.212195 (E_RNA) where: Base-Base interactions energy: -30.072 where: short stacking energy: -20.171 Base-Backbone interact. energy: -0.388 local terms energy: -34.752835 where: bonds (distance) C4'-P energy: -10.807 bonds (distance) P-C4' energy: -9.099 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -7.885 tors. eta vs tors. theta energy: -0.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -65.754701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.754701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.754701 (E_RNA) where: Base-Base interactions energy: -26.788 where: short stacking energy: -17.917 Base-Backbone interact. energy: -0.423 local terms energy: -38.543743 where: bonds (distance) C4'-P energy: -11.338 bonds (distance) P-C4' energy: -13.537 flat angles C4'-P-C4' energy: -8.007 flat angles P-C4'-P energy: -6.703 tors. eta vs tors. theta energy: 1.040 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: 5 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -189.676305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.676305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.676305 (E_RNA) where: Base-Base interactions energy: -126.126 where: short stacking energy: -50.895 Base-Backbone interact. energy: -0.003 local terms energy: -63.546655 where: bonds (distance) C4'-P energy: -11.984 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -14.353 flat angles P-C4'-P energy: -8.728 tors. eta vs tors. theta energy: -13.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -191.397696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.397696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.397696 (E_RNA) where: Base-Base interactions energy: -134.554 where: short stacking energy: -57.404 Base-Backbone interact. energy: -0.106 local terms energy: -56.737906 where: bonds (distance) C4'-P energy: -9.120 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -11.678 flat angles P-C4'-P energy: -6.278 tors. eta vs tors. theta energy: -16.080 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: 6 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -183.563525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.563525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.563525 (E_RNA) where: Base-Base interactions energy: -123.932 where: short stacking energy: -53.152 Base-Backbone interact. energy: -0.165 local terms energy: -59.466746 where: bonds (distance) C4'-P energy: -11.011 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -13.677 flat angles P-C4'-P energy: -7.999 tors. eta vs tors. theta energy: -12.556 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: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -186.131892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.131892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.131892 (E_RNA) where: Base-Base interactions energy: -128.805 where: short stacking energy: -58.920 Base-Backbone interact. energy: -0.034 local terms energy: -57.293290 where: bonds (distance) C4'-P energy: -11.438 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -9.791 flat angles P-C4'-P energy: -5.613 tors. eta vs tors. theta energy: -16.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -186.334391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.334391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.334391 (E_RNA) where: Base-Base interactions energy: -125.448 where: short stacking energy: -53.771 Base-Backbone interact. energy: -0.012 local terms energy: -60.874052 where: bonds (distance) C4'-P energy: -8.421 bonds (distance) P-C4' energy: -11.976 flat angles C4'-P-C4' energy: -15.245 flat angles P-C4'-P energy: -9.464 tors. eta vs tors. theta energy: -15.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -169.454357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.454357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.454357 (E_RNA) where: Base-Base interactions energy: -112.536 where: short stacking energy: -56.473 Base-Backbone interact. energy: -0.237 local terms energy: -56.681924 where: bonds (distance) C4'-P energy: -9.179 bonds (distance) P-C4' energy: -9.108 flat angles C4'-P-C4' energy: -12.320 flat angles P-C4'-P energy: -10.768 tors. eta vs tors. theta energy: -15.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -163.070113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.070113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.070113 (E_RNA) where: Base-Base interactions energy: -119.109 where: short stacking energy: -52.379 Base-Backbone interact. energy: -0.056 local terms energy: -43.904976 where: bonds (distance) C4'-P energy: -11.314 bonds (distance) P-C4' energy: -7.740 flat angles C4'-P-C4' energy: -10.940 flat angles P-C4'-P energy: -1.006 tors. eta vs tors. theta energy: -12.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -167.247489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.247489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.247489 (E_RNA) where: Base-Base interactions energy: -118.658 where: short stacking energy: -49.250 Base-Backbone interact. energy: -0.089 local terms energy: -48.500040 where: bonds (distance) C4'-P energy: -10.100 bonds (distance) P-C4' energy: -9.890 flat angles C4'-P-C4' energy: -9.351 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -13.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -67.220482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.220482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.220482 (E_RNA) where: Base-Base interactions energy: -27.156 where: short stacking energy: -23.181 Base-Backbone interact. energy: -0.133 local terms energy: -39.931544 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -9.183 flat angles P-C4'-P energy: -8.355 tors. eta vs tors. theta energy: -1.460 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: 1 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -66.806421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.806421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.806421 (E_RNA) where: Base-Base interactions energy: -26.510 where: short stacking energy: -26.510 Base-Backbone interact. energy: 1.167 local terms energy: -41.463792 where: bonds (distance) C4'-P energy: -11.507 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -10.818 flat angles P-C4'-P energy: -6.623 tors. eta vs tors. theta energy: -0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -192.856067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.856067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.856067 (E_RNA) where: Base-Base interactions energy: -129.271 where: short stacking energy: -55.878 Base-Backbone interact. energy: -0.100 local terms energy: -63.485722 where: bonds (distance) C4'-P energy: -11.657 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -14.108 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -17.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -186.329646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.329646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.329646 (E_RNA) where: Base-Base interactions energy: -124.192 where: short stacking energy: -47.663 Base-Backbone interact. energy: 0.286 local terms energy: -62.423085 where: bonds (distance) C4'-P energy: -11.599 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -13.156 flat angles P-C4'-P energy: -9.840 tors. eta vs tors. theta energy: -14.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -186.815109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.815109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.815109 (E_RNA) where: Base-Base interactions energy: -124.107 where: short stacking energy: -52.104 Base-Backbone interact. energy: 0.118 local terms energy: -62.825825 where: bonds (distance) C4'-P energy: -11.829 bonds (distance) P-C4' energy: -11.168 flat angles C4'-P-C4' energy: -14.624 flat angles P-C4'-P energy: -9.333 tors. eta vs tors. theta energy: -15.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -180.430322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.430322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.430322 (E_RNA) where: Base-Base interactions energy: -120.483 where: short stacking energy: -52.247 Base-Backbone interact. energy: -0.000 local terms energy: -59.947482 where: bonds (distance) C4'-P energy: -11.902 bonds (distance) P-C4' energy: -10.546 flat angles C4'-P-C4' energy: -10.907 flat angles P-C4'-P energy: -11.030 tors. eta vs tors. theta energy: -15.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -182.352679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.352679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.352679 (E_RNA) where: Base-Base interactions energy: -123.466 where: short stacking energy: -47.279 Base-Backbone interact. energy: -0.001 local terms energy: -58.884890 where: bonds (distance) C4'-P energy: -9.579 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -12.704 flat angles P-C4'-P energy: -6.174 tors. eta vs tors. theta energy: -15.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -172.266228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.266228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.266228 (E_RNA) where: Base-Base interactions energy: -117.271 where: short stacking energy: -45.196 Base-Backbone interact. energy: -0.095 local terms energy: -54.899606 where: bonds (distance) C4'-P energy: -10.287 bonds (distance) P-C4' energy: -9.695 flat angles C4'-P-C4' energy: -11.749 flat angles P-C4'-P energy: -8.935 tors. eta vs tors. theta energy: -14.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -166.570156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.570156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.570156 (E_RNA) where: Base-Base interactions energy: -111.123 where: short stacking energy: -45.900 Base-Backbone interact. energy: -0.677 local terms energy: -54.769371 where: bonds (distance) C4'-P energy: -10.809 bonds (distance) P-C4' energy: -11.578 flat angles C4'-P-C4' energy: -12.992 flat angles P-C4'-P energy: -6.748 tors. eta vs tors. theta energy: -12.643 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: 10 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -163.931521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.931521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.931521 (E_RNA) where: Base-Base interactions energy: -111.763 where: short stacking energy: -45.190 Base-Backbone interact. energy: -0.454 local terms energy: -51.714299 where: bonds (distance) C4'-P energy: -11.553 bonds (distance) P-C4' energy: -10.248 flat angles C4'-P-C4' energy: -12.600 flat angles P-C4'-P energy: -5.938 tors. eta vs tors. theta energy: -11.375 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: 9, replica: 1 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -63.500693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.500693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.500693 (E_RNA) where: Base-Base interactions energy: -15.843 where: short stacking energy: -15.843 Base-Backbone interact. energy: -0.020 local terms energy: -47.638464 where: bonds (distance) C4'-P energy: -10.913 bonds (distance) P-C4' energy: -12.273 flat angles C4'-P-C4' energy: -14.320 flat angles P-C4'-P energy: -8.108 tors. eta vs tors. theta energy: -2.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -62.268370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.268370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.268370 (E_RNA) where: Base-Base interactions energy: -22.459 where: short stacking energy: -16.654 Base-Backbone interact. energy: -0.210 local terms energy: -39.599705 where: bonds (distance) C4'-P energy: -11.073 bonds (distance) P-C4' energy: -11.813 flat angles C4'-P-C4' energy: -11.486 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -0.364 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: 5 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -189.165643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.165643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.165643 (E_RNA) where: Base-Base interactions energy: -128.618 where: short stacking energy: -51.172 Base-Backbone interact. energy: -0.637 local terms energy: -59.910874 where: bonds (distance) C4'-P energy: -10.484 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -13.801 flat angles P-C4'-P energy: -9.602 tors. eta vs tors. theta energy: -13.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -187.783953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.783953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.783953 (E_RNA) where: Base-Base interactions energy: -128.361 where: short stacking energy: -48.894 Base-Backbone interact. energy: -0.295 local terms energy: -59.128012 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -12.574 flat angles P-C4'-P energy: -6.807 tors. eta vs tors. theta energy: -13.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -180.698508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.698508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.698508 (E_RNA) where: Base-Base interactions energy: -116.134 where: short stacking energy: -46.035 Base-Backbone interact. energy: -0.157 local terms energy: -64.407695 where: bonds (distance) C4'-P energy: -13.475 bonds (distance) P-C4' energy: -14.527 flat angles C4'-P-C4' energy: -12.198 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: -15.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -184.272657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.272657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.272657 (E_RNA) where: Base-Base interactions energy: -118.583 where: short stacking energy: -46.705 Base-Backbone interact. energy: -1.056 local terms energy: -64.633824 where: bonds (distance) C4'-P energy: -12.705 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -12.592 flat angles P-C4'-P energy: -10.141 tors. eta vs tors. theta energy: -16.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -173.420981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.420981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.420981 (E_RNA) where: Base-Base interactions energy: -118.289 where: short stacking energy: -47.652 Base-Backbone interact. energy: -0.004 local terms energy: -55.127838 where: bonds (distance) C4'-P energy: -8.523 bonds (distance) P-C4' energy: -13.162 flat angles C4'-P-C4' energy: -10.403 flat angles P-C4'-P energy: -9.256 tors. eta vs tors. theta energy: -13.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -170.481939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.481939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.481939 (E_RNA) where: Base-Base interactions energy: -119.744 where: short stacking energy: -42.932 Base-Backbone interact. energy: -0.568 local terms energy: -50.169888 where: bonds (distance) C4'-P energy: -14.331 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -9.375 flat angles P-C4'-P energy: -7.142 tors. eta vs tors. theta energy: -12.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -170.138876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.138876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.138876 (E_RNA) where: Base-Base interactions energy: -116.990 where: short stacking energy: -46.509 Base-Backbone interact. energy: -0.008 local terms energy: -53.141067 where: bonds (distance) C4'-P energy: -9.907 bonds (distance) P-C4' energy: -11.852 flat angles C4'-P-C4' energy: -8.342 flat angles P-C4'-P energy: -7.565 tors. eta vs tors. theta energy: -15.476 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: 8, replica: 10 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -153.879917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.879917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.879917 (E_RNA) where: Base-Base interactions energy: -98.511 where: short stacking energy: -37.131 Base-Backbone interact. energy: -0.354 local terms energy: -55.015571 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -7.422 flat angles C4'-P-C4' energy: -10.463 flat angles P-C4'-P energy: -10.766 tors. eta vs tors. theta energy: -13.599 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: 9, replica: 1 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -65.373220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.373220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.373220 (E_RNA) where: Base-Base interactions energy: -27.300 where: short stacking energy: -12.604 Base-Backbone interact. energy: -0.232 local terms energy: -37.841298 where: bonds (distance) C4'-P energy: -13.176 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -8.586 tors. eta vs tors. theta energy: 3.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -63.251255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.251255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.251255 (E_RNA) where: Base-Base interactions energy: -24.692 where: short stacking energy: -21.543 Base-Backbone interact. energy: -0.155 local terms energy: -38.404000 where: bonds (distance) C4'-P energy: -12.730 bonds (distance) P-C4' energy: -9.639 flat angles C4'-P-C4' energy: -11.483 flat angles P-C4'-P energy: -0.345 tors. eta vs tors. theta energy: -4.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -193.920349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.920349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.920349 (E_RNA) where: Base-Base interactions energy: -136.597 where: short stacking energy: -48.781 Base-Backbone interact. energy: -0.002 local terms energy: -57.321815 where: bonds (distance) C4'-P energy: -10.714 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -12.852 flat angles P-C4'-P energy: -2.558 tors. eta vs tors. theta energy: -17.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -185.138966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.138966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.138966 (E_RNA) where: Base-Base interactions energy: -123.128 where: short stacking energy: -53.889 Base-Backbone interact. energy: -0.046 local terms energy: -61.965627 where: bonds (distance) C4'-P energy: -12.569 bonds (distance) P-C4' energy: -13.889 flat angles C4'-P-C4' energy: -13.419 flat angles P-C4'-P energy: -6.186 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: 3, replica: 8 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -180.983450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.983450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.983450 (E_RNA) where: Base-Base interactions energy: -120.322 where: short stacking energy: -51.507 Base-Backbone interact. energy: -0.004 local terms energy: -60.657654 where: bonds (distance) C4'-P energy: -13.433 bonds (distance) P-C4' energy: -14.311 flat angles C4'-P-C4' energy: -13.690 flat angles P-C4'-P energy: -6.299 tors. eta vs tors. theta energy: -12.925 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: 108 Temperature: 1.050000 Total energy: -183.164340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.164340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.164340 (E_RNA) where: Base-Base interactions energy: -120.872 where: short stacking energy: -46.705 Base-Backbone interact. energy: -0.042 local terms energy: -62.250401 where: bonds (distance) C4'-P energy: -13.416 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -10.978 flat angles P-C4'-P energy: -6.239 tors. eta vs tors. theta energy: -17.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -175.947841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.947841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.947841 (E_RNA) where: Base-Base interactions energy: -119.964 where: short stacking energy: -49.788 Base-Backbone interact. energy: 0.890 local terms energy: -56.873721 where: bonds (distance) C4'-P energy: -12.238 bonds (distance) P-C4' energy: -10.595 flat angles C4'-P-C4' energy: -11.988 flat angles P-C4'-P energy: -7.026 tors. eta vs tors. theta energy: -15.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -172.342974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.342974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.342974 (E_RNA) where: Base-Base interactions energy: -111.062 where: short stacking energy: -44.335 Base-Backbone interact. energy: -0.003 local terms energy: -61.277513 where: bonds (distance) C4'-P energy: -12.000 bonds (distance) P-C4' energy: -12.049 flat angles C4'-P-C4' energy: -13.726 flat angles P-C4'-P energy: -10.031 tors. eta vs tors. theta energy: -13.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -163.772612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.772612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.772612 (E_RNA) where: Base-Base interactions energy: -108.447 where: short stacking energy: -43.996 Base-Backbone interact. energy: -0.354 local terms energy: -54.971507 where: bonds (distance) C4'-P energy: -11.205 bonds (distance) P-C4' energy: -13.874 flat angles C4'-P-C4' energy: -11.878 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -13.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -138.610914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.610914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.610914 (E_RNA) where: Base-Base interactions energy: -86.505 where: short stacking energy: -37.846 Base-Backbone interact. energy: -0.507 local terms energy: -51.598432 where: bonds (distance) C4'-P energy: -13.718 bonds (distance) P-C4' energy: -13.577 flat angles C4'-P-C4' energy: -12.652 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -8.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -92.128021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.128021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.128021 (E_RNA) where: Base-Base interactions energy: -36.107 where: short stacking energy: -36.107 Base-Backbone interact. energy: -0.005 local terms energy: -56.016083 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -11.315 flat angles C4'-P-C4' energy: -12.901 flat angles P-C4'-P energy: -5.915 tors. eta vs tors. theta energy: -13.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -57.526162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.526162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.526162 (E_RNA) where: Base-Base interactions energy: -21.188 where: short stacking energy: -15.186 Base-Backbone interact. energy: -0.136 local terms energy: -36.201541 where: bonds (distance) C4'-P energy: -9.940 bonds (distance) P-C4' energy: -13.325 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -186.747251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.747251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.747251 (E_RNA) where: Base-Base interactions energy: -130.179 where: short stacking energy: -45.915 Base-Backbone interact. energy: -0.072 local terms energy: -56.496712 where: bonds (distance) C4'-P energy: -11.153 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -12.868 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: -12.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -185.576222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.576222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.576222 (E_RNA) where: Base-Base interactions energy: -121.623 where: short stacking energy: -55.166 Base-Backbone interact. energy: 0.407 local terms energy: -64.360097 where: bonds (distance) C4'-P energy: -11.442 bonds (distance) P-C4' energy: -10.826 flat angles C4'-P-C4' energy: -15.011 flat angles P-C4'-P energy: -10.338 tors. eta vs tors. theta energy: -16.743 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: 3, replica: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -181.089371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.089371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.089371 (E_RNA) where: Base-Base interactions energy: -118.734 where: short stacking energy: -51.805 Base-Backbone interact. energy: -0.020 local terms energy: -62.335849 where: bonds (distance) C4'-P energy: -13.666 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -12.052 flat angles P-C4'-P energy: -9.312 tors. eta vs tors. theta energy: -13.398 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: 9 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -183.037445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.037445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.037445 (E_RNA) where: Base-Base interactions energy: -128.722 where: short stacking energy: -50.483 Base-Backbone interact. energy: -0.000 local terms energy: -54.315181 where: bonds (distance) C4'-P energy: -11.757 bonds (distance) P-C4' energy: -12.439 flat angles C4'-P-C4' energy: -9.242 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: -16.663 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: 2 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -168.341666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.341666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.341666 (E_RNA) where: Base-Base interactions energy: -114.878 where: short stacking energy: -42.327 Base-Backbone interact. energy: -0.372 local terms energy: -53.091476 where: bonds (distance) C4'-P energy: -11.044 bonds (distance) P-C4' energy: -14.868 flat angles C4'-P-C4' energy: -6.913 flat angles P-C4'-P energy: -8.626 tors. eta vs tors. theta energy: -11.641 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: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -168.114408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.114408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.114408 (E_RNA) where: Base-Base interactions energy: -112.620 where: short stacking energy: -44.006 Base-Backbone interact. energy: -0.592 local terms energy: -54.902355 where: bonds (distance) C4'-P energy: -9.198 bonds (distance) P-C4' energy: -11.796 flat angles C4'-P-C4' energy: -13.202 flat angles P-C4'-P energy: -6.534 tors. eta vs tors. theta energy: -14.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -166.859614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.859614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.859614 (E_RNA) where: Base-Base interactions energy: -112.893 where: short stacking energy: -44.193 Base-Backbone interact. energy: -0.591 local terms energy: -53.375560 where: bonds (distance) C4'-P energy: -7.157 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -10.613 flat angles P-C4'-P energy: -7.696 tors. eta vs tors. theta energy: -14.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -168.444636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.444636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.444636 (E_RNA) where: Base-Base interactions energy: -121.063 where: short stacking energy: -53.378 Base-Backbone interact. energy: -0.002 local terms energy: -47.380166 where: bonds (distance) C4'-P energy: -10.149 bonds (distance) P-C4' energy: -12.656 flat angles C4'-P-C4' energy: -9.013 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -11.822 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: 9, replica: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -66.969351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.969351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.969351 (E_RNA) where: Base-Base interactions energy: -24.678 where: short stacking energy: -23.738 Base-Backbone interact. energy: 0.504 local terms energy: -42.794775 where: bonds (distance) C4'-P energy: -9.944 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -9.385 flat angles P-C4'-P energy: -2.831 tors. eta vs tors. theta energy: -8.201 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: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -65.846228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.846228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.846228 (E_RNA) where: Base-Base interactions energy: -24.504 where: short stacking energy: -15.950 Base-Backbone interact. energy: -0.105 local terms energy: -41.236726 where: bonds (distance) C4'-P energy: -13.372 bonds (distance) P-C4' energy: -11.092 flat angles C4'-P-C4' energy: -8.431 flat angles P-C4'-P energy: -7.271 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -188.456978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.456978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.456978 (E_RNA) where: Base-Base interactions energy: -129.535 where: short stacking energy: -51.909 Base-Backbone interact. energy: -0.841 local terms energy: -58.080700 where: bonds (distance) C4'-P energy: -10.051 bonds (distance) P-C4' energy: -10.414 flat angles C4'-P-C4' energy: -13.045 flat angles P-C4'-P energy: -8.764 tors. eta vs tors. theta energy: -15.806 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: 4 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -179.319306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.319306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.319306 (E_RNA) where: Base-Base interactions energy: -121.261 where: short stacking energy: -58.400 Base-Backbone interact. energy: -0.029 local terms energy: -58.028807 where: bonds (distance) C4'-P energy: -11.442 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -13.910 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -13.606 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: 9 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -186.438633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.438633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.438633 (E_RNA) where: Base-Base interactions energy: -130.475 where: short stacking energy: -55.606 Base-Backbone interact. energy: -0.110 local terms energy: -55.853788 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -13.022 flat angles C4'-P-C4' energy: -11.119 flat angles P-C4'-P energy: -8.372 tors. eta vs tors. theta energy: -14.529 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: 5 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -188.606821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.606821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.606821 (E_RNA) where: Base-Base interactions energy: -128.148 where: short stacking energy: -53.599 Base-Backbone interact. energy: -0.254 local terms energy: -60.204911 where: bonds (distance) C4'-P energy: -11.347 bonds (distance) P-C4' energy: -13.391 flat angles C4'-P-C4' energy: -13.210 flat angles P-C4'-P energy: -7.159 tors. eta vs tors. theta energy: -15.098 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: 5, replica: 6 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -178.823626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.823626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.823626 (E_RNA) where: Base-Base interactions energy: -119.394 where: short stacking energy: -50.340 Base-Backbone interact. energy: -0.051 local terms energy: -59.378338 where: bonds (distance) C4'-P energy: -10.892 bonds (distance) P-C4' energy: -13.669 flat angles C4'-P-C4' energy: -10.670 flat angles P-C4'-P energy: -7.728 tors. eta vs tors. theta energy: -16.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -167.581986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.581986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.581986 (E_RNA) where: Base-Base interactions energy: -112.973 where: short stacking energy: -48.179 Base-Backbone interact. energy: -0.042 local terms energy: -54.567304 where: bonds (distance) C4'-P energy: -11.160 bonds (distance) P-C4' energy: -12.533 flat angles C4'-P-C4' energy: -10.101 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -15.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -167.881997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.881997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.881997 (E_RNA) where: Base-Base interactions energy: -115.409 where: short stacking energy: -45.529 Base-Backbone interact. energy: -0.005 local terms energy: -52.467470 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -11.181 flat angles C4'-P-C4' energy: -12.450 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -9.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -150.241981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.241981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.241981 (E_RNA) where: Base-Base interactions energy: -98.686 where: short stacking energy: -40.518 Base-Backbone interact. energy: -0.313 local terms energy: -51.242695 where: bonds (distance) C4'-P energy: -11.392 bonds (distance) P-C4' energy: -12.757 flat angles C4'-P-C4' energy: -13.882 flat angles P-C4'-P energy: -1.801 tors. eta vs tors. theta energy: -11.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -75.205895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.205895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.205895 (E_RNA) where: Base-Base interactions energy: -32.216 where: short stacking energy: -24.379 Base-Backbone interact. energy: 0.941 local terms energy: -43.931284 where: bonds (distance) C4'-P energy: -6.884 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -8.087 tors. eta vs tors. theta energy: -4.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -59.301807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.301807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.301807 (E_RNA) where: Base-Base interactions energy: -25.715 where: short stacking energy: -17.297 Base-Backbone interact. energy: -0.082 local terms energy: -33.504842 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -11.217 flat angles C4'-P-C4' energy: -7.468 flat angles P-C4'-P energy: -8.599 tors. eta vs tors. theta energy: 0.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -188.133172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.133172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.133172 (E_RNA) where: Base-Base interactions energy: -128.998 where: short stacking energy: -56.199 Base-Backbone interact. energy: 0.469 local terms energy: -59.603782 where: bonds (distance) C4'-P energy: -9.975 bonds (distance) P-C4' energy: -9.405 flat angles C4'-P-C4' energy: -13.999 flat angles P-C4'-P energy: -9.995 tors. eta vs tors. theta energy: -16.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -185.549872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.549872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.549872 (E_RNA) where: Base-Base interactions energy: -120.656 where: short stacking energy: -50.987 Base-Backbone interact. energy: -0.408 local terms energy: -64.486356 where: bonds (distance) C4'-P energy: -10.716 bonds (distance) P-C4' energy: -14.048 flat angles C4'-P-C4' energy: -12.121 flat angles P-C4'-P energy: -10.305 tors. eta vs tors. theta energy: -17.296 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: 4 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -182.783533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.783533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.783533 (E_RNA) where: Base-Base interactions energy: -126.256 where: short stacking energy: -47.275 Base-Backbone interact. energy: -0.033 local terms energy: -56.494461 where: bonds (distance) C4'-P energy: -10.481 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -12.042 flat angles P-C4'-P energy: -5.640 tors. eta vs tors. theta energy: -14.372 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: 111 Temperature: 1.050000 Total energy: -179.206887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.206887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.206887 (E_RNA) where: Base-Base interactions energy: -119.194 where: short stacking energy: -48.317 Base-Backbone interact. energy: -0.000 local terms energy: -60.012957 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -10.622 flat angles C4'-P-C4' energy: -11.903 flat angles P-C4'-P energy: -8.940 tors. eta vs tors. theta energy: -15.735 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: 5, replica: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -168.652907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.652907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.652907 (E_RNA) where: Base-Base interactions energy: -112.901 where: short stacking energy: -44.234 Base-Backbone interact. energy: -0.060 local terms energy: -55.692602 where: bonds (distance) C4'-P energy: -11.731 bonds (distance) P-C4' energy: -11.619 flat angles C4'-P-C4' energy: -12.756 flat angles P-C4'-P energy: -9.717 tors. eta vs tors. theta energy: -9.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -172.585003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.585003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.585003 (E_RNA) where: Base-Base interactions energy: -113.907 where: short stacking energy: -47.970 Base-Backbone interact. energy: -0.093 local terms energy: -58.584603 where: bonds (distance) C4'-P energy: -14.062 bonds (distance) P-C4' energy: -9.344 flat angles C4'-P-C4' energy: -10.728 flat angles P-C4'-P energy: -7.541 tors. eta vs tors. theta energy: -16.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -167.896101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.896101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.896101 (E_RNA) where: Base-Base interactions energy: -116.786 where: short stacking energy: -43.002 Base-Backbone interact. energy: -0.006 local terms energy: -51.104070 where: bonds (distance) C4'-P energy: -13.273 bonds (distance) P-C4' energy: -11.463 flat angles C4'-P-C4' energy: -12.627 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -9.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -168.687322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.687322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.687322 (E_RNA) where: Base-Base interactions energy: -115.435 where: short stacking energy: -48.650 Base-Backbone interact. energy: -0.933 local terms energy: -52.319737 where: bonds (distance) C4'-P energy: -12.771 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -13.206 flat angles P-C4'-P energy: -5.020 tors. eta vs tors. theta energy: -11.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -69.869078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.869078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.869078 (E_RNA) where: Base-Base interactions energy: -37.404 where: short stacking energy: -20.690 Base-Backbone interact. energy: 0.354 local terms energy: -32.819330 where: bonds (distance) C4'-P energy: -9.658 bonds (distance) P-C4' energy: -11.165 flat angles C4'-P-C4' energy: -8.358 flat angles P-C4'-P energy: -9.674 tors. eta vs tors. theta energy: 6.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -63.631783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.631783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.631783 (E_RNA) where: Base-Base interactions energy: -33.115 where: short stacking energy: -18.970 Base-Backbone interact. energy: 2.220 local terms energy: -32.736894 where: bonds (distance) C4'-P energy: -11.003 bonds (distance) P-C4' energy: -8.684 flat angles C4'-P-C4' energy: -3.370 flat angles P-C4'-P energy: -8.911 tors. eta vs tors. theta energy: -0.769 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: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -188.615297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.615297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.615297 (E_RNA) where: Base-Base interactions energy: -120.650 where: short stacking energy: -49.031 Base-Backbone interact. energy: -1.333 local terms energy: -66.632258 where: bonds (distance) C4'-P energy: -13.813 bonds (distance) P-C4' energy: -12.761 flat angles C4'-P-C4' energy: -14.129 flat angles P-C4'-P energy: -10.159 tors. eta vs tors. theta energy: -15.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -184.448022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.448022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.448022 (E_RNA) where: Base-Base interactions energy: -126.470 where: short stacking energy: -49.732 Base-Backbone interact. energy: -0.974 local terms energy: -57.004208 where: bonds (distance) C4'-P energy: -11.115 bonds (distance) P-C4' energy: -7.396 flat angles C4'-P-C4' energy: -12.643 flat angles P-C4'-P energy: -9.544 tors. eta vs tors. theta energy: -16.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -188.063209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.063209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.063209 (E_RNA) where: Base-Base interactions energy: -132.623 where: short stacking energy: -53.147 Base-Backbone interact. energy: -0.516 local terms energy: -54.924453 where: bonds (distance) C4'-P energy: -11.107 bonds (distance) P-C4' energy: -12.528 flat angles C4'-P-C4' energy: -12.378 flat angles P-C4'-P energy: -2.211 tors. eta vs tors. theta energy: -16.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -176.584197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.584197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.584197 (E_RNA) where: Base-Base interactions energy: -122.367 where: short stacking energy: -51.761 Base-Backbone interact. energy: -0.044 local terms energy: -54.173446 where: bonds (distance) C4'-P energy: -12.452 bonds (distance) P-C4' energy: -7.974 flat angles C4'-P-C4' energy: -12.114 flat angles P-C4'-P energy: -8.059 tors. eta vs tors. theta energy: -13.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -179.636365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.636365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.636365 (E_RNA) where: Base-Base interactions energy: -123.176 where: short stacking energy: -49.772 Base-Backbone interact. energy: -0.219 local terms energy: -56.241363 where: bonds (distance) C4'-P energy: -12.175 bonds (distance) P-C4' energy: -10.666 flat angles C4'-P-C4' energy: -11.810 flat angles P-C4'-P energy: -6.867 tors. eta vs tors. theta energy: -14.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -182.360664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.360664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.360664 (E_RNA) where: Base-Base interactions energy: -118.542 where: short stacking energy: -52.960 Base-Backbone interact. energy: -0.038 local terms energy: -63.781015 where: bonds (distance) C4'-P energy: -12.136 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -9.055 tors. eta vs tors. theta energy: -16.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -172.519277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.519277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.519277 (E_RNA) where: Base-Base interactions energy: -115.383 where: short stacking energy: -47.580 Base-Backbone interact. energy: -0.393 local terms energy: -56.743559 where: bonds (distance) C4'-P energy: -8.267 bonds (distance) P-C4' energy: -12.110 flat angles C4'-P-C4' energy: -12.242 flat angles P-C4'-P energy: -8.444 tors. eta vs tors. theta energy: -15.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -160.336368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.336368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.336368 (E_RNA) where: Base-Base interactions energy: -108.240 where: short stacking energy: -40.534 Base-Backbone interact. energy: -0.281 local terms energy: -51.816081 where: bonds (distance) C4'-P energy: -9.753 bonds (distance) P-C4' energy: -11.088 flat angles C4'-P-C4' energy: -10.716 flat angles P-C4'-P energy: -8.456 tors. eta vs tors. theta energy: -11.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -71.984603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.984603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.984603 (E_RNA) where: Base-Base interactions energy: -32.341 where: short stacking energy: -14.012 Base-Backbone interact. energy: -0.198 local terms energy: -39.445964 where: bonds (distance) C4'-P energy: -11.669 bonds (distance) P-C4' energy: -11.653 flat angles C4'-P-C4' energy: -10.901 flat angles P-C4'-P energy: -1.119 tors. eta vs tors. theta energy: -4.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -60.322341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.322341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.322341 (E_RNA) where: Base-Base interactions energy: -17.078 where: short stacking energy: -13.600 Base-Backbone interact. energy: -0.333 local terms energy: -42.911194 where: bonds (distance) C4'-P energy: -14.733 bonds (distance) P-C4' energy: -10.778 flat angles C4'-P-C4' energy: -10.791 flat angles P-C4'-P energy: -6.881 tors. eta vs tors. theta energy: 0.272 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: 8 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -190.133812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.133812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.133812 (E_RNA) where: Base-Base interactions energy: -134.889 where: short stacking energy: -52.674 Base-Backbone interact. energy: -0.022 local terms energy: -55.222454 where: bonds (distance) C4'-P energy: -10.795 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -10.370 flat angles P-C4'-P energy: -8.417 tors. eta vs tors. theta energy: -13.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -184.226236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.226236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.226236 (E_RNA) where: Base-Base interactions energy: -124.999 where: short stacking energy: -53.094 Base-Backbone interact. energy: 0.418 local terms energy: -59.644571 where: bonds (distance) C4'-P energy: -9.207 bonds (distance) P-C4' energy: -11.722 flat angles C4'-P-C4' energy: -14.434 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -14.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -179.066446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.066446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.066446 (E_RNA) where: Base-Base interactions energy: -121.103 where: short stacking energy: -48.089 Base-Backbone interact. energy: -0.894 local terms energy: -57.069672 where: bonds (distance) C4'-P energy: -10.150 bonds (distance) P-C4' energy: -10.540 flat angles C4'-P-C4' energy: -13.472 flat angles P-C4'-P energy: -9.758 tors. eta vs tors. theta energy: -13.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -177.765253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.765253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.765253 (E_RNA) where: Base-Base interactions energy: -124.322 where: short stacking energy: -51.099 Base-Backbone interact. energy: -0.091 local terms energy: -53.352072 where: bonds (distance) C4'-P energy: -12.133 bonds (distance) P-C4' energy: -11.942 flat angles C4'-P-C4' energy: -11.787 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -12.653 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: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -177.056629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.056629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.056629 (E_RNA) where: Base-Base interactions energy: -118.641 where: short stacking energy: -51.968 Base-Backbone interact. energy: -0.387 local terms energy: -58.028047 where: bonds (distance) C4'-P energy: -11.221 bonds (distance) P-C4' energy: -9.646 flat angles C4'-P-C4' energy: -12.557 flat angles P-C4'-P energy: -11.609 tors. eta vs tors. theta energy: -12.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -167.954814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.954814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.954814 (E_RNA) where: Base-Base interactions energy: -110.000 where: short stacking energy: -39.999 Base-Backbone interact. energy: 0.761 local terms energy: -58.716265 where: bonds (distance) C4'-P energy: -9.699 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -12.201 flat angles P-C4'-P energy: -9.364 tors. eta vs tors. theta energy: -13.468 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: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -169.711572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.711572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.711572 (E_RNA) where: Base-Base interactions energy: -112.321 where: short stacking energy: -52.025 Base-Backbone interact. energy: -1.544 local terms energy: -55.846379 where: bonds (distance) C4'-P energy: -8.394 bonds (distance) P-C4' energy: -10.460 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -5.637 tors. eta vs tors. theta energy: -18.163 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: 2 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -162.141042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.141042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.141042 (E_RNA) where: Base-Base interactions energy: -109.654 where: short stacking energy: -43.331 Base-Backbone interact. energy: -0.019 local terms energy: -52.468291 where: bonds (distance) C4'-P energy: -10.777 bonds (distance) P-C4' energy: -14.558 flat angles C4'-P-C4' energy: -9.047 flat angles P-C4'-P energy: -9.705 tors. eta vs tors. theta energy: -8.382 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: 1 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -66.025261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.025261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.025261 (E_RNA) where: Base-Base interactions energy: -37.837 where: short stacking energy: -20.186 Base-Backbone interact. energy: 0.451 local terms energy: -28.638781 where: bonds (distance) C4'-P energy: -7.406 bonds (distance) P-C4' energy: -5.798 flat angles C4'-P-C4' energy: -10.196 flat angles P-C4'-P energy: -4.366 tors. eta vs tors. theta energy: -0.873 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: 113 Temperature: 1.350000 Total energy: -94.957531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.957531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.957531 (E_RNA) where: Base-Base interactions energy: -61.416 where: short stacking energy: -23.465 Base-Backbone interact. energy: -0.035 local terms energy: -33.506532 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -12.480 flat angles C4'-P-C4' energy: -8.890 flat angles P-C4'-P energy: -3.090 tors. eta vs tors. theta energy: -2.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -190.465384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.465384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.465384 (E_RNA) where: Base-Base interactions energy: -125.872 where: short stacking energy: -54.081 Base-Backbone interact. energy: -0.004 local terms energy: -64.589857 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -13.779 flat angles C4'-P-C4' energy: -12.535 flat angles P-C4'-P energy: -9.808 tors. eta vs tors. theta energy: -16.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -190.810327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.810327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.810327 (E_RNA) where: Base-Base interactions energy: -123.062 where: short stacking energy: -49.781 Base-Backbone interact. energy: -0.314 local terms energy: -67.434154 where: bonds (distance) C4'-P energy: -11.964 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -14.744 flat angles P-C4'-P energy: -8.803 tors. eta vs tors. theta energy: -17.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -192.379846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.379846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.379846 (E_RNA) where: Base-Base interactions energy: -126.720 where: short stacking energy: -52.680 Base-Backbone interact. energy: -0.393 local terms energy: -65.267012 where: bonds (distance) C4'-P energy: -14.128 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -14.771 flat angles P-C4'-P energy: -6.394 tors. eta vs tors. theta energy: -17.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -188.065221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.065221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.065221 (E_RNA) where: Base-Base interactions energy: -125.075 where: short stacking energy: -52.243 Base-Backbone interact. energy: -0.305 local terms energy: -62.685515 where: bonds (distance) C4'-P energy: -11.160 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -14.508 flat angles P-C4'-P energy: -7.784 tors. eta vs tors. theta energy: -16.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -176.851822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.851822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.851822 (E_RNA) where: Base-Base interactions energy: -118.546 where: short stacking energy: -50.773 Base-Backbone interact. energy: -0.068 local terms energy: -58.238374 where: bonds (distance) C4'-P energy: -14.671 bonds (distance) P-C4' energy: -11.008 flat angles C4'-P-C4' energy: -12.235 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -14.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -179.727499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.727499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.727499 (E_RNA) where: Base-Base interactions energy: -123.007 where: short stacking energy: -52.393 Base-Backbone interact. energy: -0.986 local terms energy: -55.734089 where: bonds (distance) C4'-P energy: -8.693 bonds (distance) P-C4' energy: -14.084 flat angles C4'-P-C4' energy: -11.596 flat angles P-C4'-P energy: -7.610 tors. eta vs tors. theta energy: -13.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -169.797225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.797225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.797225 (E_RNA) where: Base-Base interactions energy: -114.769 where: short stacking energy: -53.236 Base-Backbone interact. energy: -0.001 local terms energy: -55.027415 where: bonds (distance) C4'-P energy: -11.359 bonds (distance) P-C4' energy: -14.668 flat angles C4'-P-C4' energy: -11.557 flat angles P-C4'-P energy: -1.214 tors. eta vs tors. theta energy: -16.231 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: 6 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -165.470246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.470246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.470246 (E_RNA) where: Base-Base interactions energy: -119.474 where: short stacking energy: -45.838 Base-Backbone interact. energy: 0.222 local terms energy: -46.218058 where: bonds (distance) C4'-P energy: -9.503 bonds (distance) P-C4' energy: -10.899 flat angles C4'-P-C4' energy: -10.734 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -10.195 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: 7 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -76.773491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.773491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.773491 (E_RNA) where: Base-Base interactions energy: -44.333 where: short stacking energy: -17.209 Base-Backbone interact. energy: -0.998 local terms energy: -31.442921 where: bonds (distance) C4'-P energy: -11.437 bonds (distance) P-C4' energy: -9.973 flat angles C4'-P-C4' energy: -9.182 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: 2.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -63.123129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.123129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.123129 (E_RNA) where: Base-Base interactions energy: -25.280 where: short stacking energy: -25.280 Base-Backbone interact. energy: -0.051 local terms energy: -37.792828 where: bonds (distance) C4'-P energy: -8.818 bonds (distance) P-C4' energy: -12.101 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -9.244 tors. eta vs tors. theta energy: -3.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -188.911317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.911317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.911317 (E_RNA) where: Base-Base interactions energy: -124.872 where: short stacking energy: -51.838 Base-Backbone interact. energy: -0.015 local terms energy: -64.025004 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -14.287 flat angles C4'-P-C4' energy: -11.446 flat angles P-C4'-P energy: -9.152 tors. eta vs tors. theta energy: -15.794 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: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -191.043042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.043042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.043042 (E_RNA) where: Base-Base interactions energy: -126.660 where: short stacking energy: -44.215 Base-Backbone interact. energy: -0.000 local terms energy: -64.382300 where: bonds (distance) C4'-P energy: -12.163 bonds (distance) P-C4' energy: -14.137 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -7.633 tors. eta vs tors. theta energy: -17.068 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: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -184.352158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.352158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.352158 (E_RNA) where: Base-Base interactions energy: -118.157 where: short stacking energy: -50.761 Base-Backbone interact. energy: -0.006 local terms energy: -66.189233 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -12.923 flat angles C4'-P-C4' energy: -12.406 flat angles P-C4'-P energy: -10.307 tors. eta vs tors. theta energy: -18.639 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: 5 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -177.935906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.935906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.935906 (E_RNA) where: Base-Base interactions energy: -122.915 where: short stacking energy: -42.833 Base-Backbone interact. energy: 0.271 local terms energy: -55.291790 where: bonds (distance) C4'-P energy: -8.739 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -14.977 flat angles P-C4'-P energy: -6.180 tors. eta vs tors. theta energy: -12.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -178.566220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.566220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.566220 (E_RNA) where: Base-Base interactions energy: -117.340 where: short stacking energy: -46.303 Base-Backbone interact. energy: -0.002 local terms energy: -61.224296 where: bonds (distance) C4'-P energy: -12.759 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -11.271 flat angles P-C4'-P energy: -9.615 tors. eta vs tors. theta energy: -14.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -174.871765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.871765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.871765 (E_RNA) where: Base-Base interactions energy: -121.150 where: short stacking energy: -39.594 Base-Backbone interact. energy: -0.100 local terms energy: -53.622357 where: bonds (distance) C4'-P energy: -11.363 bonds (distance) P-C4' energy: -10.029 flat angles C4'-P-C4' energy: -13.698 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -12.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -166.561850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.561850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.561850 (E_RNA) where: Base-Base interactions energy: -109.394 where: short stacking energy: -47.990 Base-Backbone interact. energy: -0.083 local terms energy: -57.084731 where: bonds (distance) C4'-P energy: -12.708 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -10.597 flat angles P-C4'-P energy: -7.797 tors. eta vs tors. theta energy: -12.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -149.294368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.294368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.294368 (E_RNA) where: Base-Base interactions energy: -100.441 where: short stacking energy: -42.772 Base-Backbone interact. energy: 1.366 local terms energy: -50.219740 where: bonds (distance) C4'-P energy: -10.016 bonds (distance) P-C4' energy: -11.545 flat angles C4'-P-C4' energy: -10.925 flat angles P-C4'-P energy: -7.023 tors. eta vs tors. theta energy: -10.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -62.866981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.866981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.866981 (E_RNA) where: Base-Base interactions energy: -24.767 where: short stacking energy: -18.903 Base-Backbone interact. energy: -0.101 local terms energy: -37.999382 where: bonds (distance) C4'-P energy: -9.541 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -12.724 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -58.709358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.709358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.709358 (E_RNA) where: Base-Base interactions energy: -16.997 where: short stacking energy: -16.283 Base-Backbone interact. energy: -0.148 local terms energy: -41.563593 where: bonds (distance) C4'-P energy: -12.332 bonds (distance) P-C4' energy: -10.589 flat angles C4'-P-C4' energy: -12.428 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: 2.531 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: 116 Temperature: 0.900000 Total energy: -187.066726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.066726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.066726 (E_RNA) where: Base-Base interactions energy: -127.870 where: short stacking energy: -57.569 Base-Backbone interact. energy: -0.081 local terms energy: -59.115885 where: bonds (distance) C4'-P energy: -12.278 bonds (distance) P-C4' energy: -14.077 flat angles C4'-P-C4' energy: -12.376 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -15.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -186.574820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.574820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.574820 (E_RNA) where: Base-Base interactions energy: -125.124 where: short stacking energy: -50.392 Base-Backbone interact. energy: -0.496 local terms energy: -60.954719 where: bonds (distance) C4'-P energy: -11.106 bonds (distance) P-C4' energy: -11.341 flat angles C4'-P-C4' energy: -14.777 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -14.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -182.233830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.233830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.233830 (E_RNA) where: Base-Base interactions energy: -125.970 where: short stacking energy: -50.254 Base-Backbone interact. energy: -1.197 local terms energy: -55.067692 where: bonds (distance) C4'-P energy: -8.311 bonds (distance) P-C4' energy: -11.663 flat angles C4'-P-C4' energy: -10.706 flat angles P-C4'-P energy: -8.830 tors. eta vs tors. theta energy: -15.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -182.178133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.178133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.178133 (E_RNA) where: Base-Base interactions energy: -128.794 where: short stacking energy: -51.666 Base-Backbone interact. energy: -0.157 local terms energy: -53.226839 where: bonds (distance) C4'-P energy: -7.570 bonds (distance) P-C4' energy: -13.312 flat angles C4'-P-C4' energy: -12.030 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: -16.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -168.632877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.632877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.632877 (E_RNA) where: Base-Base interactions energy: -108.789 where: short stacking energy: -42.431 Base-Backbone interact. energy: -0.250 local terms energy: -59.593614 where: bonds (distance) C4'-P energy: -10.638 bonds (distance) P-C4' energy: -13.523 flat angles C4'-P-C4' energy: -12.972 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -14.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -171.655473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.655473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.655473 (E_RNA) where: Base-Base interactions energy: -116.045 where: short stacking energy: -47.036 Base-Backbone interact. energy: 0.751 local terms energy: -56.361055 where: bonds (distance) C4'-P energy: -11.318 bonds (distance) P-C4' energy: -12.517 flat angles C4'-P-C4' energy: -10.651 flat angles P-C4'-P energy: -7.233 tors. eta vs tors. theta energy: -14.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -170.504613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.504613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.504613 (E_RNA) where: Base-Base interactions energy: -120.405 where: short stacking energy: -47.837 Base-Backbone interact. energy: -0.001 local terms energy: -50.098734 where: bonds (distance) C4'-P energy: -9.766 bonds (distance) P-C4' energy: -10.866 flat angles C4'-P-C4' energy: -12.514 flat angles P-C4'-P energy: -5.663 tors. eta vs tors. theta energy: -11.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -153.818850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.818850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.818850 (E_RNA) where: Base-Base interactions energy: -104.828 where: short stacking energy: -40.153 Base-Backbone interact. energy: -0.992 local terms energy: -47.998554 where: bonds (distance) C4'-P energy: -7.513 bonds (distance) P-C4' energy: -11.429 flat angles C4'-P-C4' energy: -13.547 flat angles P-C4'-P energy: -6.655 tors. eta vs tors. theta energy: -8.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -73.373465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.373465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.373465 (E_RNA) where: Base-Base interactions energy: -35.902 where: short stacking energy: -23.243 Base-Backbone interact. energy: -0.158 local terms energy: -37.313664 where: bonds (distance) C4'-P energy: -7.529 bonds (distance) P-C4' energy: -11.488 flat angles C4'-P-C4' energy: -8.719 flat angles P-C4'-P energy: -5.656 tors. eta vs tors. theta energy: -3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -73.148737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.148737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.148737 (E_RNA) where: Base-Base interactions energy: -28.067 where: short stacking energy: -22.553 Base-Backbone interact. energy: 0.496 local terms energy: -45.577879 where: bonds (distance) C4'-P energy: -11.772 bonds (distance) P-C4' energy: -10.821 flat angles C4'-P-C4' energy: -9.532 flat angles P-C4'-P energy: -9.114 tors. eta vs tors. theta energy: -4.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -193.082341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.082341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.082341 (E_RNA) where: Base-Base interactions energy: -127.617 where: short stacking energy: -53.936 Base-Backbone interact. energy: -0.006 local terms energy: -65.458586 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -12.792 flat angles P-C4'-P energy: -10.169 tors. eta vs tors. theta energy: -14.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -188.263978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.263978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.263978 (E_RNA) where: Base-Base interactions energy: -124.765 where: short stacking energy: -51.599 Base-Backbone interact. energy: -0.617 local terms energy: -62.881598 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -12.681 flat angles C4'-P-C4' energy: -13.172 flat angles P-C4'-P energy: -10.598 tors. eta vs tors. theta energy: -14.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -181.571082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.571082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.571082 (E_RNA) where: Base-Base interactions energy: -124.450 where: short stacking energy: -52.641 Base-Backbone interact. energy: -0.166 local terms energy: -56.955195 where: bonds (distance) C4'-P energy: -11.322 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -10.403 flat angles P-C4'-P energy: -8.948 tors. eta vs tors. theta energy: -12.051 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: 4, replica: 4 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -178.268048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.268048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.268048 (E_RNA) where: Base-Base interactions energy: -119.046 where: short stacking energy: -46.643 Base-Backbone interact. energy: -0.000 local terms energy: -59.221639 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -11.051 flat angles C4'-P-C4' energy: -14.344 flat angles P-C4'-P energy: -7.974 tors. eta vs tors. theta energy: -12.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -173.367314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.367314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.367314 (E_RNA) where: Base-Base interactions energy: -115.153 where: short stacking energy: -49.155 Base-Backbone interact. energy: -0.880 local terms energy: -57.334196 where: bonds (distance) C4'-P energy: -12.230 bonds (distance) P-C4' energy: -14.358 flat angles C4'-P-C4' energy: -10.452 flat angles P-C4'-P energy: -8.777 tors. eta vs tors. theta energy: -11.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -179.790031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.790031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.790031 (E_RNA) where: Base-Base interactions energy: -124.404 where: short stacking energy: -56.913 Base-Backbone interact. energy: -0.039 local terms energy: -55.346927 where: bonds (distance) C4'-P energy: -10.071 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -12.252 flat angles P-C4'-P energy: -1.879 tors. eta vs tors. theta energy: -17.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -172.385458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.385458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.385458 (E_RNA) where: Base-Base interactions energy: -121.236 where: short stacking energy: -42.460 Base-Backbone interact. energy: -0.002 local terms energy: -51.146863 where: bonds (distance) C4'-P energy: -10.974 bonds (distance) P-C4' energy: -10.119 flat angles C4'-P-C4' energy: -11.567 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -13.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -166.484679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.484679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.484679 (E_RNA) where: Base-Base interactions energy: -111.832 where: short stacking energy: -40.007 Base-Backbone interact. energy: -0.125 local terms energy: -54.527726 where: bonds (distance) C4'-P energy: -10.568 bonds (distance) P-C4' energy: -13.304 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -8.236 tors. eta vs tors. theta energy: -14.399 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: 1 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -92.762131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.762131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.762131 (E_RNA) where: Base-Base interactions energy: -44.225 where: short stacking energy: -25.541 Base-Backbone interact. energy: -0.320 local terms energy: -48.217411 where: bonds (distance) C4'-P energy: -10.829 bonds (distance) P-C4' energy: -11.948 flat angles C4'-P-C4' energy: -12.044 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -8.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -62.550052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.550052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.550052 (E_RNA) where: Base-Base interactions energy: -28.030 where: short stacking energy: -22.751 Base-Backbone interact. energy: -0.183 local terms energy: -34.336795 where: bonds (distance) C4'-P energy: -10.128 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -10.185 flat angles P-C4'-P energy: -6.079 tors. eta vs tors. theta energy: -1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -197.028190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.028190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.028190 (E_RNA) where: Base-Base interactions energy: -134.752 where: short stacking energy: -58.397 Base-Backbone interact. energy: -0.001 local terms energy: -62.274690 where: bonds (distance) C4'-P energy: -12.821 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -10.802 flat angles P-C4'-P energy: -7.477 tors. eta vs tors. theta energy: -17.209 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: 2, replica: 9 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -190.021342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.021342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.021342 (E_RNA) where: Base-Base interactions energy: -127.199 where: short stacking energy: -50.865 Base-Backbone interact. energy: -0.104 local terms energy: -62.718243 where: bonds (distance) C4'-P energy: -11.815 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -12.521 flat angles P-C4'-P energy: -8.430 tors. eta vs tors. theta energy: -16.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -178.063010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.063010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.063010 (E_RNA) where: Base-Base interactions energy: -124.355 where: short stacking energy: -48.369 Base-Backbone interact. energy: -0.020 local terms energy: -53.687788 where: bonds (distance) C4'-P energy: -9.797 bonds (distance) P-C4' energy: -12.380 flat angles C4'-P-C4' energy: -12.053 flat angles P-C4'-P energy: -6.973 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: 4, replica: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -171.048576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.048576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.048576 (E_RNA) where: Base-Base interactions energy: -114.517 where: short stacking energy: -46.355 Base-Backbone interact. energy: -0.502 local terms energy: -56.029594 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -8.617 flat angles C4'-P-C4' energy: -12.084 flat angles P-C4'-P energy: -8.714 tors. eta vs tors. theta energy: -12.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -166.063801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.063801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.063801 (E_RNA) where: Base-Base interactions energy: -113.908 where: short stacking energy: -46.447 Base-Backbone interact. energy: -0.020 local terms energy: -52.136374 where: bonds (distance) C4'-P energy: -13.039 bonds (distance) P-C4' energy: -12.227 flat angles C4'-P-C4' energy: -10.207 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -10.384 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: 2 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -168.648614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.648614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.648614 (E_RNA) where: Base-Base interactions energy: -120.999 where: short stacking energy: -40.162 Base-Backbone interact. energy: -0.711 local terms energy: -46.937956 where: bonds (distance) C4'-P energy: -11.451 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -8.682 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -7.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -175.505122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.505122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.505122 (E_RNA) where: Base-Base interactions energy: -117.637 where: short stacking energy: -47.356 Base-Backbone interact. energy: -0.000 local terms energy: -57.867956 where: bonds (distance) C4'-P energy: -11.744 bonds (distance) P-C4' energy: -11.173 flat angles C4'-P-C4' energy: -12.383 flat angles P-C4'-P energy: -7.620 tors. eta vs tors. theta energy: -14.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -166.562528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.562528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.562528 (E_RNA) where: Base-Base interactions energy: -117.397 where: short stacking energy: -44.001 Base-Backbone interact. energy: 1.726 local terms energy: -50.891158 where: bonds (distance) C4'-P energy: -10.568 bonds (distance) P-C4' energy: -9.903 flat angles C4'-P-C4' energy: -8.497 flat angles P-C4'-P energy: -10.196 tors. eta vs tors. theta energy: -11.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -67.381849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.381849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.381849 (E_RNA) where: Base-Base interactions energy: -25.846 where: short stacking energy: -19.283 Base-Backbone interact. energy: -0.082 local terms energy: -41.453278 where: bonds (distance) C4'-P energy: -11.171 bonds (distance) P-C4' energy: -10.897 flat angles C4'-P-C4' energy: -9.659 flat angles P-C4'-P energy: -5.931 tors. eta vs tors. theta energy: -3.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -63.103082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.103082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.103082 (E_RNA) where: Base-Base interactions energy: -21.765 where: short stacking energy: -17.028 Base-Backbone interact. energy: -0.394 local terms energy: -40.944170 where: bonds (distance) C4'-P energy: -12.389 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -8.577 flat angles P-C4'-P energy: -9.133 tors. eta vs tors. theta energy: -2.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -189.946345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.946345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.946345 (E_RNA) where: Base-Base interactions energy: -126.872 where: short stacking energy: -50.559 Base-Backbone interact. energy: -0.601 local terms energy: -62.473894 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -12.801 flat angles P-C4'-P energy: -9.051 tors. eta vs tors. theta energy: -14.879 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: 2, replica: 5 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -189.833603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.833603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.833603 (E_RNA) where: Base-Base interactions energy: -132.552 where: short stacking energy: -48.419 Base-Backbone interact. energy: -0.016 local terms energy: -57.265413 where: bonds (distance) C4'-P energy: -11.836 bonds (distance) P-C4' energy: -10.948 flat angles C4'-P-C4' energy: -13.347 flat angles P-C4'-P energy: -7.484 tors. eta vs tors. theta energy: -13.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -181.230326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.230326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.230326 (E_RNA) where: Base-Base interactions energy: -120.665 where: short stacking energy: -48.180 Base-Backbone interact. energy: -0.377 local terms energy: -60.187993 where: bonds (distance) C4'-P energy: -12.563 bonds (distance) P-C4' energy: -13.212 flat angles C4'-P-C4' energy: -14.368 flat angles P-C4'-P energy: -6.335 tors. eta vs tors. theta energy: -13.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -186.345516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.345516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.345516 (E_RNA) where: Base-Base interactions energy: -127.356 where: short stacking energy: -50.937 Base-Backbone interact. energy: 0.692 local terms energy: -59.681481 where: bonds (distance) C4'-P energy: -14.207 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -9.717 flat angles P-C4'-P energy: -8.917 tors. eta vs tors. theta energy: -13.790 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: 3 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -172.897437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.897437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.897437 (E_RNA) where: Base-Base interactions energy: -115.434 where: short stacking energy: -43.540 Base-Backbone interact. energy: 0.225 local terms energy: -57.688620 where: bonds (distance) C4'-P energy: -10.863 bonds (distance) P-C4' energy: -10.840 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -10.638 tors. eta vs tors. theta energy: -11.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -175.998895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.998895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.998895 (E_RNA) where: Base-Base interactions energy: -117.874 where: short stacking energy: -47.974 Base-Backbone interact. energy: -0.001 local terms energy: -58.124394 where: bonds (distance) C4'-P energy: -12.556 bonds (distance) P-C4' energy: -11.746 flat angles C4'-P-C4' energy: -11.846 flat angles P-C4'-P energy: -8.947 tors. eta vs tors. theta energy: -13.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -169.555423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.555423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.555423 (E_RNA) where: Base-Base interactions energy: -119.857 where: short stacking energy: -44.888 Base-Backbone interact. energy: -0.106 local terms energy: -49.592296 where: bonds (distance) C4'-P energy: -9.545 bonds (distance) P-C4' energy: -8.591 flat angles C4'-P-C4' energy: -11.813 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -11.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -170.684841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.684841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.684841 (E_RNA) where: Base-Base interactions energy: -117.807 where: short stacking energy: -50.133 Base-Backbone interact. energy: -0.000 local terms energy: -52.877470 where: bonds (distance) C4'-P energy: -12.195 bonds (distance) P-C4' energy: -10.823 flat angles C4'-P-C4' energy: -8.525 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: -16.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -63.589753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.589753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.589753 (E_RNA) where: Base-Base interactions energy: -22.760 where: short stacking energy: -22.760 Base-Backbone interact. energy: -0.105 local terms energy: -40.724829 where: bonds (distance) C4'-P energy: -7.616 bonds (distance) P-C4' energy: -10.994 flat angles C4'-P-C4' energy: -11.693 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -5.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -66.019172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.019172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.019172 (E_RNA) where: Base-Base interactions energy: -27.121 where: short stacking energy: -17.647 Base-Backbone interact. energy: 1.956 local terms energy: -40.853395 where: bonds (distance) C4'-P energy: -12.192 bonds (distance) P-C4' energy: -11.480 flat angles C4'-P-C4' energy: -12.081 flat angles P-C4'-P energy: -2.789 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: 1, replica: 5 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -192.158083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.158083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.158083 (E_RNA) where: Base-Base interactions energy: -132.784 where: short stacking energy: -47.677 Base-Backbone interact. energy: -0.010 local terms energy: -59.364146 where: bonds (distance) C4'-P energy: -13.127 bonds (distance) P-C4' energy: -12.489 flat angles C4'-P-C4' energy: -12.682 flat angles P-C4'-P energy: -5.478 tors. eta vs tors. theta energy: -15.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -185.679959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.679959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.679959 (E_RNA) where: Base-Base interactions energy: -122.304 where: short stacking energy: -51.218 Base-Backbone interact. energy: -0.003 local terms energy: -63.373438 where: bonds (distance) C4'-P energy: -8.722 bonds (distance) P-C4' energy: -14.561 flat angles C4'-P-C4' energy: -13.802 flat angles P-C4'-P energy: -9.928 tors. eta vs tors. theta energy: -16.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -181.880827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.880827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.880827 (E_RNA) where: Base-Base interactions energy: -125.929 where: short stacking energy: -51.309 Base-Backbone interact. energy: -0.036 local terms energy: -55.915410 where: bonds (distance) C4'-P energy: -10.700 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -8.473 flat angles P-C4'-P energy: -8.396 tors. eta vs tors. theta energy: -15.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -180.485235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.485235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.485235 (E_RNA) where: Base-Base interactions energy: -122.764 where: short stacking energy: -46.576 Base-Backbone interact. energy: -0.522 local terms energy: -57.199777 where: bonds (distance) C4'-P energy: -13.756 bonds (distance) P-C4' energy: -13.186 flat angles C4'-P-C4' energy: -10.315 flat angles P-C4'-P energy: -5.956 tors. eta vs tors. theta energy: -13.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -175.858931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.858931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.858931 (E_RNA) where: Base-Base interactions energy: -117.294 where: short stacking energy: -38.362 Base-Backbone interact. energy: -0.124 local terms energy: -58.440729 where: bonds (distance) C4'-P energy: -10.141 bonds (distance) P-C4' energy: -10.577 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -8.760 tors. eta vs tors. theta energy: -15.444 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: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -170.863252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.863252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.863252 (E_RNA) where: Base-Base interactions energy: -117.533 where: short stacking energy: -46.721 Base-Backbone interact. energy: -0.679 local terms energy: -52.651791 where: bonds (distance) C4'-P energy: -8.738 bonds (distance) P-C4' energy: -10.549 flat angles C4'-P-C4' energy: -13.341 flat angles P-C4'-P energy: -7.842 tors. eta vs tors. theta energy: -12.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -168.085667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.085667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.085667 (E_RNA) where: Base-Base interactions energy: -113.978 where: short stacking energy: -44.620 Base-Backbone interact. energy: -0.039 local terms energy: -54.068949 where: bonds (distance) C4'-P energy: -10.080 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -9.372 flat angles P-C4'-P energy: -8.311 tors. eta vs tors. theta energy: -12.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -172.160690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.160690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.160690 (E_RNA) where: Base-Base interactions energy: -116.730 where: short stacking energy: -45.098 Base-Backbone interact. energy: -0.004 local terms energy: -55.427074 where: bonds (distance) C4'-P energy: -11.596 bonds (distance) P-C4' energy: -11.740 flat angles C4'-P-C4' energy: -12.384 flat angles P-C4'-P energy: -8.233 tors. eta vs tors. theta energy: -11.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -78.533116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.533116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.533116 (E_RNA) where: Base-Base interactions energy: -30.833 where: short stacking energy: -25.873 Base-Backbone interact. energy: -0.132 local terms energy: -47.568043 where: bonds (distance) C4'-P energy: -8.036 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -11.857 flat angles P-C4'-P energy: -8.322 tors. eta vs tors. theta energy: -6.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -68.652772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.652772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.652772 (E_RNA) where: Base-Base interactions energy: -29.573 where: short stacking energy: -29.573 Base-Backbone interact. energy: 0.727 local terms energy: -39.806816 where: bonds (distance) C4'-P energy: -13.550 bonds (distance) P-C4' energy: -10.225 flat angles C4'-P-C4' energy: -9.722 flat angles P-C4'-P energy: -2.424 tors. eta vs tors. theta energy: -3.886 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: 5 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -190.410914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.410914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.410914 (E_RNA) where: Base-Base interactions energy: -130.074 where: short stacking energy: -52.897 Base-Backbone interact. energy: -0.014 local terms energy: -60.322479 where: bonds (distance) C4'-P energy: -11.053 bonds (distance) P-C4' energy: -12.774 flat angles C4'-P-C4' energy: -13.462 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: -16.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -190.021271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.021271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.021271 (E_RNA) where: Base-Base interactions energy: -134.470 where: short stacking energy: -54.642 Base-Backbone interact. energy: -0.080 local terms energy: -55.471248 where: bonds (distance) C4'-P energy: -9.602 bonds (distance) P-C4' energy: -10.237 flat angles C4'-P-C4' energy: -12.604 flat angles P-C4'-P energy: -5.846 tors. eta vs tors. theta energy: -17.182 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: 4 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -187.295637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.295637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.295637 (E_RNA) where: Base-Base interactions energy: -122.921 where: short stacking energy: -48.529 Base-Backbone interact. energy: -0.020 local terms energy: -64.354977 where: bonds (distance) C4'-P energy: -11.362 bonds (distance) P-C4' energy: -13.512 flat angles C4'-P-C4' energy: -12.419 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -16.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -182.577860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.577860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.577860 (E_RNA) where: Base-Base interactions energy: -126.022 where: short stacking energy: -47.714 Base-Backbone interact. energy: -0.044 local terms energy: -56.511160 where: bonds (distance) C4'-P energy: -8.422 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -14.466 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -15.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -174.049897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.049897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.049897 (E_RNA) where: Base-Base interactions energy: -116.479 where: short stacking energy: -43.493 Base-Backbone interact. energy: -0.104 local terms energy: -57.466699 where: bonds (distance) C4'-P energy: -13.710 bonds (distance) P-C4' energy: -12.403 flat angles C4'-P-C4' energy: -12.602 flat angles P-C4'-P energy: -8.531 tors. eta vs tors. theta energy: -10.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -175.290825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.290825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.290825 (E_RNA) where: Base-Base interactions energy: -123.995 where: short stacking energy: -48.490 Base-Backbone interact. energy: -0.457 local terms energy: -50.839279 where: bonds (distance) C4'-P energy: -10.488 bonds (distance) P-C4' energy: -9.871 flat angles C4'-P-C4' energy: -9.383 flat angles P-C4'-P energy: -11.401 tors. eta vs tors. theta energy: -9.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -170.038215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.038215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.038215 (E_RNA) where: Base-Base interactions energy: -114.241 where: short stacking energy: -43.507 Base-Backbone interact. energy: -0.668 local terms energy: -55.129067 where: bonds (distance) C4'-P energy: -12.421 bonds (distance) P-C4' energy: -9.564 flat angles C4'-P-C4' energy: -12.102 flat angles P-C4'-P energy: -8.973 tors. eta vs tors. theta energy: -12.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -168.052901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.052901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.052901 (E_RNA) where: Base-Base interactions energy: -118.719 where: short stacking energy: -41.820 Base-Backbone interact. energy: -0.010 local terms energy: -49.323894 where: bonds (distance) C4'-P energy: -8.328 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -8.280 tors. eta vs tors. theta energy: -12.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -74.903065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.903065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.903065 (E_RNA) where: Base-Base interactions energy: -31.201 where: short stacking energy: -18.875 Base-Backbone interact. energy: -0.089 local terms energy: -43.613142 where: bonds (distance) C4'-P energy: -14.005 bonds (distance) P-C4' energy: -9.207 flat angles C4'-P-C4' energy: -12.163 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -1.921 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: 121 Temperature: 1.350000 Total energy: -56.501658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.501658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.501658 (E_RNA) where: Base-Base interactions energy: -18.642 where: short stacking energy: -18.178 Base-Backbone interact. energy: -0.180 local terms energy: -37.679484 where: bonds (distance) C4'-P energy: -10.725 bonds (distance) P-C4' energy: -13.773 flat angles C4'-P-C4' energy: -7.212 flat angles P-C4'-P energy: -7.399 tors. eta vs tors. theta energy: 1.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -186.707355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.707355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.707355 (E_RNA) where: Base-Base interactions energy: -123.254 where: short stacking energy: -53.907 Base-Backbone interact. energy: -0.017 local terms energy: -63.436281 where: bonds (distance) C4'-P energy: -12.329 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -13.541 flat angles P-C4'-P energy: -7.375 tors. eta vs tors. theta energy: -15.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -178.946493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.946493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.946493 (E_RNA) where: Base-Base interactions energy: -121.041 where: short stacking energy: -43.479 Base-Backbone interact. energy: -0.060 local terms energy: -57.845792 where: bonds (distance) C4'-P energy: -12.254 bonds (distance) P-C4' energy: -10.214 flat angles C4'-P-C4' energy: -14.244 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -16.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -178.650145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.650145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.650145 (E_RNA) where: Base-Base interactions energy: -127.461 where: short stacking energy: -51.946 Base-Backbone interact. energy: 0.821 local terms energy: -52.010885 where: bonds (distance) C4'-P energy: -8.766 bonds (distance) P-C4' energy: -10.413 flat angles C4'-P-C4' energy: -11.432 flat angles P-C4'-P energy: -5.696 tors. eta vs tors. theta energy: -15.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -186.513354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.513354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.513354 (E_RNA) where: Base-Base interactions energy: -127.564 where: short stacking energy: -49.148 Base-Backbone interact. energy: -0.154 local terms energy: -58.795375 where: bonds (distance) C4'-P energy: -12.713 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -10.419 flat angles P-C4'-P energy: -6.297 tors. eta vs tors. theta energy: -16.021 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: 10 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -179.710597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.710597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.710597 (E_RNA) where: Base-Base interactions energy: -123.075 where: short stacking energy: -52.160 Base-Backbone interact. energy: -0.167 local terms energy: -56.469271 where: bonds (distance) C4'-P energy: -11.542 bonds (distance) P-C4' energy: -13.171 flat angles C4'-P-C4' energy: -14.618 flat angles P-C4'-P energy: -1.953 tors. eta vs tors. theta energy: -15.185 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: 9 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -175.729260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.729260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.729260 (E_RNA) where: Base-Base interactions energy: -121.057 where: short stacking energy: -51.300 Base-Backbone interact. energy: -0.002 local terms energy: -54.670356 where: bonds (distance) C4'-P energy: -14.530 bonds (distance) P-C4' energy: -7.599 flat angles C4'-P-C4' energy: -12.348 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -16.025 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: 2 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -164.952736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.952736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.952736 (E_RNA) where: Base-Base interactions energy: -116.484 where: short stacking energy: -46.510 Base-Backbone interact. energy: -1.071 local terms energy: -47.398097 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -13.095 flat angles C4'-P-C4' energy: -13.189 flat angles P-C4'-P energy: -6.340 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: 8, replica: 3 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -156.128622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.128622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.128622 (E_RNA) where: Base-Base interactions energy: -108.143 where: short stacking energy: -43.741 Base-Backbone interact. energy: -0.092 local terms energy: -47.893538 where: bonds (distance) C4'-P energy: -10.923 bonds (distance) P-C4' energy: -10.464 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -10.181 tors. eta vs tors. theta energy: -8.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -62.749300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.749300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.749300 (E_RNA) where: Base-Base interactions energy: -21.368 where: short stacking energy: -11.515 Base-Backbone interact. energy: -0.139 local terms energy: -41.242029 where: bonds (distance) C4'-P energy: -7.964 bonds (distance) P-C4' energy: -10.375 flat angles C4'-P-C4' energy: -13.206 flat angles P-C4'-P energy: -7.450 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -63.580761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.580761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.580761 (E_RNA) where: Base-Base interactions energy: -21.099 where: short stacking energy: -19.121 Base-Backbone interact. energy: -0.665 local terms energy: -41.816642 where: bonds (distance) C4'-P energy: -8.932 bonds (distance) P-C4' energy: -6.286 flat angles C4'-P-C4' energy: -9.904 flat angles P-C4'-P energy: -12.026 tors. eta vs tors. theta energy: -4.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -192.780640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.780640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.780640 (E_RNA) where: Base-Base interactions energy: -129.922 where: short stacking energy: -56.834 Base-Backbone interact. energy: -0.111 local terms energy: -62.747663 where: bonds (distance) C4'-P energy: -14.356 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -13.677 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -17.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -186.863093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.863093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.863093 (E_RNA) where: Base-Base interactions energy: -126.642 where: short stacking energy: -50.604 Base-Backbone interact. energy: -0.003 local terms energy: -60.218590 where: bonds (distance) C4'-P energy: -13.756 bonds (distance) P-C4' energy: -10.815 flat angles C4'-P-C4' energy: -13.795 flat angles P-C4'-P energy: -7.686 tors. eta vs tors. theta energy: -14.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -187.362024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.362024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.362024 (E_RNA) where: Base-Base interactions energy: -127.075 where: short stacking energy: -45.769 Base-Backbone interact. energy: -0.671 local terms energy: -59.615643 where: bonds (distance) C4'-P energy: -11.276 bonds (distance) P-C4' energy: -12.282 flat angles C4'-P-C4' energy: -12.413 flat angles P-C4'-P energy: -10.185 tors. eta vs tors. theta energy: -13.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -174.373081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.373081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.373081 (E_RNA) where: Base-Base interactions energy: -119.818 where: short stacking energy: -46.579 Base-Backbone interact. energy: -0.041 local terms energy: -54.514502 where: bonds (distance) C4'-P energy: -10.510 bonds (distance) P-C4' energy: -11.397 flat angles C4'-P-C4' energy: -11.997 flat angles P-C4'-P energy: -7.901 tors. eta vs tors. theta energy: -12.710 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: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -176.866396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.866396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.866396 (E_RNA) where: Base-Base interactions energy: -116.572 where: short stacking energy: -44.169 Base-Backbone interact. energy: -0.325 local terms energy: -59.969028 where: bonds (distance) C4'-P energy: -12.476 bonds (distance) P-C4' energy: -11.619 flat angles C4'-P-C4' energy: -11.220 flat angles P-C4'-P energy: -10.828 tors. eta vs tors. theta energy: -13.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -180.685173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.685173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.685173 (E_RNA) where: Base-Base interactions energy: -124.789 where: short stacking energy: -52.838 Base-Backbone interact. energy: -0.086 local terms energy: -55.809999 where: bonds (distance) C4'-P energy: -9.198 bonds (distance) P-C4' energy: -13.100 flat angles C4'-P-C4' energy: -14.332 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -12.761 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: 9 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -172.572176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.572176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.572176 (E_RNA) where: Base-Base interactions energy: -117.940 where: short stacking energy: -44.853 Base-Backbone interact. energy: -0.815 local terms energy: -53.817046 where: bonds (distance) C4'-P energy: -9.189 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -10.744 flat angles P-C4'-P energy: -6.987 tors. eta vs tors. theta energy: -13.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -165.518764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.518764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.518764 (E_RNA) where: Base-Base interactions energy: -105.562 where: short stacking energy: -42.180 Base-Backbone interact. energy: -0.353 local terms energy: -59.603755 where: bonds (distance) C4'-P energy: -11.039 bonds (distance) P-C4' energy: -12.831 flat angles C4'-P-C4' energy: -13.092 flat angles P-C4'-P energy: -8.252 tors. eta vs tors. theta energy: -14.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -67.755170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.755170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.755170 (E_RNA) where: Base-Base interactions energy: -27.352 where: short stacking energy: -27.352 Base-Backbone interact. energy: -0.004 local terms energy: -40.398482 where: bonds (distance) C4'-P energy: -10.586 bonds (distance) P-C4' energy: -10.815 flat angles C4'-P-C4' energy: -9.338 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -4.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -63.875738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.875738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.875738 (E_RNA) where: Base-Base interactions energy: -19.937 where: short stacking energy: -19.937 Base-Backbone interact. energy: -0.129 local terms energy: -43.810100 where: bonds (distance) C4'-P energy: -12.933 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -12.110 flat angles P-C4'-P energy: -9.559 tors. eta vs tors. theta energy: 1.665 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: 6 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -189.213530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.213530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.213530 (E_RNA) where: Base-Base interactions energy: -126.960 where: short stacking energy: -47.079 Base-Backbone interact. energy: -0.001 local terms energy: -62.252621 where: bonds (distance) C4'-P energy: -11.723 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -13.864 flat angles P-C4'-P energy: -10.922 tors. eta vs tors. theta energy: -13.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -184.725577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.725577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.725577 (E_RNA) where: Base-Base interactions energy: -127.505 where: short stacking energy: -43.436 Base-Backbone interact. energy: -0.010 local terms energy: -57.210831 where: bonds (distance) C4'-P energy: -9.433 bonds (distance) P-C4' energy: -11.047 flat angles C4'-P-C4' energy: -12.556 flat angles P-C4'-P energy: -7.456 tors. eta vs tors. theta energy: -16.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -186.144930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.144930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.144930 (E_RNA) where: Base-Base interactions energy: -125.700 where: short stacking energy: -54.608 Base-Backbone interact. energy: -0.074 local terms energy: -60.370524 where: bonds (distance) C4'-P energy: -11.190 bonds (distance) P-C4' energy: -10.999 flat angles C4'-P-C4' energy: -12.688 flat angles P-C4'-P energy: -8.272 tors. eta vs tors. theta energy: -17.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -180.519413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.519413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.519413 (E_RNA) where: Base-Base interactions energy: -126.761 where: short stacking energy: -54.216 Base-Backbone interact. energy: -0.000 local terms energy: -53.757478 where: bonds (distance) C4'-P energy: -10.447 bonds (distance) P-C4' energy: -8.829 flat angles C4'-P-C4' energy: -10.953 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -16.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -177.265343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.265343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.265343 (E_RNA) where: Base-Base interactions energy: -123.143 where: short stacking energy: -49.942 Base-Backbone interact. energy: -0.100 local terms energy: -54.021483 where: bonds (distance) C4'-P energy: -12.138 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -12.158 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -16.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -170.368137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.368137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.368137 (E_RNA) where: Base-Base interactions energy: -112.357 where: short stacking energy: -46.126 Base-Backbone interact. energy: -0.127 local terms energy: -57.884247 where: bonds (distance) C4'-P energy: -11.251 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -13.855 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: -12.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -171.263743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.263743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.263743 (E_RNA) where: Base-Base interactions energy: -112.719 where: short stacking energy: -47.120 Base-Backbone interact. energy: -0.004 local terms energy: -58.540734 where: bonds (distance) C4'-P energy: -12.815 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -11.435 flat angles P-C4'-P energy: -7.352 tors. eta vs tors. theta energy: -13.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -175.850375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.850375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.850375 (E_RNA) where: Base-Base interactions energy: -116.929 where: short stacking energy: -47.503 Base-Backbone interact. energy: -0.160 local terms energy: -58.760809 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -9.874 flat angles P-C4'-P energy: -5.630 tors. eta vs tors. theta energy: -14.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -73.356644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.356644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.356644 (E_RNA) where: Base-Base interactions energy: -31.197 where: short stacking energy: -12.618 Base-Backbone interact. energy: -0.214 local terms energy: -41.945939 where: bonds (distance) C4'-P energy: -11.313 bonds (distance) P-C4' energy: -9.221 flat angles C4'-P-C4' energy: -11.719 flat angles P-C4'-P energy: -9.606 tors. eta vs tors. theta energy: -0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -63.581152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.581152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.581152 (E_RNA) where: Base-Base interactions energy: -20.127 where: short stacking energy: -15.499 Base-Backbone interact. energy: -0.011 local terms energy: -43.443081 where: bonds (distance) C4'-P energy: -11.467 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -10.380 flat angles P-C4'-P energy: -7.051 tors. eta vs tors. theta energy: -1.313 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: 6 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -185.679579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.679579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.679579 (E_RNA) where: Base-Base interactions energy: -123.536 where: short stacking energy: -54.335 Base-Backbone interact. energy: 0.187 local terms energy: -62.330623 where: bonds (distance) C4'-P energy: -14.679 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -11.863 flat angles P-C4'-P energy: -8.571 tors. eta vs tors. theta energy: -14.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -192.993626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.993626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.993626 (E_RNA) where: Base-Base interactions energy: -130.438 where: short stacking energy: -56.871 Base-Backbone interact. energy: -0.236 local terms energy: -62.320109 where: bonds (distance) C4'-P energy: -12.709 bonds (distance) P-C4' energy: -14.488 flat angles C4'-P-C4' energy: -12.103 flat angles P-C4'-P energy: -8.049 tors. eta vs tors. theta energy: -14.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -188.741377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.741377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.741377 (E_RNA) where: Base-Base interactions energy: -137.697 where: short stacking energy: -50.192 Base-Backbone interact. energy: -0.116 local terms energy: -50.928034 where: bonds (distance) C4'-P energy: -12.948 bonds (distance) P-C4' energy: -11.193 flat angles C4'-P-C4' energy: -10.364 flat angles P-C4'-P energy: -0.862 tors. eta vs tors. theta energy: -15.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -187.132492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.132492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.132492 (E_RNA) where: Base-Base interactions energy: -130.503 where: short stacking energy: -57.733 Base-Backbone interact. energy: -0.003 local terms energy: -56.626396 where: bonds (distance) C4'-P energy: -12.981 bonds (distance) P-C4' energy: -11.534 flat angles C4'-P-C4' energy: -12.754 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -15.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -175.634346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.634346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.634346 (E_RNA) where: Base-Base interactions energy: -117.061 where: short stacking energy: -46.719 Base-Backbone interact. energy: 1.096 local terms energy: -59.668877 where: bonds (distance) C4'-P energy: -10.957 bonds (distance) P-C4' energy: -13.143 flat angles C4'-P-C4' energy: -11.212 flat angles P-C4'-P energy: -9.775 tors. eta vs tors. theta energy: -14.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -173.417394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.417394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.417394 (E_RNA) where: Base-Base interactions energy: -120.397 where: short stacking energy: -47.720 Base-Backbone interact. energy: -0.667 local terms energy: -52.352993 where: bonds (distance) C4'-P energy: -9.828 bonds (distance) P-C4' energy: -9.875 flat angles C4'-P-C4' energy: -10.611 flat angles P-C4'-P energy: -7.717 tors. eta vs tors. theta energy: -14.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -165.636697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.636697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.636697 (E_RNA) where: Base-Base interactions energy: -117.939 where: short stacking energy: -41.682 Base-Backbone interact. energy: -0.001 local terms energy: -47.696771 where: bonds (distance) C4'-P energy: -9.269 bonds (distance) P-C4' energy: -7.831 flat angles C4'-P-C4' energy: -9.053 flat angles P-C4'-P energy: -6.479 tors. eta vs tors. theta energy: -15.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -168.894206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.894206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.894206 (E_RNA) where: Base-Base interactions energy: -111.773 where: short stacking energy: -39.168 Base-Backbone interact. energy: 0.093 local terms energy: -57.214587 where: bonds (distance) C4'-P energy: -11.950 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -13.747 flat angles P-C4'-P energy: -6.984 tors. eta vs tors. theta energy: -10.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -71.162648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.162648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.162648 (E_RNA) where: Base-Base interactions energy: -21.579 where: short stacking energy: -21.384 Base-Backbone interact. energy: -0.016 local terms energy: -49.567052 where: bonds (distance) C4'-P energy: -13.210 bonds (distance) P-C4' energy: -11.543 flat angles C4'-P-C4' energy: -9.889 flat angles P-C4'-P energy: -10.856 tors. eta vs tors. theta energy: -4.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -68.564807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.564807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.564807 (E_RNA) where: Base-Base interactions energy: -24.061 where: short stacking energy: -24.061 Base-Backbone interact. energy: -0.419 local terms energy: -44.085357 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -12.214 flat angles P-C4'-P energy: -6.177 tors. eta vs tors. theta energy: 0.534 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: 1, replica: 8 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -193.399684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.399684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.399684 (E_RNA) where: Base-Base interactions energy: -131.706 where: short stacking energy: -48.821 Base-Backbone interact. energy: -0.643 local terms energy: -61.050819 where: bonds (distance) C4'-P energy: -12.493 bonds (distance) P-C4' energy: -12.211 flat angles C4'-P-C4' energy: -12.654 flat angles P-C4'-P energy: -8.637 tors. eta vs tors. theta energy: -15.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -184.445874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.445874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.445874 (E_RNA) where: Base-Base interactions energy: -119.832 where: short stacking energy: -48.829 Base-Backbone interact. energy: 0.127 local terms energy: -64.740271 where: bonds (distance) C4'-P energy: -11.151 bonds (distance) P-C4' energy: -14.847 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -9.380 tors. eta vs tors. theta energy: -16.690 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: 2 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -185.090508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.090508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.090508 (E_RNA) where: Base-Base interactions energy: -121.992 where: short stacking energy: -43.997 Base-Backbone interact. energy: -2.025 local terms energy: -61.073311 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -13.323 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -10.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -180.283539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.283539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.283539 (E_RNA) where: Base-Base interactions energy: -122.087 where: short stacking energy: -47.480 Base-Backbone interact. energy: -0.128 local terms energy: -58.068265 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -11.543 flat angles P-C4'-P energy: -9.035 tors. eta vs tors. theta energy: -17.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -178.779674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.779674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.779674 (E_RNA) where: Base-Base interactions energy: -117.009 where: short stacking energy: -49.754 Base-Backbone interact. energy: -0.536 local terms energy: -61.234970 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -9.574 flat angles P-C4'-P energy: -9.563 tors. eta vs tors. theta energy: -15.250 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: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -177.014391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.014391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.014391 (E_RNA) where: Base-Base interactions energy: -122.957 where: short stacking energy: -47.697 Base-Backbone interact. energy: -0.102 local terms energy: -53.955953 where: bonds (distance) C4'-P energy: -10.490 bonds (distance) P-C4' energy: -10.311 flat angles C4'-P-C4' energy: -12.280 flat angles P-C4'-P energy: -8.974 tors. eta vs tors. theta energy: -11.900 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: 7, replica: 9 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -168.766415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.766415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.766415 (E_RNA) where: Base-Base interactions energy: -109.785 where: short stacking energy: -46.079 Base-Backbone interact. energy: -0.004 local terms energy: -58.977813 where: bonds (distance) C4'-P energy: -11.686 bonds (distance) P-C4' energy: -12.509 flat angles C4'-P-C4' energy: -13.826 flat angles P-C4'-P energy: -8.667 tors. eta vs tors. theta energy: -12.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -165.508139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.508139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.508139 (E_RNA) where: Base-Base interactions energy: -109.605 where: short stacking energy: -45.722 Base-Backbone interact. energy: -0.499 local terms energy: -55.403610 where: bonds (distance) C4'-P energy: -13.003 bonds (distance) P-C4' energy: -8.477 flat angles C4'-P-C4' energy: -8.435 flat angles P-C4'-P energy: -9.690 tors. eta vs tors. theta energy: -15.798 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: 9, replica: 1 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -64.576780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.576780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.576780 (E_RNA) where: Base-Base interactions energy: -20.818 where: short stacking energy: -16.074 Base-Backbone interact. energy: -0.031 local terms energy: -43.727574 where: bonds (distance) C4'-P energy: -11.847 bonds (distance) P-C4' energy: -11.778 flat angles C4'-P-C4' energy: -9.700 flat angles P-C4'-P energy: -8.318 tors. eta vs tors. theta energy: -2.084 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: 126 Temperature: 1.350000 Total energy: -59.803960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.803960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.803960 (E_RNA) where: Base-Base interactions energy: -20.056 where: short stacking energy: -14.048 Base-Backbone interact. energy: -0.092 local terms energy: -39.656116 where: bonds (distance) C4'-P energy: -11.438 bonds (distance) P-C4' energy: -9.347 flat angles C4'-P-C4' energy: -11.334 flat angles P-C4'-P energy: -9.621 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: 8 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -194.751916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.751916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.751916 (E_RNA) where: Base-Base interactions energy: -133.482 where: short stacking energy: -56.726 Base-Backbone interact. energy: -0.011 local terms energy: -61.258973 where: bonds (distance) C4'-P energy: -14.405 bonds (distance) P-C4' energy: -11.254 flat angles C4'-P-C4' energy: -9.865 flat angles P-C4'-P energy: -10.913 tors. eta vs tors. theta energy: -14.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -186.361610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.361610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.361610 (E_RNA) where: Base-Base interactions energy: -131.044 where: short stacking energy: -50.359 Base-Backbone interact. energy: -0.243 local terms energy: -55.074500 where: bonds (distance) C4'-P energy: -10.646 bonds (distance) P-C4' energy: -10.638 flat angles C4'-P-C4' energy: -13.494 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -14.801 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: 6 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -180.166809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.166809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.166809 (E_RNA) where: Base-Base interactions energy: -119.084 where: short stacking energy: -46.471 Base-Backbone interact. energy: -0.036 local terms energy: -61.046374 where: bonds (distance) C4'-P energy: -11.579 bonds (distance) P-C4' energy: -12.234 flat angles C4'-P-C4' energy: -15.074 flat angles P-C4'-P energy: -9.297 tors. eta vs tors. theta energy: -12.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -179.415367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.415367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.415367 (E_RNA) where: Base-Base interactions energy: -120.739 where: short stacking energy: -51.921 Base-Backbone interact. energy: 0.745 local terms energy: -59.421875 where: bonds (distance) C4'-P energy: -12.022 bonds (distance) P-C4' energy: -12.038 flat angles C4'-P-C4' energy: -11.717 flat angles P-C4'-P energy: -9.563 tors. eta vs tors. theta energy: -14.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -175.474610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.474610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.474610 (E_RNA) where: Base-Base interactions energy: -115.659 where: short stacking energy: -46.261 Base-Backbone interact. energy: -0.004 local terms energy: -59.811603 where: bonds (distance) C4'-P energy: -12.663 bonds (distance) P-C4' energy: -11.485 flat angles C4'-P-C4' energy: -11.365 flat angles P-C4'-P energy: -8.673 tors. eta vs tors. theta energy: -15.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -172.556612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.556612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.556612 (E_RNA) where: Base-Base interactions energy: -118.984 where: short stacking energy: -46.892 Base-Backbone interact. energy: -0.553 local terms energy: -53.020257 where: bonds (distance) C4'-P energy: -10.070 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -12.533 flat angles P-C4'-P energy: -5.834 tors. eta vs tors. theta energy: -11.886 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: 3 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -171.427874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.427874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.427874 (E_RNA) where: Base-Base interactions energy: -115.107 where: short stacking energy: -48.409 Base-Backbone interact. energy: -0.001 local terms energy: -56.320429 where: bonds (distance) C4'-P energy: -12.829 bonds (distance) P-C4' energy: -12.212 flat angles C4'-P-C4' energy: -12.676 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -13.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -169.822446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.822446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.822446 (E_RNA) where: Base-Base interactions energy: -113.348 where: short stacking energy: -45.961 Base-Backbone interact. energy: -0.602 local terms energy: -55.872088 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -13.355 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -9.740 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: 127 Temperature: 1.300000 Total energy: -66.540509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.540509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.540509 (E_RNA) where: Base-Base interactions energy: -24.481 where: short stacking energy: -22.337 Base-Backbone interact. energy: -0.149 local terms energy: -41.911096 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -13.283 flat angles C4'-P-C4' energy: -11.309 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -0.057 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: 7 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -65.858940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.858940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.858940 (E_RNA) where: Base-Base interactions energy: -27.604 where: short stacking energy: -16.842 Base-Backbone interact. energy: -1.057 local terms energy: -37.197862 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -9.100 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -197.345004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.345004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.345004 (E_RNA) where: Base-Base interactions energy: -134.272 where: short stacking energy: -50.045 Base-Backbone interact. energy: -0.649 local terms energy: -62.424241 where: bonds (distance) C4'-P energy: -14.704 bonds (distance) P-C4' energy: -12.579 flat angles C4'-P-C4' energy: -14.145 flat angles P-C4'-P energy: -6.787 tors. eta vs tors. theta energy: -14.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -181.559234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.559234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.559234 (E_RNA) where: Base-Base interactions energy: -122.675 where: short stacking energy: -47.747 Base-Backbone interact. energy: -0.002 local terms energy: -58.882277 where: bonds (distance) C4'-P energy: -11.404 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -12.946 flat angles P-C4'-P energy: -7.856 tors. eta vs tors. theta energy: -14.285 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: 3, replica: 5 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -186.195467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.195467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.195467 (E_RNA) where: Base-Base interactions energy: -127.940 where: short stacking energy: -45.179 Base-Backbone interact. energy: -0.254 local terms energy: -58.001832 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -12.158 flat angles P-C4'-P energy: -7.289 tors. eta vs tors. theta energy: -12.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -175.995063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.995063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.995063 (E_RNA) where: Base-Base interactions energy: -125.464 where: short stacking energy: -46.057 Base-Backbone interact. energy: -0.126 local terms energy: -50.405279 where: bonds (distance) C4'-P energy: -10.870 bonds (distance) P-C4' energy: -11.034 flat angles C4'-P-C4' energy: -8.953 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: -14.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -176.107042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.107042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.107042 (E_RNA) where: Base-Base interactions energy: -128.216 where: short stacking energy: -47.688 Base-Backbone interact. energy: -0.167 local terms energy: -47.724290 where: bonds (distance) C4'-P energy: -10.457 bonds (distance) P-C4' energy: -9.865 flat angles C4'-P-C4' energy: -9.195 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -13.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -174.803732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.803732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.803732 (E_RNA) where: Base-Base interactions energy: -115.896 where: short stacking energy: -45.480 Base-Backbone interact. energy: -0.650 local terms energy: -58.257175 where: bonds (distance) C4'-P energy: -11.628 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -9.984 flat angles P-C4'-P energy: -7.510 tors. eta vs tors. theta energy: -16.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -162.410470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.410470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.410470 (E_RNA) where: Base-Base interactions energy: -115.142 where: short stacking energy: -43.505 Base-Backbone interact. energy: -0.602 local terms energy: -46.666591 where: bonds (distance) C4'-P energy: -14.108 bonds (distance) P-C4' energy: -4.613 flat angles C4'-P-C4' energy: -12.743 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -10.709 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: 3 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -158.366373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.366373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.366373 (E_RNA) where: Base-Base interactions energy: -118.036 where: short stacking energy: -46.529 Base-Backbone interact. energy: -0.045 local terms energy: -40.284751 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -10.188 flat angles C4'-P-C4' energy: -12.087 flat angles P-C4'-P energy: -1.972 tors. eta vs tors. theta energy: -9.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -70.205261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.205261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.205261 (E_RNA) where: Base-Base interactions energy: -23.504 where: short stacking energy: -21.622 Base-Backbone interact. energy: -0.116 local terms energy: -46.585164 where: bonds (distance) C4'-P energy: -12.315 bonds (distance) P-C4' energy: -11.314 flat angles C4'-P-C4' energy: -9.162 flat angles P-C4'-P energy: -9.373 tors. eta vs tors. theta energy: -4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -66.335730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.335730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.335730 (E_RNA) where: Base-Base interactions energy: -27.071 where: short stacking energy: -18.868 Base-Backbone interact. energy: -0.188 local terms energy: -39.077111 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -11.102 flat angles C4'-P-C4' energy: -12.133 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -3.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -191.497315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.497315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.497315 (E_RNA) where: Base-Base interactions energy: -128.690 where: short stacking energy: -52.799 Base-Backbone interact. energy: -0.920 local terms energy: -61.887920 where: bonds (distance) C4'-P energy: -11.650 bonds (distance) P-C4' energy: -13.184 flat angles C4'-P-C4' energy: -13.111 flat angles P-C4'-P energy: -9.424 tors. eta vs tors. theta energy: -14.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -181.177033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.177033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.177033 (E_RNA) where: Base-Base interactions energy: -118.654 where: short stacking energy: -52.860 Base-Backbone interact. energy: 0.164 local terms energy: -62.687279 where: bonds (distance) C4'-P energy: -11.190 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -13.961 flat angles P-C4'-P energy: -9.043 tors. eta vs tors. theta energy: -14.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -182.027020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.027020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.027020 (E_RNA) where: Base-Base interactions energy: -120.941 where: short stacking energy: -46.082 Base-Backbone interact. energy: -0.003 local terms energy: -61.083013 where: bonds (distance) C4'-P energy: -12.344 bonds (distance) P-C4' energy: -12.591 flat angles C4'-P-C4' energy: -12.279 flat angles P-C4'-P energy: -9.865 tors. eta vs tors. theta energy: -14.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -180.283828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.283828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.283828 (E_RNA) where: Base-Base interactions energy: -118.617 where: short stacking energy: -47.698 Base-Backbone interact. energy: -0.161 local terms energy: -61.506729 where: bonds (distance) C4'-P energy: -10.725 bonds (distance) P-C4' energy: -12.366 flat angles C4'-P-C4' energy: -12.401 flat angles P-C4'-P energy: -11.233 tors. eta vs tors. theta energy: -14.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -169.210068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.210068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.210068 (E_RNA) where: Base-Base interactions energy: -115.245 where: short stacking energy: -41.955 Base-Backbone interact. energy: -0.700 local terms energy: -53.264958 where: bonds (distance) C4'-P energy: -9.616 bonds (distance) P-C4' energy: -10.976 flat angles C4'-P-C4' energy: -12.291 flat angles P-C4'-P energy: -8.927 tors. eta vs tors. theta energy: -11.455 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: 4 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -168.339672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.339672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.339672 (E_RNA) where: Base-Base interactions energy: -120.861 where: short stacking energy: -46.706 Base-Backbone interact. energy: 0.880 local terms energy: -48.358638 where: bonds (distance) C4'-P energy: -10.141 bonds (distance) P-C4' energy: -8.918 flat angles C4'-P-C4' energy: -9.867 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -13.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -168.883914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.883914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.883914 (E_RNA) where: Base-Base interactions energy: -113.744 where: short stacking energy: -44.432 Base-Backbone interact. energy: 0.750 local terms energy: -55.889791 where: bonds (distance) C4'-P energy: -12.982 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -13.358 flat angles P-C4'-P energy: -10.064 tors. eta vs tors. theta energy: -11.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -160.537614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.537614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.537614 (E_RNA) where: Base-Base interactions energy: -108.473 where: short stacking energy: -42.702 Base-Backbone interact. energy: -0.131 local terms energy: -51.933359 where: bonds (distance) C4'-P energy: -10.486 bonds (distance) P-C4' energy: -11.116 flat angles C4'-P-C4' energy: -10.385 flat angles P-C4'-P energy: -7.156 tors. eta vs tors. theta energy: -12.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -61.809024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.809024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.809024 (E_RNA) where: Base-Base interactions energy: -27.889 where: short stacking energy: -12.158 Base-Backbone interact. energy: -0.228 local terms energy: -33.691890 where: bonds (distance) C4'-P energy: -8.009 bonds (distance) P-C4' energy: -9.113 flat angles C4'-P-C4' energy: -11.623 flat angles P-C4'-P energy: -6.714 tors. eta vs tors. theta energy: 1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -67.224547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.224547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.224547 (E_RNA) where: Base-Base interactions energy: -17.894 where: short stacking energy: -17.894 Base-Backbone interact. energy: -0.000 local terms energy: -49.330610 where: bonds (distance) C4'-P energy: -10.523 bonds (distance) P-C4' energy: -14.576 flat angles C4'-P-C4' energy: -11.428 flat angles P-C4'-P energy: -7.049 tors. eta vs tors. theta energy: -5.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -197.040876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.040876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.040876 (E_RNA) where: Base-Base interactions energy: -135.625 where: short stacking energy: -50.715 Base-Backbone interact. energy: -0.256 local terms energy: -61.159099 where: bonds (distance) C4'-P energy: -12.394 bonds (distance) P-C4' energy: -12.494 flat angles C4'-P-C4' energy: -11.975 flat angles P-C4'-P energy: -8.507 tors. eta vs tors. theta energy: -15.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -183.877533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.877533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.877533 (E_RNA) where: Base-Base interactions energy: -122.193 where: short stacking energy: -50.918 Base-Backbone interact. energy: 0.123 local terms energy: -61.807839 where: bonds (distance) C4'-P energy: -12.683 bonds (distance) P-C4' energy: -14.533 flat angles C4'-P-C4' energy: -11.944 flat angles P-C4'-P energy: -10.328 tors. eta vs tors. theta energy: -12.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -193.147187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.147187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.147187 (E_RNA) where: Base-Base interactions energy: -130.218 where: short stacking energy: -54.308 Base-Backbone interact. energy: -0.099 local terms energy: -62.830000 where: bonds (distance) C4'-P energy: -11.554 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -10.640 flat angles P-C4'-P energy: -11.626 tors. eta vs tors. theta energy: -15.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -180.290805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.290805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.290805 (E_RNA) where: Base-Base interactions energy: -119.508 where: short stacking energy: -50.697 Base-Backbone interact. energy: -0.002 local terms energy: -60.781249 where: bonds (distance) C4'-P energy: -11.960 bonds (distance) P-C4' energy: -9.800 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -10.719 tors. eta vs tors. theta energy: -14.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -178.536984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.536984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.536984 (E_RNA) where: Base-Base interactions energy: -121.135 where: short stacking energy: -48.068 Base-Backbone interact. energy: -0.011 local terms energy: -57.390477 where: bonds (distance) C4'-P energy: -9.993 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -11.595 flat angles P-C4'-P energy: -8.454 tors. eta vs tors. theta energy: -14.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -150.674267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.674267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.674267 (E_RNA) where: Base-Base interactions energy: -99.919 where: short stacking energy: -37.199 Base-Backbone interact. energy: -0.661 local terms energy: -50.094330 where: bonds (distance) C4'-P energy: -8.323 bonds (distance) P-C4' energy: -13.333 flat angles C4'-P-C4' energy: -8.964 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -10.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -169.944942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.944942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.944942 (E_RNA) where: Base-Base interactions energy: -119.640 where: short stacking energy: -49.011 Base-Backbone interact. energy: -0.112 local terms energy: -50.192557 where: bonds (distance) C4'-P energy: -12.279 bonds (distance) P-C4' energy: -11.042 flat angles C4'-P-C4' energy: -9.673 flat angles P-C4'-P energy: -6.880 tors. eta vs tors. theta energy: -10.318 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: 3 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -152.927130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.927130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.927130 (E_RNA) where: Base-Base interactions energy: -99.699 where: short stacking energy: -35.998 Base-Backbone interact. energy: -0.327 local terms energy: -52.901057 where: bonds (distance) C4'-P energy: -8.569 bonds (distance) P-C4' energy: -14.266 flat angles C4'-P-C4' energy: -10.921 flat angles P-C4'-P energy: -11.074 tors. eta vs tors. theta energy: -8.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -64.438983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.438983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.438983 (E_RNA) where: Base-Base interactions energy: -18.083 where: short stacking energy: -18.083 Base-Backbone interact. energy: 0.649 local terms energy: -47.004267 where: bonds (distance) C4'-P energy: -12.510 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -10.523 flat angles P-C4'-P energy: -7.087 tors. eta vs tors. theta energy: -2.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -62.919754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.919754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.919754 (E_RNA) where: Base-Base interactions energy: -23.338 where: short stacking energy: -18.353 Base-Backbone interact. energy: -0.021 local terms energy: -39.561171 where: bonds (distance) C4'-P energy: -7.931 bonds (distance) P-C4' energy: -12.987 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -6.149 tors. eta vs tors. theta energy: -5.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -192.861205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.861205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.861205 (E_RNA) where: Base-Base interactions energy: -132.729 where: short stacking energy: -57.744 Base-Backbone interact. energy: -0.099 local terms energy: -60.033156 where: bonds (distance) C4'-P energy: -10.461 bonds (distance) P-C4' energy: -14.755 flat angles C4'-P-C4' energy: -13.060 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: -16.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -182.690628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.690628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.690628 (E_RNA) where: Base-Base interactions energy: -125.271 where: short stacking energy: -51.626 Base-Backbone interact. energy: -0.286 local terms energy: -57.133494 where: bonds (distance) C4'-P energy: -12.005 bonds (distance) P-C4' energy: -9.370 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -8.842 tors. eta vs tors. theta energy: -13.047 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: 2 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -187.514717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.514717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.514717 (E_RNA) where: Base-Base interactions energy: -124.010 where: short stacking energy: -50.196 Base-Backbone interact. energy: -0.008 local terms energy: -63.496611 where: bonds (distance) C4'-P energy: -11.880 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -14.121 flat angles P-C4'-P energy: -8.371 tors. eta vs tors. theta energy: -14.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -179.383847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.383847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.383847 (E_RNA) where: Base-Base interactions energy: -120.604 where: short stacking energy: -45.331 Base-Backbone interact. energy: -0.005 local terms energy: -58.774913 where: bonds (distance) C4'-P energy: -11.772 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -13.412 flat angles P-C4'-P energy: -6.046 tors. eta vs tors. theta energy: -13.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -175.768204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.768204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.768204 (E_RNA) where: Base-Base interactions energy: -120.665 where: short stacking energy: -46.498 Base-Backbone interact. energy: -0.055 local terms energy: -55.048342 where: bonds (distance) C4'-P energy: -11.148 bonds (distance) P-C4' energy: -13.526 flat angles C4'-P-C4' energy: -10.694 flat angles P-C4'-P energy: -7.099 tors. eta vs tors. theta energy: -12.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -160.870739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.870739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.870739 (E_RNA) where: Base-Base interactions energy: -109.056 where: short stacking energy: -41.530 Base-Backbone interact. energy: -0.026 local terms energy: -51.789263 where: bonds (distance) C4'-P energy: -14.261 bonds (distance) P-C4' energy: -9.072 flat angles C4'-P-C4' energy: -12.115 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -12.189 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: 4 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -178.187334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.187334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.187334 (E_RNA) where: Base-Base interactions energy: -119.146 where: short stacking energy: -43.384 Base-Backbone interact. energy: -0.005 local terms energy: -59.036461 where: bonds (distance) C4'-P energy: -11.276 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -11.622 flat angles P-C4'-P energy: -8.326 tors. eta vs tors. theta energy: -14.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -145.338694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.338694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.338694 (E_RNA) where: Base-Base interactions energy: -100.460 where: short stacking energy: -42.692 Base-Backbone interact. energy: 1.690 local terms energy: -46.568308 where: bonds (distance) C4'-P energy: -10.150 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.325 flat angles P-C4'-P energy: -7.719 tors. eta vs tors. theta energy: -11.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -69.594046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.594046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.594046 (E_RNA) where: Base-Base interactions energy: -32.519 where: short stacking energy: -15.353 Base-Backbone interact. energy: -0.884 local terms energy: -36.190976 where: bonds (distance) C4'-P energy: -10.318 bonds (distance) P-C4' energy: -10.805 flat angles C4'-P-C4' energy: -11.473 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -0.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -63.038861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.038861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.038861 (E_RNA) where: Base-Base interactions energy: -28.217 where: short stacking energy: -9.019 Base-Backbone interact. energy: 0.126 local terms energy: -34.947759 where: bonds (distance) C4'-P energy: -7.897 bonds (distance) P-C4' energy: -13.625 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -6.610 tors. eta vs tors. theta energy: 0.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -187.589733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.589733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.589733 (E_RNA) where: Base-Base interactions energy: -126.459 where: short stacking energy: -53.254 Base-Backbone interact. energy: -0.002 local terms energy: -61.128023 where: bonds (distance) C4'-P energy: -12.170 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -10.542 flat angles P-C4'-P energy: -9.564 tors. eta vs tors. theta energy: -16.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -189.768672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.768672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.768672 (E_RNA) where: Base-Base interactions energy: -126.843 where: short stacking energy: -52.289 Base-Backbone interact. energy: -1.002 local terms energy: -61.923321 where: bonds (distance) C4'-P energy: -9.321 bonds (distance) P-C4' energy: -11.454 flat angles C4'-P-C4' energy: -13.849 flat angles P-C4'-P energy: -10.053 tors. eta vs tors. theta energy: -17.245 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: 3, replica: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -177.575849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.575849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.575849 (E_RNA) where: Base-Base interactions energy: -112.103 where: short stacking energy: -49.070 Base-Backbone interact. energy: -0.083 local terms energy: -65.390587 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -13.756 flat angles P-C4'-P energy: -11.917 tors. eta vs tors. theta energy: -12.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -180.733506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.733506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.733506 (E_RNA) where: Base-Base interactions energy: -117.969 where: short stacking energy: -43.548 Base-Backbone interact. energy: -0.718 local terms energy: -62.047172 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -13.407 flat angles P-C4'-P energy: -8.547 tors. eta vs tors. theta energy: -15.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -178.703980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.703980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.703980 (E_RNA) where: Base-Base interactions energy: -121.490 where: short stacking energy: -44.495 Base-Backbone interact. energy: -0.002 local terms energy: -57.212118 where: bonds (distance) C4'-P energy: -12.179 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -9.702 flat angles P-C4'-P energy: -8.049 tors. eta vs tors. theta energy: -13.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -172.247362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.247362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.247362 (E_RNA) where: Base-Base interactions energy: -115.041 where: short stacking energy: -49.982 Base-Backbone interact. energy: -0.574 local terms energy: -56.632143 where: bonds (distance) C4'-P energy: -12.920 bonds (distance) P-C4' energy: -10.714 flat angles C4'-P-C4' energy: -11.049 flat angles P-C4'-P energy: -6.915 tors. eta vs tors. theta energy: -15.035 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: 4 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -165.157724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.157724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.157724 (E_RNA) where: Base-Base interactions energy: -111.167 where: short stacking energy: -49.479 Base-Backbone interact. energy: -0.478 local terms energy: -53.513241 where: bonds (distance) C4'-P energy: -10.335 bonds (distance) P-C4' energy: -11.598 flat angles C4'-P-C4' energy: -11.705 flat angles P-C4'-P energy: -7.995 tors. eta vs tors. theta energy: -11.879 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: 3 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -164.664869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.664869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.664869 (E_RNA) where: Base-Base interactions energy: -116.877 where: short stacking energy: -50.104 Base-Backbone interact. energy: -0.430 local terms energy: -47.357812 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -13.108 flat angles C4'-P-C4' energy: -9.722 flat angles P-C4'-P energy: -6.311 tors. eta vs tors. theta energy: -10.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -77.254003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.254003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.254003 (E_RNA) where: Base-Base interactions energy: -29.770 where: short stacking energy: -26.321 Base-Backbone interact. energy: 0.067 local terms energy: -47.551409 where: bonds (distance) C4'-P energy: -9.375 bonds (distance) P-C4' energy: -11.358 flat angles C4'-P-C4' energy: -11.589 flat angles P-C4'-P energy: -7.248 tors. eta vs tors. theta energy: -7.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -71.957807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.957807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.957807 (E_RNA) where: Base-Base interactions energy: -23.020 where: short stacking energy: -16.728 Base-Backbone interact. energy: -0.456 local terms energy: -48.481699 where: bonds (distance) C4'-P energy: -12.879 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -11.358 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -4.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -190.751203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.751203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.751203 (E_RNA) where: Base-Base interactions energy: -137.915 where: short stacking energy: -55.249 Base-Backbone interact. energy: -0.101 local terms energy: -52.735301 where: bonds (distance) C4'-P energy: -9.641 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -10.617 flat angles P-C4'-P energy: -6.534 tors. eta vs tors. theta energy: -11.569 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: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -188.428650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.428650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.428650 (E_RNA) where: Base-Base interactions energy: -127.425 where: short stacking energy: -52.612 Base-Backbone interact. energy: -0.084 local terms energy: -60.919719 where: bonds (distance) C4'-P energy: -12.058 bonds (distance) P-C4' energy: -12.097 flat angles C4'-P-C4' energy: -13.140 flat angles P-C4'-P energy: -7.504 tors. eta vs tors. theta energy: -16.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -178.371623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.371623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.371623 (E_RNA) where: Base-Base interactions energy: -112.879 where: short stacking energy: -44.107 Base-Backbone interact. energy: -0.011 local terms energy: -65.481556 where: bonds (distance) C4'-P energy: -14.215 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -9.041 tors. eta vs tors. theta energy: -14.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -184.237749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.237749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.237749 (E_RNA) where: Base-Base interactions energy: -123.766 where: short stacking energy: -54.671 Base-Backbone interact. energy: -0.001 local terms energy: -60.470494 where: bonds (distance) C4'-P energy: -8.592 bonds (distance) P-C4' energy: -14.088 flat angles C4'-P-C4' energy: -14.057 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -14.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -174.096596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.096596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.096596 (E_RNA) where: Base-Base interactions energy: -118.969 where: short stacking energy: -44.414 Base-Backbone interact. energy: -0.919 local terms energy: -54.208444 where: bonds (distance) C4'-P energy: -11.856 bonds (distance) P-C4' energy: -12.351 flat angles C4'-P-C4' energy: -11.912 flat angles P-C4'-P energy: -7.153 tors. eta vs tors. theta energy: -10.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -174.150401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.150401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.150401 (E_RNA) where: Base-Base interactions energy: -116.260 where: short stacking energy: -47.340 Base-Backbone interact. energy: -0.508 local terms energy: -57.382888 where: bonds (distance) C4'-P energy: -13.467 bonds (distance) P-C4' energy: -12.324 flat angles C4'-P-C4' energy: -12.570 flat angles P-C4'-P energy: -6.051 tors. eta vs tors. theta energy: -12.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -144.051082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.051082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.051082 (E_RNA) where: Base-Base interactions energy: -110.374 where: short stacking energy: -46.149 Base-Backbone interact. energy: -0.103 local terms energy: -33.573783 where: bonds (distance) C4'-P energy: -6.335 bonds (distance) P-C4' energy: -8.069 flat angles C4'-P-C4' energy: -8.318 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -7.847 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: 3 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -173.330677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.330677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.330677 (E_RNA) where: Base-Base interactions energy: -116.816 where: short stacking energy: -49.233 Base-Backbone interact. energy: -0.013 local terms energy: -56.501915 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -13.256 flat angles C4'-P-C4' energy: -11.667 flat angles P-C4'-P energy: -5.830 tors. eta vs tors. theta energy: -13.868 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: 1 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -70.304227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.304227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.304227 (E_RNA) where: Base-Base interactions energy: -25.114 where: short stacking energy: -24.664 Base-Backbone interact. energy: -0.104 local terms energy: -45.085923 where: bonds (distance) C4'-P energy: -13.603 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -6.861 tors. eta vs tors. theta energy: -4.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -80.068454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.068454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.068454 (E_RNA) where: Base-Base interactions energy: -26.178 where: short stacking energy: -26.178 Base-Backbone interact. energy: -0.002 local terms energy: -53.888438 where: bonds (distance) C4'-P energy: -10.284 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -15.016 flat angles P-C4'-P energy: -7.781 tors. eta vs tors. theta energy: -7.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -188.828806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.828806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.828806 (E_RNA) where: Base-Base interactions energy: -125.990 where: short stacking energy: -47.806 Base-Backbone interact. energy: -0.255 local terms energy: -62.583768 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -10.089 flat angles P-C4'-P energy: -10.848 tors. eta vs tors. theta energy: -14.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -189.365610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.365610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.365610 (E_RNA) where: Base-Base interactions energy: -129.750 where: short stacking energy: -49.615 Base-Backbone interact. energy: 0.148 local terms energy: -59.763874 where: bonds (distance) C4'-P energy: -13.690 bonds (distance) P-C4' energy: -13.310 flat angles C4'-P-C4' energy: -9.882 flat angles P-C4'-P energy: -7.286 tors. eta vs tors. theta energy: -15.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -187.994398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.994398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.994398 (E_RNA) where: Base-Base interactions energy: -132.027 where: short stacking energy: -56.299 Base-Backbone interact. energy: -0.101 local terms energy: -55.866721 where: bonds (distance) C4'-P energy: -12.174 bonds (distance) P-C4' energy: -8.850 flat angles C4'-P-C4' energy: -11.564 flat angles P-C4'-P energy: -5.931 tors. eta vs tors. theta energy: -17.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -179.883736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.883736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.883736 (E_RNA) where: Base-Base interactions energy: -119.617 where: short stacking energy: -52.421 Base-Backbone interact. energy: -0.028 local terms energy: -60.238241 where: bonds (distance) C4'-P energy: -10.539 bonds (distance) P-C4' energy: -13.027 flat angles C4'-P-C4' energy: -16.013 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -15.457 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: 5, replica: 10 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -178.507604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.507604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.507604 (E_RNA) where: Base-Base interactions energy: -123.619 where: short stacking energy: -48.004 Base-Backbone interact. energy: -0.092 local terms energy: -54.796259 where: bonds (distance) C4'-P energy: -9.807 bonds (distance) P-C4' energy: -11.190 flat angles C4'-P-C4' energy: -14.281 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: -14.237 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: 2 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -170.836344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.836344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.836344 (E_RNA) where: Base-Base interactions energy: -114.854 where: short stacking energy: -46.537 Base-Backbone interact. energy: 0.431 local terms energy: -56.413091 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -9.488 flat angles C4'-P-C4' energy: -11.727 flat angles P-C4'-P energy: -6.375 tors. eta vs tors. theta energy: -16.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -172.108232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.108232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.108232 (E_RNA) where: Base-Base interactions energy: -116.194 where: short stacking energy: -44.755 Base-Backbone interact. energy: -0.038 local terms energy: -55.875469 where: bonds (distance) C4'-P energy: -11.127 bonds (distance) P-C4' energy: -10.317 flat angles C4'-P-C4' energy: -12.025 flat angles P-C4'-P energy: -10.591 tors. eta vs tors. theta energy: -11.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -157.972505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.972505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.972505 (E_RNA) where: Base-Base interactions energy: -99.745 where: short stacking energy: -39.511 Base-Backbone interact. energy: -0.443 local terms energy: -57.784562 where: bonds (distance) C4'-P energy: -9.802 bonds (distance) P-C4' energy: -12.520 flat angles C4'-P-C4' energy: -14.487 flat angles P-C4'-P energy: -7.019 tors. eta vs tors. theta energy: -13.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -69.132114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.132114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.132114 (E_RNA) where: Base-Base interactions energy: -25.462 where: short stacking energy: -24.097 Base-Backbone interact. energy: -0.116 local terms energy: -43.554766 where: bonds (distance) C4'-P energy: -9.914 bonds (distance) P-C4' energy: -8.242 flat angles C4'-P-C4' energy: -11.967 flat angles P-C4'-P energy: -10.068 tors. eta vs tors. theta energy: -3.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -62.326810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.326810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.326810 (E_RNA) where: Base-Base interactions energy: -18.224 where: short stacking energy: -17.952 Base-Backbone interact. energy: -0.370 local terms energy: -43.732510 where: bonds (distance) C4'-P energy: -11.604 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -9.373 flat angles P-C4'-P energy: -9.084 tors. eta vs tors. theta energy: -0.844 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: 1, replica: 9 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -187.878641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.878641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.878641 (E_RNA) where: Base-Base interactions energy: -127.598 where: short stacking energy: -55.283 Base-Backbone interact. energy: -0.004 local terms energy: -60.276386 where: bonds (distance) C4'-P energy: -12.101 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -14.151 flat angles P-C4'-P energy: -6.672 tors. eta vs tors. theta energy: -12.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -189.994271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.994271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.994271 (E_RNA) where: Base-Base interactions energy: -127.023 where: short stacking energy: -50.203 Base-Backbone interact. energy: -0.200 local terms energy: -62.771362 where: bonds (distance) C4'-P energy: -12.181 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -12.613 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: -14.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -183.465306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.465306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.465306 (E_RNA) where: Base-Base interactions energy: -126.284 where: short stacking energy: -47.189 Base-Backbone interact. energy: -0.418 local terms energy: -56.762969 where: bonds (distance) C4'-P energy: -12.894 bonds (distance) P-C4' energy: -12.202 flat angles C4'-P-C4' energy: -11.040 flat angles P-C4'-P energy: -7.640 tors. eta vs tors. theta energy: -12.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -179.053093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.053093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.053093 (E_RNA) where: Base-Base interactions energy: -120.767 where: short stacking energy: -47.375 Base-Backbone interact. energy: -0.269 local terms energy: -58.017399 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -11.571 flat angles C4'-P-C4' energy: -12.442 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -15.190 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: 5, replica: 6 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -175.473555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.473555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.473555 (E_RNA) where: Base-Base interactions energy: -113.756 where: short stacking energy: -40.632 Base-Backbone interact. energy: -0.671 local terms energy: -61.046358 where: bonds (distance) C4'-P energy: -13.784 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -12.676 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: -12.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -169.116339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.116339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.116339 (E_RNA) where: Base-Base interactions energy: -112.646 where: short stacking energy: -49.000 Base-Backbone interact. energy: -0.567 local terms energy: -55.903280 where: bonds (distance) C4'-P energy: -11.724 bonds (distance) P-C4' energy: -14.122 flat angles C4'-P-C4' energy: -13.024 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -12.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -171.394401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.394401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.394401 (E_RNA) where: Base-Base interactions energy: -114.678 where: short stacking energy: -44.951 Base-Backbone interact. energy: -0.004 local terms energy: -56.712382 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -8.380 flat angles C4'-P-C4' energy: -11.136 flat angles P-C4'-P energy: -10.714 tors. eta vs tors. theta energy: -14.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -158.860607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.860607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.860607 (E_RNA) where: Base-Base interactions energy: -105.838 where: short stacking energy: -42.452 Base-Backbone interact. energy: -0.232 local terms energy: -52.790477 where: bonds (distance) C4'-P energy: -9.069 bonds (distance) P-C4' energy: -8.838 flat angles C4'-P-C4' energy: -14.549 flat angles P-C4'-P energy: -10.307 tors. eta vs tors. theta energy: -10.028 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: 7 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -77.871711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.871711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.871711 (E_RNA) where: Base-Base interactions energy: -34.703 where: short stacking energy: -23.257 Base-Backbone interact. energy: -0.378 local terms energy: -42.790347 where: bonds (distance) C4'-P energy: -11.574 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -8.768 flat angles P-C4'-P energy: -7.162 tors. eta vs tors. theta energy: -2.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -74.991912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.991912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.991912 (E_RNA) where: Base-Base interactions energy: -43.499 where: short stacking energy: -20.756 Base-Backbone interact. energy: -0.204 local terms energy: -31.288461 where: bonds (distance) C4'-P energy: -7.703 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -7.771 tors. eta vs tors. theta energy: -1.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -193.786160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.786160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.786160 (E_RNA) where: Base-Base interactions energy: -129.985 where: short stacking energy: -51.544 Base-Backbone interact. energy: -0.395 local terms energy: -63.406568 where: bonds (distance) C4'-P energy: -11.530 bonds (distance) P-C4' energy: -9.892 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -11.272 tors. eta vs tors. theta energy: -16.763 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: 2, replica: 9 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -184.843063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.843063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.843063 (E_RNA) where: Base-Base interactions energy: -123.980 where: short stacking energy: -49.613 Base-Backbone interact. energy: -0.002 local terms energy: -60.860397 where: bonds (distance) C4'-P energy: -11.300 bonds (distance) P-C4' energy: -12.726 flat angles C4'-P-C4' energy: -13.768 flat angles P-C4'-P energy: -9.967 tors. eta vs tors. theta energy: -13.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -182.112919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.112919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.112919 (E_RNA) where: Base-Base interactions energy: -118.485 where: short stacking energy: -48.067 Base-Backbone interact. energy: -0.000 local terms energy: -63.628138 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -12.208 flat angles C4'-P-C4' energy: -13.802 flat angles P-C4'-P energy: -9.898 tors. eta vs tors. theta energy: -15.830 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: 4, replica: 5 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -179.832854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.832854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.832854 (E_RNA) where: Base-Base interactions energy: -125.651 where: short stacking energy: -46.509 Base-Backbone interact. energy: 0.678 local terms energy: -54.859741 where: bonds (distance) C4'-P energy: -8.097 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -9.228 flat angles P-C4'-P energy: -9.194 tors. eta vs tors. theta energy: -14.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -178.157240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.157240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.157240 (E_RNA) where: Base-Base interactions energy: -116.225 where: short stacking energy: -50.967 Base-Backbone interact. energy: -0.002 local terms energy: -61.929908 where: bonds (distance) C4'-P energy: -13.204 bonds (distance) P-C4' energy: -12.996 flat angles C4'-P-C4' energy: -11.983 flat angles P-C4'-P energy: -9.294 tors. eta vs tors. theta energy: -14.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -169.796693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.796693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.796693 (E_RNA) where: Base-Base interactions energy: -112.117 where: short stacking energy: -48.250 Base-Backbone interact. energy: -0.047 local terms energy: -57.633122 where: bonds (distance) C4'-P energy: -11.069 bonds (distance) P-C4' energy: -11.285 flat angles C4'-P-C4' energy: -11.240 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: -14.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -169.677965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.677965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.677965 (E_RNA) where: Base-Base interactions energy: -117.078 where: short stacking energy: -44.224 Base-Backbone interact. energy: -0.007 local terms energy: -52.592952 where: bonds (distance) C4'-P energy: -8.146 bonds (distance) P-C4' energy: -10.994 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -6.518 tors. eta vs tors. theta energy: -15.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -162.987917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.987917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.987917 (E_RNA) where: Base-Base interactions energy: -113.848 where: short stacking energy: -46.994 Base-Backbone interact. energy: -0.092 local terms energy: -49.047962 where: bonds (distance) C4'-P energy: -11.959 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -12.086 flat angles P-C4'-P energy: -2.231 tors. eta vs tors. theta energy: -8.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -73.681115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.681115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.681115 (E_RNA) where: Base-Base interactions energy: -31.474 where: short stacking energy: -17.214 Base-Backbone interact. energy: -0.377 local terms energy: -41.830462 where: bonds (distance) C4'-P energy: -10.404 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -8.671 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -3.753 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: 136 Temperature: 1.350000 Total energy: -63.678862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.678862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.678862 (E_RNA) where: Base-Base interactions energy: -26.547 where: short stacking energy: -19.373 Base-Backbone interact. energy: -0.054 local terms energy: -37.078180 where: bonds (distance) C4'-P energy: -10.654 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -9.727 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: 0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -191.457229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.457229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.457229 (E_RNA) where: Base-Base interactions energy: -129.438 where: short stacking energy: -51.143 Base-Backbone interact. energy: -0.820 local terms energy: -61.199375 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -10.679 flat angles P-C4'-P energy: -9.862 tors. eta vs tors. theta energy: -13.117 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: 10 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -187.814322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.814322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.814322 (E_RNA) where: Base-Base interactions energy: -131.139 where: short stacking energy: -55.251 Base-Backbone interact. energy: -0.003 local terms energy: -56.672626 where: bonds (distance) C4'-P energy: -9.514 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -13.062 flat angles P-C4'-P energy: -7.216 tors. eta vs tors. theta energy: -14.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -185.099176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.099176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.099176 (E_RNA) where: Base-Base interactions energy: -124.758 where: short stacking energy: -52.218 Base-Backbone interact. energy: -0.000 local terms energy: -60.341238 where: bonds (distance) C4'-P energy: -10.560 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -12.001 flat angles P-C4'-P energy: -7.995 tors. eta vs tors. theta energy: -16.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -180.911885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.911885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.911885 (E_RNA) where: Base-Base interactions energy: -125.070 where: short stacking energy: -48.599 Base-Backbone interact. energy: -0.016 local terms energy: -55.825144 where: bonds (distance) C4'-P energy: -13.266 bonds (distance) P-C4' energy: -11.690 flat angles C4'-P-C4' energy: -7.830 flat angles P-C4'-P energy: -5.988 tors. eta vs tors. theta energy: -17.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -180.996149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.996149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.996149 (E_RNA) where: Base-Base interactions energy: -121.463 where: short stacking energy: -53.031 Base-Backbone interact. energy: -0.089 local terms energy: -59.444115 where: bonds (distance) C4'-P energy: -13.131 bonds (distance) P-C4' energy: -13.378 flat angles C4'-P-C4' energy: -10.400 flat angles P-C4'-P energy: -8.764 tors. eta vs tors. theta energy: -13.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -164.879774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.879774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.879774 (E_RNA) where: Base-Base interactions energy: -116.150 where: short stacking energy: -48.243 Base-Backbone interact. energy: 0.196 local terms energy: -48.925229 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -10.394 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -12.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -167.546746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.546746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.546746 (E_RNA) where: Base-Base interactions energy: -111.701 where: short stacking energy: -39.587 Base-Backbone interact. energy: -0.127 local terms energy: -55.718611 where: bonds (distance) C4'-P energy: -10.233 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -10.634 flat angles P-C4'-P energy: -7.192 tors. eta vs tors. theta energy: -14.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -170.163427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.163427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.163427 (E_RNA) where: Base-Base interactions energy: -114.560 where: short stacking energy: -45.072 Base-Backbone interact. energy: -0.012 local terms energy: -55.591412 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -8.839 flat angles C4'-P-C4' energy: -14.240 flat angles P-C4'-P energy: -5.377 tors. eta vs tors. theta energy: -14.676 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: 1 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -70.621624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.621624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.621624 (E_RNA) where: Base-Base interactions energy: -31.622 where: short stacking energy: -31.622 Base-Backbone interact. energy: -0.437 local terms energy: -38.562793 where: bonds (distance) C4'-P energy: -9.551 bonds (distance) P-C4' energy: -9.269 flat angles C4'-P-C4' energy: -10.181 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -5.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -69.455487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.455487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.455487 (E_RNA) where: Base-Base interactions energy: -31.089 where: short stacking energy: -16.263 Base-Backbone interact. energy: -0.347 local terms energy: -38.019375 where: bonds (distance) C4'-P energy: -8.216 bonds (distance) P-C4' energy: -10.693 flat angles C4'-P-C4' energy: -8.407 flat angles P-C4'-P energy: -10.341 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: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -189.283057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.283057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.283057 (E_RNA) where: Base-Base interactions energy: -131.707 where: short stacking energy: -53.698 Base-Backbone interact. energy: -1.301 local terms energy: -56.274592 where: bonds (distance) C4'-P energy: -10.150 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -8.818 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -15.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -185.645851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.645851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.645851 (E_RNA) where: Base-Base interactions energy: -120.335 where: short stacking energy: -42.550 Base-Backbone interact. energy: -1.365 local terms energy: -63.945913 where: bonds (distance) C4'-P energy: -13.338 bonds (distance) P-C4' energy: -12.536 flat angles C4'-P-C4' energy: -12.180 flat angles P-C4'-P energy: -10.318 tors. eta vs tors. theta energy: -15.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -185.020966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.020966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.020966 (E_RNA) where: Base-Base interactions energy: -129.316 where: short stacking energy: -54.475 Base-Backbone interact. energy: -0.000 local terms energy: -55.704567 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -11.386 flat angles C4'-P-C4' energy: -8.906 flat angles P-C4'-P energy: -7.567 tors. eta vs tors. theta energy: -15.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -180.220994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.220994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.220994 (E_RNA) where: Base-Base interactions energy: -123.026 where: short stacking energy: -51.204 Base-Backbone interact. energy: -0.158 local terms energy: -57.037182 where: bonds (distance) C4'-P energy: -14.207 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -9.410 flat angles P-C4'-P energy: -7.282 tors. eta vs tors. theta energy: -13.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -175.369418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.369418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.369418 (E_RNA) where: Base-Base interactions energy: -119.150 where: short stacking energy: -43.673 Base-Backbone interact. energy: -0.016 local terms energy: -56.203351 where: bonds (distance) C4'-P energy: -11.508 bonds (distance) P-C4' energy: -14.061 flat angles C4'-P-C4' energy: -12.060 flat angles P-C4'-P energy: -6.929 tors. eta vs tors. theta energy: -11.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -166.740640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.740640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.740640 (E_RNA) where: Base-Base interactions energy: -115.894 where: short stacking energy: -43.143 Base-Backbone interact. energy: -0.002 local terms energy: -50.844627 where: bonds (distance) C4'-P energy: -10.689 bonds (distance) P-C4' energy: -9.885 flat angles C4'-P-C4' energy: -13.177 flat angles P-C4'-P energy: -6.636 tors. eta vs tors. theta energy: -10.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -161.231123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.231123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.231123 (E_RNA) where: Base-Base interactions energy: -113.532 where: short stacking energy: -42.417 Base-Backbone interact. energy: -0.015 local terms energy: -47.683843 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -11.712 flat angles C4'-P-C4' energy: -10.951 flat angles P-C4'-P energy: -7.490 tors. eta vs tors. theta energy: -9.847 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: 2 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -165.498912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.498912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.498912 (E_RNA) where: Base-Base interactions energy: -112.569 where: short stacking energy: -49.598 Base-Backbone interact. energy: -1.201 local terms energy: -51.729198 where: bonds (distance) C4'-P energy: -11.520 bonds (distance) P-C4' energy: -8.144 flat angles C4'-P-C4' energy: -13.643 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -13.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -63.474246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.474246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.474246 (E_RNA) where: Base-Base interactions energy: -20.882 where: short stacking energy: -20.882 Base-Backbone interact. energy: -0.196 local terms energy: -42.396647 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -11.220 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -8.088 tors. eta vs tors. theta energy: -2.319 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: 1 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -58.978673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.978673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.978673 (E_RNA) where: Base-Base interactions energy: -20.945 where: short stacking energy: -18.510 Base-Backbone interact. energy: -0.230 local terms energy: -37.803839 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -10.431 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -3.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -192.598916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.598916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.598916 (E_RNA) where: Base-Base interactions energy: -129.159 where: short stacking energy: -54.708 Base-Backbone interact. energy: -0.686 local terms energy: -62.753509 where: bonds (distance) C4'-P energy: -10.221 bonds (distance) P-C4' energy: -14.327 flat angles C4'-P-C4' energy: -13.365 flat angles P-C4'-P energy: -7.371 tors. eta vs tors. theta energy: -17.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -178.399724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.399724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.399724 (E_RNA) where: Base-Base interactions energy: -122.426 where: short stacking energy: -44.343 Base-Backbone interact. energy: -0.001 local terms energy: -55.971926 where: bonds (distance) C4'-P energy: -14.935 bonds (distance) P-C4' energy: -14.330 flat angles C4'-P-C4' energy: -10.370 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: -12.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -184.659047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.659047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.659047 (E_RNA) where: Base-Base interactions energy: -124.274 where: short stacking energy: -46.743 Base-Backbone interact. energy: -1.285 local terms energy: -59.100102 where: bonds (distance) C4'-P energy: -7.056 bonds (distance) P-C4' energy: -13.970 flat angles C4'-P-C4' energy: -13.195 flat angles P-C4'-P energy: -9.865 tors. eta vs tors. theta energy: -15.015 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: 4 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -179.974464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.974464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.974464 (E_RNA) where: Base-Base interactions energy: -125.286 where: short stacking energy: -49.470 Base-Backbone interact. energy: -0.001 local terms energy: -54.686999 where: bonds (distance) C4'-P energy: -11.768 bonds (distance) P-C4' energy: -13.169 flat angles C4'-P-C4' energy: -9.224 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -15.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -173.190873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.190873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.190873 (E_RNA) where: Base-Base interactions energy: -120.781 where: short stacking energy: -47.768 Base-Backbone interact. energy: -0.020 local terms energy: -52.389696 where: bonds (distance) C4'-P energy: -11.441 bonds (distance) P-C4' energy: -8.695 flat angles C4'-P-C4' energy: -13.829 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -14.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -168.521386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.521386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.521386 (E_RNA) where: Base-Base interactions energy: -107.702 where: short stacking energy: -40.917 Base-Backbone interact. energy: -1.197 local terms energy: -59.622700 where: bonds (distance) C4'-P energy: -12.378 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -13.391 flat angles P-C4'-P energy: -11.148 tors. eta vs tors. theta energy: -8.310 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: 3 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -167.033946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.033946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.033946 (E_RNA) where: Base-Base interactions energy: -114.199 where: short stacking energy: -43.140 Base-Backbone interact. energy: 1.260 local terms energy: -54.094826 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -9.238 flat angles C4'-P-C4' energy: -12.394 flat angles P-C4'-P energy: -9.390 tors. eta vs tors. theta energy: -10.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -170.741443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.741443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.741443 (E_RNA) where: Base-Base interactions energy: -116.524 where: short stacking energy: -45.855 Base-Backbone interact. energy: -0.067 local terms energy: -54.150995 where: bonds (distance) C4'-P energy: -11.800 bonds (distance) P-C4' energy: -11.137 flat angles C4'-P-C4' energy: -8.051 flat angles P-C4'-P energy: -8.174 tors. eta vs tors. theta energy: -14.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -66.243252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.243252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.243252 (E_RNA) where: Base-Base interactions energy: -24.708 where: short stacking energy: -14.343 Base-Backbone interact. energy: -0.239 local terms energy: -41.296220 where: bonds (distance) C4'-P energy: -10.705 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -11.314 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -1.820 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: 1 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -62.967375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.967375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.967375 (E_RNA) where: Base-Base interactions energy: -17.679 where: short stacking energy: -17.679 Base-Backbone interact. energy: -0.117 local terms energy: -45.171435 where: bonds (distance) C4'-P energy: -10.489 bonds (distance) P-C4' energy: -10.143 flat angles C4'-P-C4' energy: -11.824 flat angles P-C4'-P energy: -8.811 tors. eta vs tors. theta energy: -3.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -184.792008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.792008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.792008 (E_RNA) where: Base-Base interactions energy: -125.557 where: short stacking energy: -49.691 Base-Backbone interact. energy: -0.432 local terms energy: -58.803294 where: bonds (distance) C4'-P energy: -13.433 bonds (distance) P-C4' energy: -11.114 flat angles C4'-P-C4' energy: -12.655 flat angles P-C4'-P energy: -8.126 tors. eta vs tors. theta energy: -13.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -182.600819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.600819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.600819 (E_RNA) where: Base-Base interactions energy: -121.282 where: short stacking energy: -46.326 Base-Backbone interact. energy: -0.538 local terms energy: -60.780749 where: bonds (distance) C4'-P energy: -11.569 bonds (distance) P-C4' energy: -12.013 flat angles C4'-P-C4' energy: -13.855 flat angles P-C4'-P energy: -7.244 tors. eta vs tors. theta energy: -16.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -183.426241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.426241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.426241 (E_RNA) where: Base-Base interactions energy: -118.694 where: short stacking energy: -46.763 Base-Backbone interact. energy: -1.997 local terms energy: -62.735001 where: bonds (distance) C4'-P energy: -13.645 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -13.435 flat angles P-C4'-P energy: -8.689 tors. eta vs tors. theta energy: -12.903 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: 4, replica: 4 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -179.439111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.439111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.439111 (E_RNA) where: Base-Base interactions energy: -126.702 where: short stacking energy: -50.760 Base-Backbone interact. energy: -0.686 local terms energy: -52.050561 where: bonds (distance) C4'-P energy: -10.399 bonds (distance) P-C4' energy: -11.557 flat angles C4'-P-C4' energy: -13.392 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -12.869 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: 9 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -176.090746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.090746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.090746 (E_RNA) where: Base-Base interactions energy: -128.827 where: short stacking energy: -44.773 Base-Backbone interact. energy: -0.105 local terms energy: -47.158304 where: bonds (distance) C4'-P energy: -8.991 bonds (distance) P-C4' energy: -6.871 flat angles C4'-P-C4' energy: -11.061 flat angles P-C4'-P energy: -7.264 tors. eta vs tors. theta energy: -12.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -185.367293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.367293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.367293 (E_RNA) where: Base-Base interactions energy: -122.996 where: short stacking energy: -46.570 Base-Backbone interact. energy: -0.869 local terms energy: -61.502574 where: bonds (distance) C4'-P energy: -11.657 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -11.782 flat angles P-C4'-P energy: -10.342 tors. eta vs tors. theta energy: -16.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -176.346810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.346810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.346810 (E_RNA) where: Base-Base interactions energy: -116.532 where: short stacking energy: -50.051 Base-Backbone interact. energy: -0.179 local terms energy: -59.635913 where: bonds (distance) C4'-P energy: -10.867 bonds (distance) P-C4' energy: -13.988 flat angles C4'-P-C4' energy: -11.095 flat angles P-C4'-P energy: -9.393 tors. eta vs tors. theta energy: -14.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -161.818216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.818216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.818216 (E_RNA) where: Base-Base interactions energy: -113.452 where: short stacking energy: -47.915 Base-Backbone interact. energy: -0.470 local terms energy: -47.896379 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -12.694 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -11.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -75.866306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.866306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.866306 (E_RNA) where: Base-Base interactions energy: -32.077 where: short stacking energy: -20.494 Base-Backbone interact. energy: -0.030 local terms energy: -43.758588 where: bonds (distance) C4'-P energy: -10.440 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -11.122 flat angles P-C4'-P energy: -3.556 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: 1 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -59.405628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.405628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.405628 (E_RNA) where: Base-Base interactions energy: -15.285 where: short stacking energy: -11.164 Base-Backbone interact. energy: -0.626 local terms energy: -43.494209 where: bonds (distance) C4'-P energy: -11.876 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -9.059 flat angles P-C4'-P energy: -8.816 tors. eta vs tors. theta energy: 1.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -184.170866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.170866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.170866 (E_RNA) where: Base-Base interactions energy: -121.929 where: short stacking energy: -53.111 Base-Backbone interact. energy: -0.554 local terms energy: -61.687916 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -10.905 flat angles C4'-P-C4' energy: -13.285 flat angles P-C4'-P energy: -9.339 tors. eta vs tors. theta energy: -14.850 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: 8 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -189.056698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.056698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.056698 (E_RNA) where: Base-Base interactions energy: -126.627 where: short stacking energy: -47.833 Base-Backbone interact. energy: -0.111 local terms energy: -62.318741 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -12.014 flat angles C4'-P-C4' energy: -13.277 flat angles P-C4'-P energy: -7.317 tors. eta vs tors. theta energy: -16.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -182.182823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.182823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.182823 (E_RNA) where: Base-Base interactions energy: -125.416 where: short stacking energy: -49.800 Base-Backbone interact. energy: 0.027 local terms energy: -56.794380 where: bonds (distance) C4'-P energy: -11.435 bonds (distance) P-C4' energy: -12.828 flat angles C4'-P-C4' energy: -15.382 flat angles P-C4'-P energy: -6.097 tors. eta vs tors. theta energy: -11.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -174.615313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.615313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.615313 (E_RNA) where: Base-Base interactions energy: -116.944 where: short stacking energy: -45.509 Base-Backbone interact. energy: -0.566 local terms energy: -57.105805 where: bonds (distance) C4'-P energy: -9.575 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -13.768 flat angles P-C4'-P energy: -5.912 tors. eta vs tors. theta energy: -14.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -173.030510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.030510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.030510 (E_RNA) where: Base-Base interactions energy: -119.765 where: short stacking energy: -44.474 Base-Backbone interact. energy: -0.693 local terms energy: -52.572490 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -11.518 flat angles C4'-P-C4' energy: -11.410 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -13.452 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: 2 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -173.477205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.477205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.477205 (E_RNA) where: Base-Base interactions energy: -114.694 where: short stacking energy: -46.013 Base-Backbone interact. energy: -0.114 local terms energy: -58.668921 where: bonds (distance) C4'-P energy: -12.639 bonds (distance) P-C4' energy: -12.211 flat angles C4'-P-C4' energy: -9.875 flat angles P-C4'-P energy: -8.739 tors. eta vs tors. theta energy: -15.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -167.435064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.435064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.435064 (E_RNA) where: Base-Base interactions energy: -113.805 where: short stacking energy: -42.477 Base-Backbone interact. energy: -0.335 local terms energy: -53.295326 where: bonds (distance) C4'-P energy: -10.112 bonds (distance) P-C4' energy: -11.520 flat angles C4'-P-C4' energy: -13.370 flat angles P-C4'-P energy: -7.521 tors. eta vs tors. theta energy: -10.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -165.001255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.001255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.001255 (E_RNA) where: Base-Base interactions energy: -116.018 where: short stacking energy: -45.012 Base-Backbone interact. energy: -0.002 local terms energy: -48.981037 where: bonds (distance) C4'-P energy: -10.125 bonds (distance) P-C4' energy: -11.641 flat angles C4'-P-C4' energy: -9.904 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -12.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -81.414691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.414691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.414691 (E_RNA) where: Base-Base interactions energy: -44.590 where: short stacking energy: -31.523 Base-Backbone interact. energy: -0.096 local terms energy: -36.728988 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -10.576 flat angles C4'-P-C4' energy: -10.283 flat angles P-C4'-P energy: -1.055 tors. eta vs tors. theta energy: -6.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -79.553730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.553730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.553730 (E_RNA) where: Base-Base interactions energy: -28.961 where: short stacking energy: -28.028 Base-Backbone interact. energy: -0.107 local terms energy: -50.485942 where: bonds (distance) C4'-P energy: -11.372 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -9.157 tors. eta vs tors. theta energy: -7.975 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: 142 Temperature: 0.900000 Total energy: -189.273709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.273709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.273709 (E_RNA) where: Base-Base interactions energy: -123.109 where: short stacking energy: -51.282 Base-Backbone interact. energy: -0.384 local terms energy: -65.780989 where: bonds (distance) C4'-P energy: -14.653 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -12.423 flat angles P-C4'-P energy: -10.475 tors. eta vs tors. theta energy: -14.334 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: 10 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -184.932290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.932290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.932290 (E_RNA) where: Base-Base interactions energy: -123.889 where: short stacking energy: -50.408 Base-Backbone interact. energy: -0.381 local terms energy: -60.662413 where: bonds (distance) C4'-P energy: -10.104 bonds (distance) P-C4' energy: -13.371 flat angles C4'-P-C4' energy: -12.081 flat angles P-C4'-P energy: -11.212 tors. eta vs tors. theta energy: -13.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -180.904162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.904162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.904162 (E_RNA) where: Base-Base interactions energy: -122.716 where: short stacking energy: -44.793 Base-Backbone interact. energy: 0.112 local terms energy: -58.300407 where: bonds (distance) C4'-P energy: -11.002 bonds (distance) P-C4' energy: -10.399 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -9.508 tors. eta vs tors. theta energy: -14.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -179.083029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.083029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.083029 (E_RNA) where: Base-Base interactions energy: -125.041 where: short stacking energy: -44.106 Base-Backbone interact. energy: -0.597 local terms energy: -53.445509 where: bonds (distance) C4'-P energy: -8.548 bonds (distance) P-C4' energy: -11.485 flat angles C4'-P-C4' energy: -12.170 flat angles P-C4'-P energy: -8.303 tors. eta vs tors. theta energy: -12.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -170.858207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.858207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.858207 (E_RNA) where: Base-Base interactions energy: -112.912 where: short stacking energy: -45.324 Base-Backbone interact. energy: -0.107 local terms energy: -57.838561 where: bonds (distance) C4'-P energy: -12.548 bonds (distance) P-C4' energy: -9.177 flat angles C4'-P-C4' energy: -12.385 flat angles P-C4'-P energy: -11.005 tors. eta vs tors. theta energy: -12.724 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: 6, replica: 4 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -153.523012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.523012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.523012 (E_RNA) where: Base-Base interactions energy: -97.423 where: short stacking energy: -40.135 Base-Backbone interact. energy: -0.079 local terms energy: -56.020415 where: bonds (distance) C4'-P energy: -12.725 bonds (distance) P-C4' energy: -13.674 flat angles C4'-P-C4' energy: -13.096 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -11.111 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: 3 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -159.456033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.456033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.456033 (E_RNA) where: Base-Base interactions energy: -102.364 where: short stacking energy: -38.513 Base-Backbone interact. energy: -0.903 local terms energy: -56.188978 where: bonds (distance) C4'-P energy: -11.327 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -12.789 flat angles P-C4'-P energy: -5.787 tors. eta vs tors. theta energy: -11.616 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: 8, replica: 6 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -168.312768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.312768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.312768 (E_RNA) where: Base-Base interactions energy: -117.789 where: short stacking energy: -47.080 Base-Backbone interact. energy: -0.108 local terms energy: -50.416348 where: bonds (distance) C4'-P energy: -10.919 bonds (distance) P-C4' energy: -9.309 flat angles C4'-P-C4' energy: -10.471 flat angles P-C4'-P energy: -7.124 tors. eta vs tors. theta energy: -12.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -82.551560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.551560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.551560 (E_RNA) where: Base-Base interactions energy: -42.462 where: short stacking energy: -28.470 Base-Backbone interact. energy: -0.137 local terms energy: -39.952157 where: bonds (distance) C4'-P energy: -9.529 bonds (distance) P-C4' energy: -8.176 flat angles C4'-P-C4' energy: -12.927 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -4.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -69.981457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.981457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.981457 (E_RNA) where: Base-Base interactions energy: -25.559 where: short stacking energy: -25.559 Base-Backbone interact. energy: -0.074 local terms energy: -44.348462 where: bonds (distance) C4'-P energy: -10.366 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -11.257 flat angles P-C4'-P energy: -8.131 tors. eta vs tors. theta energy: -1.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -185.768614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.768614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.768614 (E_RNA) where: Base-Base interactions energy: -124.569 where: short stacking energy: -53.409 Base-Backbone interact. energy: -0.024 local terms energy: -61.175480 where: bonds (distance) C4'-P energy: -11.595 bonds (distance) P-C4' energy: -11.577 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -7.896 tors. eta vs tors. theta energy: -16.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -186.213439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.213439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.213439 (E_RNA) where: Base-Base interactions energy: -132.196 where: short stacking energy: -53.822 Base-Backbone interact. energy: -0.091 local terms energy: -53.926874 where: bonds (distance) C4'-P energy: -11.797 bonds (distance) P-C4' energy: -12.761 flat angles C4'-P-C4' energy: -12.214 flat angles P-C4'-P energy: -3.217 tors. eta vs tors. theta energy: -13.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -180.862633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.862633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.862633 (E_RNA) where: Base-Base interactions energy: -115.869 where: short stacking energy: -48.892 Base-Backbone interact. energy: 1.462 local terms energy: -66.454951 where: bonds (distance) C4'-P energy: -13.428 bonds (distance) P-C4' energy: -14.457 flat angles C4'-P-C4' energy: -13.310 flat angles P-C4'-P energy: -10.661 tors. eta vs tors. theta energy: -14.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -175.877728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.877728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.877728 (E_RNA) where: Base-Base interactions energy: -127.233 where: short stacking energy: -47.155 Base-Backbone interact. energy: 0.560 local terms energy: -49.204705 where: bonds (distance) C4'-P energy: -8.756 bonds (distance) P-C4' energy: -9.595 flat angles C4'-P-C4' energy: -11.430 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: -14.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -175.174679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.174679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.174679 (E_RNA) where: Base-Base interactions energy: -114.052 where: short stacking energy: -45.689 Base-Backbone interact. energy: -0.488 local terms energy: -60.634714 where: bonds (distance) C4'-P energy: -7.285 bonds (distance) P-C4' energy: -13.927 flat angles C4'-P-C4' energy: -11.793 flat angles P-C4'-P energy: -12.333 tors. eta vs tors. theta energy: -15.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -175.507602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.507602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.507602 (E_RNA) where: Base-Base interactions energy: -116.452 where: short stacking energy: -47.351 Base-Backbone interact. energy: -1.359 local terms energy: -57.697588 where: bonds (distance) C4'-P energy: -11.342 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -12.309 flat angles P-C4'-P energy: -9.122 tors. eta vs tors. theta energy: -11.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -166.876791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.876791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.876791 (E_RNA) where: Base-Base interactions energy: -115.892 where: short stacking energy: -42.989 Base-Backbone interact. energy: -1.017 local terms energy: -49.967988 where: bonds (distance) C4'-P energy: -11.339 bonds (distance) P-C4' energy: -8.975 flat angles C4'-P-C4' energy: -10.907 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -14.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -169.763093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.763093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.763093 (E_RNA) where: Base-Base interactions energy: -116.882 where: short stacking energy: -47.955 Base-Backbone interact. energy: -0.078 local terms energy: -52.803618 where: bonds (distance) C4'-P energy: -8.585 bonds (distance) P-C4' energy: -7.536 flat angles C4'-P-C4' energy: -13.670 flat angles P-C4'-P energy: -10.461 tors. eta vs tors. theta energy: -12.551 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: 9, replica: 7 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -138.366853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.366853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.366853 (E_RNA) where: Base-Base interactions energy: -100.774 where: short stacking energy: -40.788 Base-Backbone interact. energy: -0.033 local terms energy: -37.559874 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.594 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -8.991 tors. eta vs tors. theta energy: -9.460 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: 1 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -69.832502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.832502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.832502 (E_RNA) where: Base-Base interactions energy: -32.595 where: short stacking energy: -32.595 Base-Backbone interact. energy: -0.051 local terms energy: -37.186615 where: bonds (distance) C4'-P energy: -4.512 bonds (distance) P-C4' energy: -10.854 flat angles C4'-P-C4' energy: -10.711 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -6.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -184.059569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.059569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.059569 (E_RNA) where: Base-Base interactions energy: -124.204 where: short stacking energy: -49.639 Base-Backbone interact. energy: -0.494 local terms energy: -59.362217 where: bonds (distance) C4'-P energy: -12.837 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -11.448 flat angles P-C4'-P energy: -6.801 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: 2, replica: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -191.815525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.815525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.815525 (E_RNA) where: Base-Base interactions energy: -127.837 where: short stacking energy: -54.584 Base-Backbone interact. energy: -0.285 local terms energy: -63.693412 where: bonds (distance) C4'-P energy: -12.937 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -14.690 flat angles P-C4'-P energy: -8.703 tors. eta vs tors. theta energy: -14.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -177.312460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.312460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.312460 (E_RNA) where: Base-Base interactions energy: -119.457 where: short stacking energy: -47.840 Base-Backbone interact. energy: -0.010 local terms energy: -57.845717 where: bonds (distance) C4'-P energy: -10.904 bonds (distance) P-C4' energy: -13.340 flat angles C4'-P-C4' energy: -13.157 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -11.154 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: 144 Temperature: 1.050000 Total energy: -181.861557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.861557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.861557 (E_RNA) where: Base-Base interactions energy: -120.979 where: short stacking energy: -49.217 Base-Backbone interact. energy: -0.039 local terms energy: -60.843629 where: bonds (distance) C4'-P energy: -14.894 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -11.264 flat angles P-C4'-P energy: -6.650 tors. eta vs tors. theta energy: -14.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -175.659384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.659384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.659384 (E_RNA) where: Base-Base interactions energy: -116.414 where: short stacking energy: -45.891 Base-Backbone interact. energy: -0.083 local terms energy: -59.162129 where: bonds (distance) C4'-P energy: -15.167 bonds (distance) P-C4' energy: -12.460 flat angles C4'-P-C4' energy: -10.664 flat angles P-C4'-P energy: -5.966 tors. eta vs tors. theta energy: -14.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -167.568207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.568207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.568207 (E_RNA) where: Base-Base interactions energy: -112.179 where: short stacking energy: -42.431 Base-Backbone interact. energy: -0.326 local terms energy: -55.063186 where: bonds (distance) C4'-P energy: -11.223 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -9.992 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -11.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -158.370819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.370819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.370819 (E_RNA) where: Base-Base interactions energy: -109.721 where: short stacking energy: -45.458 Base-Backbone interact. energy: -0.034 local terms energy: -48.615520 where: bonds (distance) C4'-P energy: -9.041 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -10.306 flat angles P-C4'-P energy: -5.315 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: 8, replica: 4 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -166.949460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.949460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.949460 (E_RNA) where: Base-Base interactions energy: -112.152 where: short stacking energy: -50.496 Base-Backbone interact. energy: -0.122 local terms energy: -54.674559 where: bonds (distance) C4'-P energy: -10.738 bonds (distance) P-C4' energy: -13.165 flat angles C4'-P-C4' energy: -12.704 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -13.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -74.636370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.636370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.636370 (E_RNA) where: Base-Base interactions energy: -35.116 where: short stacking energy: -22.500 Base-Backbone interact. energy: -0.495 local terms energy: -39.024768 where: bonds (distance) C4'-P energy: -10.089 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -10.331 flat angles P-C4'-P energy: -5.987 tors. eta vs tors. theta energy: -0.707 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: 10, replica: 7 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -64.258923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.258923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.258923 (E_RNA) where: Base-Base interactions energy: -32.207 where: short stacking energy: -20.911 Base-Backbone interact. energy: -0.394 local terms energy: -31.658010 where: bonds (distance) C4'-P energy: -9.711 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: 0.644 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: 8 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -191.295245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.295245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.295245 (E_RNA) where: Base-Base interactions energy: -128.927 where: short stacking energy: -46.788 Base-Backbone interact. energy: -0.380 local terms energy: -61.988464 where: bonds (distance) C4'-P energy: -11.938 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -12.557 flat angles P-C4'-P energy: -9.404 tors. eta vs tors. theta energy: -14.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -176.723131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.723131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.723131 (E_RNA) where: Base-Base interactions energy: -123.209 where: short stacking energy: -54.165 Base-Backbone interact. energy: -0.202 local terms energy: -53.312336 where: bonds (distance) C4'-P energy: -14.261 bonds (distance) P-C4' energy: -10.292 flat angles C4'-P-C4' energy: -6.644 flat angles P-C4'-P energy: -7.152 tors. eta vs tors. theta energy: -14.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -189.702428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.702428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.702428 (E_RNA) where: Base-Base interactions energy: -128.515 where: short stacking energy: -51.997 Base-Backbone interact. energy: -0.533 local terms energy: -60.654796 where: bonds (distance) C4'-P energy: -14.757 bonds (distance) P-C4' energy: -10.708 flat angles C4'-P-C4' energy: -13.594 flat angles P-C4'-P energy: -6.563 tors. eta vs tors. theta energy: -15.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -181.704547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.704547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.704547 (E_RNA) where: Base-Base interactions energy: -125.117 where: short stacking energy: -47.808 Base-Backbone interact. energy: -0.305 local terms energy: -56.282465 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -11.620 flat angles C4'-P-C4' energy: -13.357 flat angles P-C4'-P energy: -7.453 tors. eta vs tors. theta energy: -11.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -178.167775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.167775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.167775 (E_RNA) where: Base-Base interactions energy: -122.476 where: short stacking energy: -53.514 Base-Backbone interact. energy: -0.001 local terms energy: -55.690978 where: bonds (distance) C4'-P energy: -10.164 bonds (distance) P-C4' energy: -9.884 flat angles C4'-P-C4' energy: -13.559 flat angles P-C4'-P energy: -6.378 tors. eta vs tors. theta energy: -15.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -169.962673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.962673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.962673 (E_RNA) where: Base-Base interactions energy: -116.044 where: short stacking energy: -45.940 Base-Backbone interact. energy: -0.005 local terms energy: -53.914192 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -10.362 flat angles C4'-P-C4' energy: -11.830 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -13.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -160.022864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.022864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.022864 (E_RNA) where: Base-Base interactions energy: -103.456 where: short stacking energy: -39.890 Base-Backbone interact. energy: -0.673 local terms energy: -55.894282 where: bonds (distance) C4'-P energy: -11.436 bonds (distance) P-C4' energy: -15.137 flat angles C4'-P-C4' energy: -13.513 flat angles P-C4'-P energy: -5.891 tors. eta vs tors. theta energy: -9.918 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: 8, replica: 4 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -152.728826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.728826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.728826 (E_RNA) where: Base-Base interactions energy: -107.299 where: short stacking energy: -41.710 Base-Backbone interact. energy: -0.006 local terms energy: -45.423648 where: bonds (distance) C4'-P energy: -4.766 bonds (distance) P-C4' energy: -9.964 flat angles C4'-P-C4' energy: -8.509 flat angles P-C4'-P energy: -6.608 tors. eta vs tors. theta energy: -15.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -68.093614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.093614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.093614 (E_RNA) where: Base-Base interactions energy: -26.847 where: short stacking energy: -24.432 Base-Backbone interact. energy: 0.053 local terms energy: -41.299146 where: bonds (distance) C4'-P energy: -9.201 bonds (distance) P-C4' energy: -11.433 flat angles C4'-P-C4' energy: -9.181 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -4.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -63.530420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.530420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.530420 (E_RNA) where: Base-Base interactions energy: -24.670 where: short stacking energy: -23.935 Base-Backbone interact. energy: -0.004 local terms energy: -38.856448 where: bonds (distance) C4'-P energy: -11.437 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -1.420 tors. eta vs tors. theta energy: -8.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -191.536592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.536592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.536592 (E_RNA) where: Base-Base interactions energy: -124.067 where: short stacking energy: -55.891 Base-Backbone interact. energy: 0.355 local terms energy: -67.825038 where: bonds (distance) C4'-P energy: -12.173 bonds (distance) P-C4' energy: -13.283 flat angles C4'-P-C4' energy: -15.629 flat angles P-C4'-P energy: -10.207 tors. eta vs tors. theta energy: -16.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -186.892773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.892773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.892773 (E_RNA) where: Base-Base interactions energy: -124.467 where: short stacking energy: -46.748 Base-Backbone interact. energy: -0.330 local terms energy: -62.095712 where: bonds (distance) C4'-P energy: -13.131 bonds (distance) P-C4' energy: -13.604 flat angles C4'-P-C4' energy: -13.180 flat angles P-C4'-P energy: -7.662 tors. eta vs tors. theta energy: -14.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -178.299413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.299413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.299413 (E_RNA) where: Base-Base interactions energy: -123.800 where: short stacking energy: -46.887 Base-Backbone interact. energy: -1.266 local terms energy: -53.233391 where: bonds (distance) C4'-P energy: -9.393 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -10.823 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: -12.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -176.015519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.015519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.015519 (E_RNA) where: Base-Base interactions energy: -116.049 where: short stacking energy: -48.614 Base-Backbone interact. energy: -0.053 local terms energy: -59.913568 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -11.379 flat angles P-C4'-P energy: -8.559 tors. eta vs tors. theta energy: -13.169 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: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -170.324334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.324334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.324334 (E_RNA) where: Base-Base interactions energy: -116.440 where: short stacking energy: -49.384 Base-Backbone interact. energy: -0.006 local terms energy: -53.878209 where: bonds (distance) C4'-P energy: -9.880 bonds (distance) P-C4' energy: -11.754 flat angles C4'-P-C4' energy: -9.960 flat angles P-C4'-P energy: -10.081 tors. eta vs tors. theta energy: -12.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -173.950947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.950947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.950947 (E_RNA) where: Base-Base interactions energy: -115.749 where: short stacking energy: -53.478 Base-Backbone interact. energy: -0.596 local terms energy: -57.606092 where: bonds (distance) C4'-P energy: -10.708 bonds (distance) P-C4' energy: -13.662 flat angles C4'-P-C4' energy: -11.460 flat angles P-C4'-P energy: -9.446 tors. eta vs tors. theta energy: -12.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -173.048481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.048481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.048481 (E_RNA) where: Base-Base interactions energy: -118.512 where: short stacking energy: -43.479 Base-Backbone interact. energy: 2.441 local terms energy: -56.976990 where: bonds (distance) C4'-P energy: -13.292 bonds (distance) P-C4' energy: -12.304 flat angles C4'-P-C4' energy: -11.875 flat angles P-C4'-P energy: -8.871 tors. eta vs tors. theta energy: -10.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -144.831877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.831877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.831877 (E_RNA) where: Base-Base interactions energy: -96.080 where: short stacking energy: -44.474 Base-Backbone interact. energy: -0.081 local terms energy: -48.670525 where: bonds (distance) C4'-P energy: -10.497 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -10.859 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -8.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -66.502457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.502457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.502457 (E_RNA) where: Base-Base interactions energy: -27.574 where: short stacking energy: -26.920 Base-Backbone interact. energy: 0.658 local terms energy: -39.586271 where: bonds (distance) C4'-P energy: -8.382 bonds (distance) P-C4' energy: -7.608 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -7.323 tors. eta vs tors. theta energy: -3.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -59.278273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.278273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.278273 (E_RNA) where: Base-Base interactions energy: -22.725 where: short stacking energy: -17.528 Base-Backbone interact. energy: -0.971 local terms energy: -35.582255 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -10.207 flat angles C4'-P-C4' energy: -9.063 flat angles P-C4'-P energy: -7.494 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -187.996818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.996818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.996818 (E_RNA) where: Base-Base interactions energy: -128.255 where: short stacking energy: -47.960 Base-Backbone interact. energy: -0.003 local terms energy: -59.739045 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -12.923 flat angles C4'-P-C4' energy: -10.268 flat angles P-C4'-P energy: -7.285 tors. eta vs tors. theta energy: -16.430 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: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -185.364266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.364266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.364266 (E_RNA) where: Base-Base interactions energy: -120.933 where: short stacking energy: -47.982 Base-Backbone interact. energy: -0.446 local terms energy: -63.985723 where: bonds (distance) C4'-P energy: -13.516 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -11.193 flat angles P-C4'-P energy: -11.198 tors. eta vs tors. theta energy: -12.753 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: 8 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -176.291112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.291112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.291112 (E_RNA) where: Base-Base interactions energy: -119.493 where: short stacking energy: -46.589 Base-Backbone interact. energy: -0.092 local terms energy: -56.706386 where: bonds (distance) C4'-P energy: -10.219 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -12.919 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -11.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -179.010363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.010363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.010363 (E_RNA) where: Base-Base interactions energy: -121.218 where: short stacking energy: -50.259 Base-Backbone interact. energy: -0.143 local terms energy: -57.649565 where: bonds (distance) C4'-P energy: -10.536 bonds (distance) P-C4' energy: -12.996 flat angles C4'-P-C4' energy: -14.916 flat angles P-C4'-P energy: -5.213 tors. eta vs tors. theta energy: -13.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -174.697540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.697540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.697540 (E_RNA) where: Base-Base interactions energy: -116.776 where: short stacking energy: -48.629 Base-Backbone interact. energy: -0.127 local terms energy: -57.794712 where: bonds (distance) C4'-P energy: -11.818 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -11.789 flat angles P-C4'-P energy: -9.141 tors. eta vs tors. theta energy: -12.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -173.857897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.857897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.857897 (E_RNA) where: Base-Base interactions energy: -116.188 where: short stacking energy: -53.834 Base-Backbone interact. energy: -0.100 local terms energy: -57.569666 where: bonds (distance) C4'-P energy: -11.000 bonds (distance) P-C4' energy: -13.534 flat angles C4'-P-C4' energy: -10.882 flat angles P-C4'-P energy: -6.736 tors. eta vs tors. theta energy: -15.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -167.306804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.306804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.306804 (E_RNA) where: Base-Base interactions energy: -114.222 where: short stacking energy: -45.672 Base-Backbone interact. energy: -0.317 local terms energy: -52.767516 where: bonds (distance) C4'-P energy: -8.261 bonds (distance) P-C4' energy: -11.007 flat angles C4'-P-C4' energy: -10.027 flat angles P-C4'-P energy: -9.337 tors. eta vs tors. theta energy: -14.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -160.401408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.401408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.401408 (E_RNA) where: Base-Base interactions energy: -107.972 where: short stacking energy: -43.388 Base-Backbone interact. energy: -0.310 local terms energy: -52.119256 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -10.844 flat angles C4'-P-C4' energy: -9.837 flat angles P-C4'-P energy: -6.239 tors. eta vs tors. theta energy: -12.352 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: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -70.564743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.564743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.564743 (E_RNA) where: Base-Base interactions energy: -27.964 where: short stacking energy: -27.783 Base-Backbone interact. energy: -0.017 local terms energy: -42.583240 where: bonds (distance) C4'-P energy: -12.547 bonds (distance) P-C4' energy: -9.548 flat angles C4'-P-C4' energy: -11.212 flat angles P-C4'-P energy: -5.017 tors. eta vs tors. theta energy: -4.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -60.988055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.988055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.988055 (E_RNA) where: Base-Base interactions energy: -30.059 where: short stacking energy: -10.953 Base-Backbone interact. energy: -0.143 local terms energy: -30.785989 where: bonds (distance) C4'-P energy: -9.989 bonds (distance) P-C4' energy: -13.592 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: 5.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -195.907147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.907147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.907147 (E_RNA) where: Base-Base interactions energy: -134.489 where: short stacking energy: -52.510 Base-Backbone interact. energy: -0.506 local terms energy: -60.912229 where: bonds (distance) C4'-P energy: -11.562 bonds (distance) P-C4' energy: -12.847 flat angles C4'-P-C4' energy: -13.139 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -14.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -172.627725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.627725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.627725 (E_RNA) where: Base-Base interactions energy: -118.072 where: short stacking energy: -51.979 Base-Backbone interact. energy: -0.011 local terms energy: -54.545484 where: bonds (distance) C4'-P energy: -9.781 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -10.781 flat angles P-C4'-P energy: -8.234 tors. eta vs tors. theta energy: -12.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -190.874466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.874466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.874466 (E_RNA) where: Base-Base interactions energy: -127.411 where: short stacking energy: -54.960 Base-Backbone interact. energy: -0.106 local terms energy: -63.357487 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -11.880 flat angles P-C4'-P energy: -9.620 tors. eta vs tors. theta energy: -16.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -179.844719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.844719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.844719 (E_RNA) where: Base-Base interactions energy: -124.279 where: short stacking energy: -55.157 Base-Backbone interact. energy: -0.000 local terms energy: -55.565007 where: bonds (distance) C4'-P energy: -12.555 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -12.753 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -13.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -173.707065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.707065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.707065 (E_RNA) where: Base-Base interactions energy: -114.671 where: short stacking energy: -48.821 Base-Backbone interact. energy: -0.003 local terms energy: -59.033995 where: bonds (distance) C4'-P energy: -12.501 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -12.650 flat angles P-C4'-P energy: -7.828 tors. eta vs tors. theta energy: -13.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -172.115763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.115763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.115763 (E_RNA) where: Base-Base interactions energy: -117.266 where: short stacking energy: -45.390 Base-Backbone interact. energy: 0.262 local terms energy: -55.112315 where: bonds (distance) C4'-P energy: -9.810 bonds (distance) P-C4' energy: -11.589 flat angles C4'-P-C4' energy: -12.588 flat angles P-C4'-P energy: -6.022 tors. eta vs tors. theta energy: -15.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -176.746591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.746591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.746591 (E_RNA) where: Base-Base interactions energy: -120.838 where: short stacking energy: -52.868 Base-Backbone interact. energy: -0.112 local terms energy: -55.796245 where: bonds (distance) C4'-P energy: -11.423 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -11.822 flat angles P-C4'-P energy: -6.974 tors. eta vs tors. theta energy: -16.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -153.945331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.945331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.945331 (E_RNA) where: Base-Base interactions energy: -111.537 where: short stacking energy: -50.470 Base-Backbone interact. energy: -0.711 local terms energy: -41.697739 where: bonds (distance) C4'-P energy: -7.814 bonds (distance) P-C4' energy: -2.973 flat angles C4'-P-C4' energy: -10.186 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -13.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -61.442180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.442180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.442180 (E_RNA) where: Base-Base interactions energy: -23.508 where: short stacking energy: -15.581 Base-Backbone interact. energy: -0.280 local terms energy: -37.654423 where: bonds (distance) C4'-P energy: -11.489 bonds (distance) P-C4' energy: -12.051 flat angles C4'-P-C4' energy: -8.195 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: 0.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -64.454507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.454507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.454507 (E_RNA) where: Base-Base interactions energy: -22.518 where: short stacking energy: -22.518 Base-Backbone interact. energy: -0.007 local terms energy: -41.929080 where: bonds (distance) C4'-P energy: -9.732 bonds (distance) P-C4' energy: -11.028 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -9.760 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: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -191.884516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.884516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.884516 (E_RNA) where: Base-Base interactions energy: -128.358 where: short stacking energy: -49.291 Base-Backbone interact. energy: -0.017 local terms energy: -63.509779 where: bonds (distance) C4'-P energy: -11.347 bonds (distance) P-C4' energy: -13.662 flat angles C4'-P-C4' energy: -10.864 flat angles P-C4'-P energy: -8.539 tors. eta vs tors. theta energy: -19.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -192.371319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.371319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.371319 (E_RNA) where: Base-Base interactions energy: -126.466 where: short stacking energy: -47.318 Base-Backbone interact. energy: -1.055 local terms energy: -64.850718 where: bonds (distance) C4'-P energy: -11.852 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -13.178 flat angles P-C4'-P energy: -10.550 tors. eta vs tors. theta energy: -16.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -186.943709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.943709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.943709 (E_RNA) where: Base-Base interactions energy: -124.673 where: short stacking energy: -48.001 Base-Backbone interact. energy: -0.003 local terms energy: -62.268132 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -13.592 flat angles C4'-P-C4' energy: -12.022 flat angles P-C4'-P energy: -10.784 tors. eta vs tors. theta energy: -13.882 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: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -187.453345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.453345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.453345 (E_RNA) where: Base-Base interactions energy: -124.106 where: short stacking energy: -50.895 Base-Backbone interact. energy: -0.000 local terms energy: -63.346763 where: bonds (distance) C4'-P energy: -10.514 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -11.908 flat angles P-C4'-P energy: -9.547 tors. eta vs tors. theta energy: -17.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -176.685689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.685689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.685689 (E_RNA) where: Base-Base interactions energy: -118.530 where: short stacking energy: -50.468 Base-Backbone interact. energy: -0.122 local terms energy: -58.033796 where: bonds (distance) C4'-P energy: -5.816 bonds (distance) P-C4' energy: -12.951 flat angles C4'-P-C4' energy: -14.755 flat angles P-C4'-P energy: -9.803 tors. eta vs tors. theta energy: -14.708 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: 149 Temperature: 1.150000 Total energy: -169.830987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.830987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.830987 (E_RNA) where: Base-Base interactions energy: -118.411 where: short stacking energy: -50.171 Base-Backbone interact. energy: -0.445 local terms energy: -50.975042 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -5.285 tors. eta vs tors. theta energy: -10.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -169.691291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.691291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.691291 (E_RNA) where: Base-Base interactions energy: -116.370 where: short stacking energy: -48.095 Base-Backbone interact. energy: -0.402 local terms energy: -52.920097 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -12.370 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -15.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -154.639781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.639781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.639781 (E_RNA) where: Base-Base interactions energy: -105.782 where: short stacking energy: -40.390 Base-Backbone interact. energy: -0.724 local terms energy: -48.133483 where: bonds (distance) C4'-P energy: -11.587 bonds (distance) P-C4' energy: -8.845 flat angles C4'-P-C4' energy: -10.083 flat angles P-C4'-P energy: -6.119 tors. eta vs tors. theta energy: -11.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -59.530624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.530624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.530624 (E_RNA) where: Base-Base interactions energy: -20.517 where: short stacking energy: -20.517 Base-Backbone interact. energy: -0.103 local terms energy: -38.910807 where: bonds (distance) C4'-P energy: -9.163 bonds (distance) P-C4' energy: -12.057 flat angles C4'-P-C4' energy: -12.024 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -2.518 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: 149 Temperature: 1.350000 Total energy: -63.341454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.341454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.341454 (E_RNA) where: Base-Base interactions energy: -27.551 where: short stacking energy: -8.518 Base-Backbone interact. energy: -0.811 local terms energy: -34.979625 where: bonds (distance) C4'-P energy: -10.524 bonds (distance) P-C4' energy: -10.858 flat angles C4'-P-C4' energy: -10.859 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: 3.270 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: 9 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -194.189425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.189425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.189425 (E_RNA) where: Base-Base interactions energy: -135.276 where: short stacking energy: -55.655 Base-Backbone interact. energy: -0.001 local terms energy: -58.911766 where: bonds (distance) C4'-P energy: -11.633 bonds (distance) P-C4' energy: -10.644 flat angles C4'-P-C4' energy: -14.252 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -16.740 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: 2 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -187.915243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.915243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.915243 (E_RNA) where: Base-Base interactions energy: -125.138 where: short stacking energy: -52.476 Base-Backbone interact. energy: -0.085 local terms energy: -62.692317 where: bonds (distance) C4'-P energy: -14.128 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -12.721 flat angles P-C4'-P energy: -6.546 tors. eta vs tors. theta energy: -15.138 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: 3, replica: 6 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -184.173464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.173464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.173464 (E_RNA) where: Base-Base interactions energy: -124.371 where: short stacking energy: -50.030 Base-Backbone interact. energy: -0.267 local terms energy: -59.535830 where: bonds (distance) C4'-P energy: -13.122 bonds (distance) P-C4' energy: -8.242 flat angles C4'-P-C4' energy: -13.974 flat angles P-C4'-P energy: -8.791 tors. eta vs tors. theta energy: -15.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -177.070548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.070548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.070548 (E_RNA) where: Base-Base interactions energy: -120.847 where: short stacking energy: -49.168 Base-Backbone interact. energy: -0.509 local terms energy: -55.714787 where: bonds (distance) C4'-P energy: -10.345 bonds (distance) P-C4' energy: -10.909 flat angles C4'-P-C4' energy: -10.821 flat angles P-C4'-P energy: -8.168 tors. eta vs tors. theta energy: -15.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -176.252383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.252383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.252383 (E_RNA) where: Base-Base interactions energy: -120.794 where: short stacking energy: -49.279 Base-Backbone interact. energy: -0.219 local terms energy: -55.239181 where: bonds (distance) C4'-P energy: -11.897 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -12.799 flat angles P-C4'-P energy: -6.612 tors. eta vs tors. theta energy: -11.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -167.985916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.985916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.985916 (E_RNA) where: Base-Base interactions energy: -111.140 where: short stacking energy: -45.390 Base-Backbone interact. energy: 0.184 local terms energy: -57.029595 where: bonds (distance) C4'-P energy: -11.322 bonds (distance) P-C4' energy: -13.493 flat angles C4'-P-C4' energy: -8.973 flat angles P-C4'-P energy: -8.442 tors. eta vs tors. theta energy: -14.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -168.379210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.379210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.379210 (E_RNA) where: Base-Base interactions energy: -118.659 where: short stacking energy: -48.690 Base-Backbone interact. energy: -0.001 local terms energy: -49.719587 where: bonds (distance) C4'-P energy: -10.522 bonds (distance) P-C4' energy: -11.675 flat angles C4'-P-C4' energy: -10.561 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -13.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -156.253875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.253875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.253875 (E_RNA) where: Base-Base interactions energy: -107.001 where: short stacking energy: -40.282 Base-Backbone interact. energy: -0.194 local terms energy: -49.059303 where: bonds (distance) C4'-P energy: -8.514 bonds (distance) P-C4' energy: -9.328 flat angles C4'-P-C4' energy: -11.412 flat angles P-C4'-P energy: -8.130 tors. eta vs tors. theta energy: -11.676 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: 1 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -71.305520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.305520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.305520 (E_RNA) where: Base-Base interactions energy: -31.884 where: short stacking energy: -31.884 Base-Backbone interact. energy: -0.094 local terms energy: -39.327482 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -10.358 flat angles P-C4'-P energy: -2.648 tors. eta vs tors. theta energy: -5.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -70.172450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.172450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.172450 (E_RNA) where: Base-Base interactions energy: -30.074 where: short stacking energy: -30.064 Base-Backbone interact. energy: -0.003 local terms energy: -40.095234 where: bonds (distance) C4'-P energy: -10.883 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -9.453 flat angles P-C4'-P energy: -1.345 tors. eta vs tors. theta energy: -4.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -196.602098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.602098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.602098 (E_RNA) where: Base-Base interactions energy: -131.330 where: short stacking energy: -49.617 Base-Backbone interact. energy: -0.358 local terms energy: -64.913960 where: bonds (distance) C4'-P energy: -12.580 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -11.194 flat angles P-C4'-P energy: -11.009 tors. eta vs tors. theta energy: -16.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -184.227409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.227409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.227409 (E_RNA) where: Base-Base interactions energy: -127.433 where: short stacking energy: -57.426 Base-Backbone interact. energy: -0.005 local terms energy: -56.788814 where: bonds (distance) C4'-P energy: -10.416 bonds (distance) P-C4' energy: -12.387 flat angles C4'-P-C4' energy: -12.112 flat angles P-C4'-P energy: -8.330 tors. eta vs tors. theta energy: -13.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -185.820436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.820436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.820436 (E_RNA) where: Base-Base interactions energy: -120.687 where: short stacking energy: -45.410 Base-Backbone interact. energy: -0.460 local terms energy: -64.673471 where: bonds (distance) C4'-P energy: -12.316 bonds (distance) P-C4' energy: -10.676 flat angles C4'-P-C4' energy: -14.646 flat angles P-C4'-P energy: -9.934 tors. eta vs tors. theta energy: -17.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -183.427705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.427705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.427705 (E_RNA) where: Base-Base interactions energy: -122.678 where: short stacking energy: -49.328 Base-Backbone interact. energy: -0.158 local terms energy: -60.591926 where: bonds (distance) C4'-P energy: -14.232 bonds (distance) P-C4' energy: -12.542 flat angles C4'-P-C4' energy: -10.875 flat angles P-C4'-P energy: -8.975 tors. eta vs tors. theta energy: -13.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -175.033118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.033118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.033118 (E_RNA) where: Base-Base interactions energy: -117.894 where: short stacking energy: -51.111 Base-Backbone interact. energy: -0.842 local terms energy: -56.296368 where: bonds (distance) C4'-P energy: -12.192 bonds (distance) P-C4' energy: -9.494 flat angles C4'-P-C4' energy: -13.544 flat angles P-C4'-P energy: -8.701 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: 6, replica: 8 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -172.033776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.033776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.033776 (E_RNA) where: Base-Base interactions energy: -118.467 where: short stacking energy: -47.302 Base-Backbone interact. energy: -0.196 local terms energy: -53.370869 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -12.435 flat angles C4'-P-C4' energy: -12.303 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -10.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -171.022053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.022053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.022053 (E_RNA) where: Base-Base interactions energy: -115.331 where: short stacking energy: -43.217 Base-Backbone interact. energy: -1.053 local terms energy: -54.637323 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -9.822 flat angles C4'-P-C4' energy: -12.946 flat angles P-C4'-P energy: -10.966 tors. eta vs tors. theta energy: -14.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -164.881836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.881836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.881836 (E_RNA) where: Base-Base interactions energy: -106.753 where: short stacking energy: -45.775 Base-Backbone interact. energy: -0.002 local terms energy: -58.126819 where: bonds (distance) C4'-P energy: -12.519 bonds (distance) P-C4' energy: -13.330 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -9.332 tors. eta vs tors. theta energy: -14.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -61.654005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.654005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.654005 (E_RNA) where: Base-Base interactions energy: -23.413 where: short stacking energy: -15.293 Base-Backbone interact. energy: -0.128 local terms energy: -38.112703 where: bonds (distance) C4'-P energy: -12.129 bonds (distance) P-C4' energy: -10.802 flat angles C4'-P-C4' energy: -10.803 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: -1.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -59.792382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.792382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.792382 (E_RNA) where: Base-Base interactions energy: -13.898 where: short stacking energy: -13.898 Base-Backbone interact. energy: -0.050 local terms energy: -45.843840 where: bonds (distance) C4'-P energy: -14.178 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -8.260 flat angles P-C4'-P energy: -7.761 tors. eta vs tors. theta energy: -2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -196.111353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.111353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.111353 (E_RNA) where: Base-Base interactions energy: -131.623 where: short stacking energy: -56.047 Base-Backbone interact. energy: -0.092 local terms energy: -64.396787 where: bonds (distance) C4'-P energy: -11.826 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -7.103 tors. eta vs tors. theta energy: -18.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -190.912485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.912485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.912485 (E_RNA) where: Base-Base interactions energy: -130.697 where: short stacking energy: -54.162 Base-Backbone interact. energy: -0.002 local terms energy: -60.214254 where: bonds (distance) C4'-P energy: -11.727 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -10.268 flat angles P-C4'-P energy: -8.550 tors. eta vs tors. theta energy: -15.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -178.691318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.691318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.691318 (E_RNA) where: Base-Base interactions energy: -118.175 where: short stacking energy: -51.887 Base-Backbone interact. energy: -0.332 local terms energy: -60.184214 where: bonds (distance) C4'-P energy: -8.639 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -13.502 flat angles P-C4'-P energy: -8.889 tors. eta vs tors. theta energy: -16.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -178.020754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.020754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.020754 (E_RNA) where: Base-Base interactions energy: -124.258 where: short stacking energy: -52.677 Base-Backbone interact. energy: -0.083 local terms energy: -53.679564 where: bonds (distance) C4'-P energy: -11.532 bonds (distance) P-C4' energy: -13.039 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -13.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -184.572841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.572841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.572841 (E_RNA) where: Base-Base interactions energy: -124.703 where: short stacking energy: -45.758 Base-Backbone interact. energy: -0.240 local terms energy: -59.629946 where: bonds (distance) C4'-P energy: -11.811 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -9.960 flat angles P-C4'-P energy: -7.442 tors. eta vs tors. theta energy: -16.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -167.937942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.937942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.937942 (E_RNA) where: Base-Base interactions energy: -110.968 where: short stacking energy: -47.204 Base-Backbone interact. energy: -0.172 local terms energy: -56.797761 where: bonds (distance) C4'-P energy: -11.657 bonds (distance) P-C4' energy: -9.385 flat angles C4'-P-C4' energy: -12.042 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -13.635 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: 10 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -150.614812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.614812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.614812 (E_RNA) where: Base-Base interactions energy: -106.938 where: short stacking energy: -40.732 Base-Backbone interact. energy: 0.107 local terms energy: -43.783733 where: bonds (distance) C4'-P energy: -7.895 bonds (distance) P-C4' energy: -9.468 flat angles C4'-P-C4' energy: -9.455 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -8.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -166.524972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.524972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.524972 (E_RNA) where: Base-Base interactions energy: -117.376 where: short stacking energy: -51.560 Base-Backbone interact. energy: -0.039 local terms energy: -49.109422 where: bonds (distance) C4'-P energy: -10.059 bonds (distance) P-C4' energy: -9.869 flat angles C4'-P-C4' energy: -11.204 flat angles P-C4'-P energy: -7.144 tors. eta vs tors. theta energy: -10.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -63.906588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.906588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.906588 (E_RNA) where: Base-Base interactions energy: -23.052 where: short stacking energy: -20.259 Base-Backbone interact. energy: -0.187 local terms energy: -40.667992 where: bonds (distance) C4'-P energy: -12.200 bonds (distance) P-C4' energy: -9.748 flat angles C4'-P-C4' energy: -9.345 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -4.861 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: 7 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -79.132247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.132247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.132247 (E_RNA) where: Base-Base interactions energy: -36.069 where: short stacking energy: -33.521 Base-Backbone interact. energy: -0.971 local terms energy: -42.092722 where: bonds (distance) C4'-P energy: -10.246 bonds (distance) P-C4' energy: -11.609 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -5.809 tors. eta vs tors. theta energy: -9.600 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: 2 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -194.540415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.540415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.540415 (E_RNA) where: Base-Base interactions energy: -137.384 where: short stacking energy: -52.768 Base-Backbone interact. energy: -0.096 local terms energy: -57.060385 where: bonds (distance) C4'-P energy: -12.887 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -8.281 flat angles P-C4'-P energy: -8.798 tors. eta vs tors. theta energy: -13.556 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: 4 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -182.749520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.749520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.749520 (E_RNA) where: Base-Base interactions energy: -122.899 where: short stacking energy: -48.149 Base-Backbone interact. energy: -0.006 local terms energy: -59.844477 where: bonds (distance) C4'-P energy: -13.942 bonds (distance) P-C4' energy: -13.086 flat angles C4'-P-C4' energy: -15.301 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -12.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -191.168260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.168260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.168260 (E_RNA) where: Base-Base interactions energy: -133.301 where: short stacking energy: -57.590 Base-Backbone interact. energy: -0.148 local terms energy: -57.719565 where: bonds (distance) C4'-P energy: -12.783 bonds (distance) P-C4' energy: -9.928 flat angles C4'-P-C4' energy: -10.472 flat angles P-C4'-P energy: -5.755 tors. eta vs tors. theta energy: -18.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -178.003822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.003822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.003822 (E_RNA) where: Base-Base interactions energy: -122.561 where: short stacking energy: -46.814 Base-Backbone interact. energy: -0.791 local terms energy: -54.652392 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -9.481 flat angles P-C4'-P energy: -8.575 tors. eta vs tors. theta energy: -11.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -175.462871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.462871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.462871 (E_RNA) where: Base-Base interactions energy: -114.813 where: short stacking energy: -45.376 Base-Backbone interact. energy: -1.150 local terms energy: -59.500223 where: bonds (distance) C4'-P energy: -13.764 bonds (distance) P-C4' energy: -10.101 flat angles C4'-P-C4' energy: -9.902 flat angles P-C4'-P energy: -9.073 tors. eta vs tors. theta energy: -16.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -174.762225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.762225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.762225 (E_RNA) where: Base-Base interactions energy: -120.854 where: short stacking energy: -48.694 Base-Backbone interact. energy: -0.024 local terms energy: -53.883945 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -8.785 flat angles C4'-P-C4' energy: -12.830 flat angles P-C4'-P energy: -9.356 tors. eta vs tors. theta energy: -16.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -168.262447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.262447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.262447 (E_RNA) where: Base-Base interactions energy: -112.560 where: short stacking energy: -46.642 Base-Backbone interact. energy: -0.001 local terms energy: -55.701333 where: bonds (distance) C4'-P energy: -10.627 bonds (distance) P-C4' energy: -11.478 flat angles C4'-P-C4' energy: -11.431 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -12.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -67.962115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.962115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.962115 (E_RNA) where: Base-Base interactions energy: -25.720 where: short stacking energy: -25.720 Base-Backbone interact. energy: -0.156 local terms energy: -42.086894 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -7.176 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -5.861 tors. eta vs tors. theta energy: -6.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -149.480938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.480938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.480938 (E_RNA) where: Base-Base interactions energy: -100.693 where: short stacking energy: -38.799 Base-Backbone interact. energy: -0.176 local terms energy: -48.611968 where: bonds (distance) C4'-P energy: -10.807 bonds (distance) P-C4' energy: -11.714 flat angles C4'-P-C4' energy: -10.630 flat angles P-C4'-P energy: -6.634 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: 10, replica: 7 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -59.631562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.631562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.631562 (E_RNA) where: Base-Base interactions energy: -11.998 where: short stacking energy: -11.998 Base-Backbone interact. energy: -0.504 local terms energy: -47.130029 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -9.035 flat angles P-C4'-P energy: -9.441 tors. eta vs tors. theta energy: -1.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -186.235734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.235734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.235734 (E_RNA) where: Base-Base interactions energy: -126.082 where: short stacking energy: -51.375 Base-Backbone interact. energy: -0.046 local terms energy: -60.107579 where: bonds (distance) C4'-P energy: -13.165 bonds (distance) P-C4' energy: -11.035 flat angles C4'-P-C4' energy: -12.129 flat angles P-C4'-P energy: -9.566 tors. eta vs tors. theta energy: -14.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -193.664820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.664820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.664820 (E_RNA) where: Base-Base interactions energy: -133.755 where: short stacking energy: -51.093 Base-Backbone interact. energy: -0.127 local terms energy: -59.783344 where: bonds (distance) C4'-P energy: -10.795 bonds (distance) P-C4' energy: -12.818 flat angles C4'-P-C4' energy: -9.973 flat angles P-C4'-P energy: -9.624 tors. eta vs tors. theta energy: -16.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -183.686794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.686794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.686794 (E_RNA) where: Base-Base interactions energy: -131.124 where: short stacking energy: -50.105 Base-Backbone interact. energy: -0.420 local terms energy: -52.142832 where: bonds (distance) C4'-P energy: -14.919 bonds (distance) P-C4' energy: -10.381 flat angles C4'-P-C4' energy: -8.167 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -14.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -182.414393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.414393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.414393 (E_RNA) where: Base-Base interactions energy: -115.341 where: short stacking energy: -44.433 Base-Backbone interact. energy: -0.684 local terms energy: -66.389558 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -13.968 flat angles P-C4'-P energy: -9.620 tors. eta vs tors. theta energy: -14.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -180.877889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.877889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.877889 (E_RNA) where: Base-Base interactions energy: -125.120 where: short stacking energy: -51.092 Base-Backbone interact. energy: -0.007 local terms energy: -55.751738 where: bonds (distance) C4'-P energy: -12.331 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -9.918 flat angles P-C4'-P energy: -5.069 tors. eta vs tors. theta energy: -14.073 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: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -178.977924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.977924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.977924 (E_RNA) where: Base-Base interactions energy: -122.155 where: short stacking energy: -46.968 Base-Backbone interact. energy: -1.740 local terms energy: -55.082369 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -13.054 flat angles C4'-P-C4' energy: -11.135 flat angles P-C4'-P energy: -5.198 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: 7, replica: 10 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -165.461961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.461961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.461961 (E_RNA) where: Base-Base interactions energy: -114.700 where: short stacking energy: -37.383 Base-Backbone interact. energy: 0.151 local terms energy: -50.912894 where: bonds (distance) C4'-P energy: -8.150 bonds (distance) P-C4' energy: -12.978 flat angles C4'-P-C4' energy: -9.614 flat angles P-C4'-P energy: -7.337 tors. eta vs tors. theta energy: -12.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -72.254201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.254201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.254201 (E_RNA) where: Base-Base interactions energy: -33.126 where: short stacking energy: -30.069 Base-Backbone interact. energy: -0.101 local terms energy: -39.027267 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -9.982 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -2.091 tors. eta vs tors. theta energy: -7.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -147.848933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.848933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.848933 (E_RNA) where: Base-Base interactions energy: -103.208 where: short stacking energy: -44.329 Base-Backbone interact. energy: -0.097 local terms energy: -44.544082 where: bonds (distance) C4'-P energy: -7.429 bonds (distance) P-C4' energy: -12.226 flat angles C4'-P-C4' energy: -11.881 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -7.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -69.482160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.482160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.482160 (E_RNA) where: Base-Base interactions energy: -28.492 where: short stacking energy: -18.057 Base-Backbone interact. energy: -0.519 local terms energy: -40.470277 where: bonds (distance) C4'-P energy: -5.986 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -10.467 tors. eta vs tors. theta energy: -5.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -185.565908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.565908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.565908 (E_RNA) where: Base-Base interactions energy: -129.810 where: short stacking energy: -50.370 Base-Backbone interact. energy: 1.100 local terms energy: -56.855308 where: bonds (distance) C4'-P energy: -10.398 bonds (distance) P-C4' energy: -14.460 flat angles C4'-P-C4' energy: -8.557 flat angles P-C4'-P energy: -9.704 tors. eta vs tors. theta energy: -13.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -186.922747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.922747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.922747 (E_RNA) where: Base-Base interactions energy: -124.497 where: short stacking energy: -47.409 Base-Backbone interact. energy: -0.374 local terms energy: -62.051975 where: bonds (distance) C4'-P energy: -12.431 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -14.373 flat angles P-C4'-P energy: -5.288 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: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -185.347486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.347486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.347486 (E_RNA) where: Base-Base interactions energy: -122.873 where: short stacking energy: -46.226 Base-Backbone interact. energy: -0.254 local terms energy: -62.220492 where: bonds (distance) C4'-P energy: -10.995 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -16.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -178.748183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.748183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.748183 (E_RNA) where: Base-Base interactions energy: -120.823 where: short stacking energy: -47.961 Base-Backbone interact. energy: -0.001 local terms energy: -57.923595 where: bonds (distance) C4'-P energy: -11.678 bonds (distance) P-C4' energy: -11.867 flat angles C4'-P-C4' energy: -12.752 flat angles P-C4'-P energy: -8.795 tors. eta vs tors. theta energy: -12.831 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: 155 Temperature: 1.100000 Total energy: -169.989872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.989872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.989872 (E_RNA) where: Base-Base interactions energy: -116.885 where: short stacking energy: -42.635 Base-Backbone interact. energy: -0.490 local terms energy: -52.614414 where: bonds (distance) C4'-P energy: -9.712 bonds (distance) P-C4' energy: -10.544 flat angles C4'-P-C4' energy: -13.366 flat angles P-C4'-P energy: -6.000 tors. eta vs tors. theta energy: -12.993 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: 10 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -167.494958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.494958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.494958 (E_RNA) where: Base-Base interactions energy: -112.241 where: short stacking energy: -50.806 Base-Backbone interact. energy: -0.016 local terms energy: -55.238489 where: bonds (distance) C4'-P energy: -13.914 bonds (distance) P-C4' energy: -10.055 flat angles C4'-P-C4' energy: -11.327 flat angles P-C4'-P energy: -6.292 tors. eta vs tors. theta energy: -13.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -163.381043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.381043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.381043 (E_RNA) where: Base-Base interactions energy: -108.565 where: short stacking energy: -37.907 Base-Backbone interact. energy: -0.449 local terms energy: -54.367006 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -13.208 flat angles C4'-P-C4' energy: -11.587 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: -14.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -171.440563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.440563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.440563 (E_RNA) where: Base-Base interactions energy: -117.364 where: short stacking energy: -46.090 Base-Backbone interact. energy: -0.065 local terms energy: -54.011550 where: bonds (distance) C4'-P energy: -8.349 bonds (distance) P-C4' energy: -12.417 flat angles C4'-P-C4' energy: -9.044 flat angles P-C4'-P energy: -8.585 tors. eta vs tors. theta energy: -15.617 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: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -62.929935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.929935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.929935 (E_RNA) where: Base-Base interactions energy: -24.546 where: short stacking energy: -19.402 Base-Backbone interact. energy: -0.085 local terms energy: -38.298908 where: bonds (distance) C4'-P energy: -8.482 bonds (distance) P-C4' energy: -13.475 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -8.451 tors. eta vs tors. theta energy: -2.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -65.679723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.679723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.679723 (E_RNA) where: Base-Base interactions energy: -20.973 where: short stacking energy: -17.681 Base-Backbone interact. energy: -0.528 local terms energy: -44.178772 where: bonds (distance) C4'-P energy: -12.171 bonds (distance) P-C4' energy: -9.692 flat angles C4'-P-C4' energy: -13.217 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -4.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -191.710344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.710344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.710344 (E_RNA) where: Base-Base interactions energy: -129.207 where: short stacking energy: -56.540 Base-Backbone interact. energy: -0.085 local terms energy: -62.418430 where: bonds (distance) C4'-P energy: -14.227 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -10.706 flat angles P-C4'-P energy: -6.603 tors. eta vs tors. theta energy: -16.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -186.389500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.389500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.389500 (E_RNA) where: Base-Base interactions energy: -126.838 where: short stacking energy: -55.261 Base-Backbone interact. energy: -0.472 local terms energy: -59.079836 where: bonds (distance) C4'-P energy: -12.046 bonds (distance) P-C4' energy: -11.779 flat angles C4'-P-C4' energy: -10.130 flat angles P-C4'-P energy: -6.814 tors. eta vs tors. theta energy: -18.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -185.517286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.517286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.517286 (E_RNA) where: Base-Base interactions energy: -127.876 where: short stacking energy: -46.774 Base-Backbone interact. energy: -0.015 local terms energy: -57.625574 where: bonds (distance) C4'-P energy: -12.792 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -9.961 flat angles P-C4'-P energy: -7.673 tors. eta vs tors. theta energy: -13.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -177.092016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.092016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.092016 (E_RNA) where: Base-Base interactions energy: -122.767 where: short stacking energy: -44.780 Base-Backbone interact. energy: 0.051 local terms energy: -54.376020 where: bonds (distance) C4'-P energy: -9.562 bonds (distance) P-C4' energy: -13.477 flat angles C4'-P-C4' energy: -10.662 flat angles P-C4'-P energy: -7.462 tors. eta vs tors. theta energy: -13.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -179.689294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.689294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.689294 (E_RNA) where: Base-Base interactions energy: -124.131 where: short stacking energy: -52.618 Base-Backbone interact. energy: 0.545 local terms energy: -56.103307 where: bonds (distance) C4'-P energy: -10.610 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -12.889 flat angles P-C4'-P energy: -5.131 tors. eta vs tors. theta energy: -14.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -175.134074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.134074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.134074 (E_RNA) where: Base-Base interactions energy: -112.200 where: short stacking energy: -48.057 Base-Backbone interact. energy: -0.091 local terms energy: -62.842545 where: bonds (distance) C4'-P energy: -13.167 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -8.338 tors. eta vs tors. theta energy: -15.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -175.029424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.029424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.029424 (E_RNA) where: Base-Base interactions energy: -122.509 where: short stacking energy: -44.654 Base-Backbone interact. energy: -0.072 local terms energy: -52.448098 where: bonds (distance) C4'-P energy: -10.654 bonds (distance) P-C4' energy: -11.890 flat angles C4'-P-C4' energy: -8.198 flat angles P-C4'-P energy: -10.365 tors. eta vs tors. theta energy: -11.342 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: 5 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -167.708434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.708434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.708434 (E_RNA) where: Base-Base interactions energy: -121.558 where: short stacking energy: -42.830 Base-Backbone interact. energy: -0.482 local terms energy: -45.668928 where: bonds (distance) C4'-P energy: -8.016 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -13.952 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: -12.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -73.970322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.970322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.970322 (E_RNA) where: Base-Base interactions energy: -39.719 where: short stacking energy: -26.585 Base-Backbone interact. energy: -0.109 local terms energy: -34.142887 where: bonds (distance) C4'-P energy: -8.063 bonds (distance) P-C4' energy: -10.809 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -6.519 tors. eta vs tors. theta energy: -0.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -63.535256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.535256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.535256 (E_RNA) where: Base-Base interactions energy: -35.595 where: short stacking energy: -15.241 Base-Backbone interact. energy: -0.201 local terms energy: -27.739136 where: bonds (distance) C4'-P energy: -7.376 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: 0.150 tors. eta vs tors. theta energy: 0.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -194.214851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.214851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.214851 (E_RNA) where: Base-Base interactions energy: -135.075 where: short stacking energy: -50.149 Base-Backbone interact. energy: -0.119 local terms energy: -59.020595 where: bonds (distance) C4'-P energy: -10.934 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -6.950 tors. eta vs tors. theta energy: -15.757 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: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -183.718366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.718366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.718366 (E_RNA) where: Base-Base interactions energy: -129.435 where: short stacking energy: -49.665 Base-Backbone interact. energy: 0.015 local terms energy: -54.298358 where: bonds (distance) C4'-P energy: -10.407 bonds (distance) P-C4' energy: -12.081 flat angles C4'-P-C4' energy: -12.743 flat angles P-C4'-P energy: -6.325 tors. eta vs tors. theta energy: -12.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -183.123434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.123434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.123434 (E_RNA) where: Base-Base interactions energy: -125.126 where: short stacking energy: -48.900 Base-Backbone interact. energy: -0.093 local terms energy: -57.904223 where: bonds (distance) C4'-P energy: -14.741 bonds (distance) P-C4' energy: -10.411 flat angles C4'-P-C4' energy: -9.429 flat angles P-C4'-P energy: -7.856 tors. eta vs tors. theta energy: -15.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -174.092428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.092428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.092428 (E_RNA) where: Base-Base interactions energy: -120.209 where: short stacking energy: -53.302 Base-Backbone interact. energy: -0.023 local terms energy: -53.860464 where: bonds (distance) C4'-P energy: -13.844 bonds (distance) P-C4' energy: -12.169 flat angles C4'-P-C4' energy: -9.491 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -13.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -172.994318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.994318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.994318 (E_RNA) where: Base-Base interactions energy: -117.500 where: short stacking energy: -45.414 Base-Backbone interact. energy: -0.002 local terms energy: -55.492316 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -10.922 flat angles C4'-P-C4' energy: -15.317 flat angles P-C4'-P energy: -6.215 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: 6, replica: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -174.569060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.569060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.569060 (E_RNA) where: Base-Base interactions energy: -117.953 where: short stacking energy: -48.644 Base-Backbone interact. energy: -0.042 local terms energy: -56.573878 where: bonds (distance) C4'-P energy: -11.338 bonds (distance) P-C4' energy: -10.866 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -6.899 tors. eta vs tors. theta energy: -14.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -171.714271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.714271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.714271 (E_RNA) where: Base-Base interactions energy: -118.585 where: short stacking energy: -46.213 Base-Backbone interact. energy: -0.920 local terms energy: -52.209200 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -12.656 flat angles C4'-P-C4' energy: -10.356 flat angles P-C4'-P energy: -7.882 tors. eta vs tors. theta energy: -14.206 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: 157 Temperature: 1.250000 Total energy: -149.515580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.515580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.515580 (E_RNA) where: Base-Base interactions energy: -96.559 where: short stacking energy: -32.351 Base-Backbone interact. energy: -0.004 local terms energy: -52.953273 where: bonds (distance) C4'-P energy: -9.007 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -12.994 flat angles P-C4'-P energy: -8.760 tors. eta vs tors. theta energy: -9.105 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: 157 Temperature: 1.300000 Total energy: -67.059124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.059124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.059124 (E_RNA) where: Base-Base interactions energy: -17.772 where: short stacking energy: -14.347 Base-Backbone interact. energy: -0.192 local terms energy: -49.095363 where: bonds (distance) C4'-P energy: -14.695 bonds (distance) P-C4' energy: -14.061 flat angles C4'-P-C4' energy: -8.851 flat angles P-C4'-P energy: -7.126 tors. eta vs tors. theta energy: -4.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -62.749563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.749563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.749563 (E_RNA) where: Base-Base interactions energy: -18.118 where: short stacking energy: -18.118 Base-Backbone interact. energy: -0.149 local terms energy: -44.482045 where: bonds (distance) C4'-P energy: -10.266 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -9.593 flat angles P-C4'-P energy: -9.116 tors. eta vs tors. theta energy: -1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -186.209636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.209636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.209636 (E_RNA) where: Base-Base interactions energy: -132.987 where: short stacking energy: -52.466 Base-Backbone interact. energy: -0.149 local terms energy: -53.074326 where: bonds (distance) C4'-P energy: -13.077 bonds (distance) P-C4' energy: -11.117 flat angles C4'-P-C4' energy: -12.400 flat angles P-C4'-P energy: -1.633 tors. eta vs tors. theta energy: -14.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -184.945447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.945447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.945447 (E_RNA) where: Base-Base interactions energy: -124.361 where: short stacking energy: -49.269 Base-Backbone interact. energy: -0.379 local terms energy: -60.206256 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -14.122 flat angles C4'-P-C4' energy: -13.643 flat angles P-C4'-P energy: -11.078 tors. eta vs tors. theta energy: -13.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -177.373112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.373112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.373112 (E_RNA) where: Base-Base interactions energy: -121.697 where: short stacking energy: -51.172 Base-Backbone interact. energy: -0.364 local terms energy: -55.311346 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -10.951 flat angles P-C4'-P energy: -7.471 tors. eta vs tors. theta energy: -12.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -179.686324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.686324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.686324 (E_RNA) where: Base-Base interactions energy: -121.888 where: short stacking energy: -49.930 Base-Backbone interact. energy: -0.003 local terms energy: -57.795703 where: bonds (distance) C4'-P energy: -11.210 bonds (distance) P-C4' energy: -13.373 flat angles C4'-P-C4' energy: -10.662 flat angles P-C4'-P energy: -8.484 tors. eta vs tors. theta energy: -14.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -175.788814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.788814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.788814 (E_RNA) where: Base-Base interactions energy: -115.234 where: short stacking energy: -46.085 Base-Backbone interact. energy: -0.082 local terms energy: -60.471913 where: bonds (distance) C4'-P energy: -13.483 bonds (distance) P-C4' energy: -12.123 flat angles C4'-P-C4' energy: -10.824 flat angles P-C4'-P energy: -9.074 tors. eta vs tors. theta energy: -14.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -163.384064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.384064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.384064 (E_RNA) where: Base-Base interactions energy: -108.248 where: short stacking energy: -46.460 Base-Backbone interact. energy: -0.102 local terms energy: -55.034147 where: bonds (distance) C4'-P energy: -7.761 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -12.087 flat angles P-C4'-P energy: -8.116 tors. eta vs tors. theta energy: -13.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -135.539385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.539385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.539385 (E_RNA) where: Base-Base interactions energy: -88.719 where: short stacking energy: -32.508 Base-Backbone interact. energy: -0.522 local terms energy: -46.298477 where: bonds (distance) C4'-P energy: -11.144 bonds (distance) P-C4' energy: -6.982 flat angles C4'-P-C4' energy: -10.441 flat angles P-C4'-P energy: -7.477 tors. eta vs tors. theta energy: -10.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -175.924919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.924919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.924919 (E_RNA) where: Base-Base interactions energy: -118.877 where: short stacking energy: -46.853 Base-Backbone interact. energy: -0.006 local terms energy: -57.042671 where: bonds (distance) C4'-P energy: -12.132 bonds (distance) P-C4' energy: -12.964 flat angles C4'-P-C4' energy: -12.572 flat angles P-C4'-P energy: -8.893 tors. eta vs tors. theta energy: -10.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -63.841600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.841600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.841600 (E_RNA) where: Base-Base interactions energy: -18.355 where: short stacking energy: -15.349 Base-Backbone interact. energy: -0.005 local terms energy: -45.482083 where: bonds (distance) C4'-P energy: -13.297 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -13.313 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -1.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -62.355290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.355290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.355290 (E_RNA) where: Base-Base interactions energy: -21.251 where: short stacking energy: -21.251 Base-Backbone interact. energy: 3.049 local terms energy: -44.153073 where: bonds (distance) C4'-P energy: -13.105 bonds (distance) P-C4' energy: -11.898 flat angles C4'-P-C4' energy: -9.009 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -5.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -190.481130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.481130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.481130 (E_RNA) where: Base-Base interactions energy: -131.709 where: short stacking energy: -52.997 Base-Backbone interact. energy: 1.808 local terms energy: -60.580694 where: bonds (distance) C4'-P energy: -10.163 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -15.078 flat angles P-C4'-P energy: -7.951 tors. eta vs tors. theta energy: -13.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -185.667904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.667904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.667904 (E_RNA) where: Base-Base interactions energy: -124.311 where: short stacking energy: -47.683 Base-Backbone interact. energy: -0.107 local terms energy: -61.249397 where: bonds (distance) C4'-P energy: -12.725 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -13.930 flat angles P-C4'-P energy: -7.303 tors. eta vs tors. theta energy: -12.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -186.084107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.084107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.084107 (E_RNA) where: Base-Base interactions energy: -126.735 where: short stacking energy: -46.354 Base-Backbone interact. energy: -0.000 local terms energy: -59.349261 where: bonds (distance) C4'-P energy: -13.202 bonds (distance) P-C4' energy: -12.101 flat angles C4'-P-C4' energy: -12.092 flat angles P-C4'-P energy: -6.732 tors. eta vs tors. theta energy: -15.221 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: 6 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -186.170897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.170897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.170897 (E_RNA) where: Base-Base interactions energy: -127.292 where: short stacking energy: -45.453 Base-Backbone interact. energy: -0.597 local terms energy: -58.281813 where: bonds (distance) C4'-P energy: -12.137 bonds (distance) P-C4' energy: -11.797 flat angles C4'-P-C4' energy: -11.975 flat angles P-C4'-P energy: -6.510 tors. eta vs tors. theta energy: -15.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -180.317668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.317668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.317668 (E_RNA) where: Base-Base interactions energy: -121.427 where: short stacking energy: -49.342 Base-Backbone interact. energy: -0.001 local terms energy: -58.890291 where: bonds (distance) C4'-P energy: -10.419 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -12.680 flat angles P-C4'-P energy: -6.634 tors. eta vs tors. theta energy: -16.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -169.106009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.106009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.106009 (E_RNA) where: Base-Base interactions energy: -108.991 where: short stacking energy: -47.942 Base-Backbone interact. energy: -0.098 local terms energy: -60.016535 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -12.089 flat angles P-C4'-P energy: -6.109 tors. eta vs tors. theta energy: -16.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -165.070747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.070747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.070747 (E_RNA) where: Base-Base interactions energy: -115.128 where: short stacking energy: -44.179 Base-Backbone interact. energy: -0.009 local terms energy: -49.933341 where: bonds (distance) C4'-P energy: -6.336 bonds (distance) P-C4' energy: -10.697 flat angles C4'-P-C4' energy: -13.554 flat angles P-C4'-P energy: -7.215 tors. eta vs tors. theta energy: -12.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -171.220782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.220782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.220782 (E_RNA) where: Base-Base interactions energy: -119.664 where: short stacking energy: -46.711 Base-Backbone interact. energy: -0.072 local terms energy: -51.484691 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -10.394 flat angles P-C4'-P energy: -5.499 tors. eta vs tors. theta energy: -15.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -70.605153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.605153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.605153 (E_RNA) where: Base-Base interactions energy: -29.306 where: short stacking energy: -27.039 Base-Backbone interact. energy: 0.382 local terms energy: -41.681360 where: bonds (distance) C4'-P energy: -5.906 bonds (distance) P-C4' energy: -11.855 flat angles C4'-P-C4' energy: -9.360 flat angles P-C4'-P energy: -9.271 tors. eta vs tors. theta energy: -5.289 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: 7 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -64.048696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.048696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.048696 (E_RNA) where: Base-Base interactions energy: -24.030 where: short stacking energy: -9.902 Base-Backbone interact. energy: -0.269 local terms energy: -39.749297 where: bonds (distance) C4'-P energy: -11.053 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -9.659 flat angles P-C4'-P energy: -6.216 tors. eta vs tors. theta energy: 1.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -189.089892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.089892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.089892 (E_RNA) where: Base-Base interactions energy: -129.755 where: short stacking energy: -56.254 Base-Backbone interact. energy: -0.002 local terms energy: -59.333287 where: bonds (distance) C4'-P energy: -8.622 bonds (distance) P-C4' energy: -12.260 flat angles C4'-P-C4' energy: -15.132 flat angles P-C4'-P energy: -7.690 tors. eta vs tors. theta energy: -15.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -186.396094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.396094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.396094 (E_RNA) where: Base-Base interactions energy: -125.981 where: short stacking energy: -53.013 Base-Backbone interact. energy: -0.235 local terms energy: -60.180253 where: bonds (distance) C4'-P energy: -13.822 bonds (distance) P-C4' energy: -12.939 flat angles C4'-P-C4' energy: -13.105 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -14.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -178.219715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.219715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.219715 (E_RNA) where: Base-Base interactions energy: -119.218 where: short stacking energy: -47.146 Base-Backbone interact. energy: -0.344 local terms energy: -58.657897 where: bonds (distance) C4'-P energy: -9.774 bonds (distance) P-C4' energy: -12.785 flat angles C4'-P-C4' energy: -12.376 flat angles P-C4'-P energy: -9.447 tors. eta vs tors. theta energy: -14.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -179.899888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.899888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.899888 (E_RNA) where: Base-Base interactions energy: -119.898 where: short stacking energy: -54.069 Base-Backbone interact. energy: -0.095 local terms energy: -59.906941 where: bonds (distance) C4'-P energy: -13.202 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -11.980 flat angles P-C4'-P energy: -6.174 tors. eta vs tors. theta energy: -15.671 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: 5 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -171.967345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.967345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.967345 (E_RNA) where: Base-Base interactions energy: -113.276 where: short stacking energy: -46.950 Base-Backbone interact. energy: -0.021 local terms energy: -58.670904 where: bonds (distance) C4'-P energy: -11.516 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -13.738 flat angles P-C4'-P energy: -7.970 tors. eta vs tors. theta energy: -10.341 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: 10 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -166.923163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.923163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.923163 (E_RNA) where: Base-Base interactions energy: -107.417 where: short stacking energy: -41.921 Base-Backbone interact. energy: -0.614 local terms energy: -58.892652 where: bonds (distance) C4'-P energy: -12.816 bonds (distance) P-C4' energy: -12.106 flat angles C4'-P-C4' energy: -12.871 flat angles P-C4'-P energy: -9.280 tors. eta vs tors. theta energy: -11.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -169.258589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.258589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.258589 (E_RNA) where: Base-Base interactions energy: -116.591 where: short stacking energy: -41.931 Base-Backbone interact. energy: -0.093 local terms energy: -52.574085 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -5.843 flat angles P-C4'-P energy: -8.988 tors. eta vs tors. theta energy: -12.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -157.936996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.936996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.936996 (E_RNA) where: Base-Base interactions energy: -103.976 where: short stacking energy: -37.349 Base-Backbone interact. energy: -0.253 local terms energy: -53.707659 where: bonds (distance) C4'-P energy: -11.107 bonds (distance) P-C4' energy: -13.505 flat angles C4'-P-C4' energy: -13.005 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -10.635 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: 7 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -67.154465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.154465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.154465 (E_RNA) where: Base-Base interactions energy: -26.953 where: short stacking energy: -23.789 Base-Backbone interact. energy: -0.494 local terms energy: -39.707117 where: bonds (distance) C4'-P energy: -13.922 bonds (distance) P-C4' energy: -11.284 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: -3.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -66.461686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.461686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.461686 (E_RNA) where: Base-Base interactions energy: -21.448 where: short stacking energy: -17.685 Base-Backbone interact. energy: -0.868 local terms energy: -44.145525 where: bonds (distance) C4'-P energy: -11.739 bonds (distance) P-C4' energy: -11.537 flat angles C4'-P-C4' energy: -9.220 flat angles P-C4'-P energy: -8.896 tors. eta vs tors. theta energy: -2.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -192.045543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.045543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.045543 (E_RNA) where: Base-Base interactions energy: -132.244 where: short stacking energy: -58.926 Base-Backbone interact. energy: -0.044 local terms energy: -59.756876 where: bonds (distance) C4'-P energy: -10.125 bonds (distance) P-C4' energy: -14.196 flat angles C4'-P-C4' energy: -14.175 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -15.444 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: 2, replica: 3 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -188.055109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.055109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.055109 (E_RNA) where: Base-Base interactions energy: -127.078 where: short stacking energy: -53.322 Base-Backbone interact. energy: -0.001 local terms energy: -60.976803 where: bonds (distance) C4'-P energy: -9.864 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -12.932 flat angles P-C4'-P energy: -6.841 tors. eta vs tors. theta energy: -16.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -186.090408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.090408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.090408 (E_RNA) where: Base-Base interactions energy: -124.145 where: short stacking energy: -52.991 Base-Backbone interact. energy: -0.005 local terms energy: -61.940961 where: bonds (distance) C4'-P energy: -13.429 bonds (distance) P-C4' energy: -13.353 flat angles C4'-P-C4' energy: -12.140 flat angles P-C4'-P energy: -10.579 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: 4, replica: 5 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -180.862012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.862012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.862012 (E_RNA) where: Base-Base interactions energy: -120.409 where: short stacking energy: -49.549 Base-Backbone interact. energy: -0.020 local terms energy: -60.432566 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -11.849 flat angles C4'-P-C4' energy: -10.468 flat angles P-C4'-P energy: -9.793 tors. eta vs tors. theta energy: -14.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -177.808174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.808174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.808174 (E_RNA) where: Base-Base interactions energy: -117.751 where: short stacking energy: -47.063 Base-Backbone interact. energy: -0.870 local terms energy: -59.187588 where: bonds (distance) C4'-P energy: -9.343 bonds (distance) P-C4' energy: -13.087 flat angles C4'-P-C4' energy: -13.563 flat angles P-C4'-P energy: -10.053 tors. eta vs tors. theta energy: -13.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -172.278211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.278211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.278211 (E_RNA) where: Base-Base interactions energy: -118.073 where: short stacking energy: -43.266 Base-Backbone interact. energy: 0.986 local terms energy: -55.191326 where: bonds (distance) C4'-P energy: -12.639 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -8.035 tors. eta vs tors. theta energy: -14.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -167.913441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.913441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.913441 (E_RNA) where: Base-Base interactions energy: -118.936 where: short stacking energy: -47.512 Base-Backbone interact. energy: -0.002 local terms energy: -48.975634 where: bonds (distance) C4'-P energy: -7.786 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -12.681 flat angles P-C4'-P energy: -7.685 tors. eta vs tors. theta energy: -10.899 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: 161 Temperature: 1.250000 Total energy: -177.824805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.824805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.824805 (E_RNA) where: Base-Base interactions energy: -122.125 where: short stacking energy: -51.451 Base-Backbone interact. energy: -0.028 local terms energy: -55.671051 where: bonds (distance) C4'-P energy: -9.474 bonds (distance) P-C4' energy: -14.196 flat angles C4'-P-C4' energy: -11.496 flat angles P-C4'-P energy: -7.216 tors. eta vs tors. theta energy: -13.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -112.342674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.342674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.342674 (E_RNA) where: Base-Base interactions energy: -71.534 where: short stacking energy: -28.197 Base-Backbone interact. energy: -0.685 local terms energy: -40.123867 where: bonds (distance) C4'-P energy: -10.233 bonds (distance) P-C4' energy: -10.642 flat angles C4'-P-C4' energy: -7.265 flat angles P-C4'-P energy: -8.264 tors. eta vs tors. theta energy: -3.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -61.677163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.677163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.677163 (E_RNA) where: Base-Base interactions energy: -31.943 where: short stacking energy: -21.252 Base-Backbone interact. energy: -0.231 local terms energy: -29.502817 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -11.183 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -1.327 tors. eta vs tors. theta energy: 3.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -189.067745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.067745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.067745 (E_RNA) where: Base-Base interactions energy: -123.276 where: short stacking energy: -47.783 Base-Backbone interact. energy: -0.123 local terms energy: -65.669009 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -14.097 flat angles C4'-P-C4' energy: -11.706 flat angles P-C4'-P energy: -9.067 tors. eta vs tors. theta energy: -17.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -187.263746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.263746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.263746 (E_RNA) where: Base-Base interactions energy: -122.623 where: short stacking energy: -47.441 Base-Backbone interact. energy: -0.337 local terms energy: -64.303297 where: bonds (distance) C4'-P energy: -12.042 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -14.794 flat angles P-C4'-P energy: -9.378 tors. eta vs tors. theta energy: -14.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -188.420823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.420823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.420823 (E_RNA) where: Base-Base interactions energy: -124.016 where: short stacking energy: -53.427 Base-Backbone interact. energy: -0.003 local terms energy: -64.402483 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -10.349 flat angles C4'-P-C4' energy: -13.762 flat angles P-C4'-P energy: -9.880 tors. eta vs tors. theta energy: -18.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -181.036559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.036559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.036559 (E_RNA) where: Base-Base interactions energy: -121.402 where: short stacking energy: -43.827 Base-Backbone interact. energy: -0.008 local terms energy: -59.627251 where: bonds (distance) C4'-P energy: -12.291 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -11.604 flat angles P-C4'-P energy: -7.597 tors. eta vs tors. theta energy: -14.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -172.907239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.907239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.907239 (E_RNA) where: Base-Base interactions energy: -115.540 where: short stacking energy: -43.477 Base-Backbone interact. energy: -0.144 local terms energy: -57.223240 where: bonds (distance) C4'-P energy: -13.131 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -12.170 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -15.387 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: 162 Temperature: 1.150000 Total energy: -170.206061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.206061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.206061 (E_RNA) where: Base-Base interactions energy: -124.742 where: short stacking energy: -46.660 Base-Backbone interact. energy: -0.626 local terms energy: -44.837591 where: bonds (distance) C4'-P energy: -3.852 bonds (distance) P-C4' energy: -11.485 flat angles C4'-P-C4' energy: -9.433 flat angles P-C4'-P energy: -6.737 tors. eta vs tors. theta energy: -13.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -171.744346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.744346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.744346 (E_RNA) where: Base-Base interactions energy: -114.050 where: short stacking energy: -45.095 Base-Backbone interact. energy: -0.926 local terms energy: -56.768149 where: bonds (distance) C4'-P energy: -13.782 bonds (distance) P-C4' energy: -11.834 flat angles C4'-P-C4' energy: -12.021 flat angles P-C4'-P energy: -7.819 tors. eta vs tors. theta energy: -11.313 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: 2 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -156.925243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.925243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.925243 (E_RNA) where: Base-Base interactions energy: -101.714 where: short stacking energy: -37.729 Base-Backbone interact. energy: -0.122 local terms energy: -55.089811 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -11.056 flat angles P-C4'-P energy: -6.535 tors. eta vs tors. theta energy: -11.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -60.946136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.946136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.946136 (E_RNA) where: Base-Base interactions energy: -33.267 where: short stacking energy: -16.868 Base-Backbone interact. energy: -0.342 local terms energy: -27.337363 where: bonds (distance) C4'-P energy: -7.736 bonds (distance) P-C4' energy: -10.124 flat angles C4'-P-C4' energy: -12.448 flat angles P-C4'-P energy: -1.695 tors. eta vs tors. theta energy: 4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -75.213502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.213502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.213502 (E_RNA) where: Base-Base interactions energy: -29.094 where: short stacking energy: -27.332 Base-Backbone interact. energy: -0.108 local terms energy: -46.011291 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -4.738 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: 3 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -189.579677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.579677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.579677 (E_RNA) where: Base-Base interactions energy: -125.826 where: short stacking energy: -50.750 Base-Backbone interact. energy: -1.018 local terms energy: -62.735702 where: bonds (distance) C4'-P energy: -11.954 bonds (distance) P-C4' energy: -10.029 flat angles C4'-P-C4' energy: -13.632 flat angles P-C4'-P energy: -10.492 tors. eta vs tors. theta energy: -16.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -185.781319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.781319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.781319 (E_RNA) where: Base-Base interactions energy: -123.881 where: short stacking energy: -55.600 Base-Backbone interact. energy: -0.081 local terms energy: -61.819563 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -14.550 flat angles C4'-P-C4' energy: -10.507 flat angles P-C4'-P energy: -7.057 tors. eta vs tors. theta energy: -15.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -184.381313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.381313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.381313 (E_RNA) where: Base-Base interactions energy: -122.945 where: short stacking energy: -51.018 Base-Backbone interact. energy: -0.151 local terms energy: -61.285615 where: bonds (distance) C4'-P energy: -13.072 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -10.626 flat angles P-C4'-P energy: -6.371 tors. eta vs tors. theta energy: -17.082 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: 4 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -179.966572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.966572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.966572 (E_RNA) where: Base-Base interactions energy: -125.748 where: short stacking energy: -48.279 Base-Backbone interact. energy: -0.010 local terms energy: -54.208688 where: bonds (distance) C4'-P energy: -12.501 bonds (distance) P-C4' energy: -9.923 flat angles C4'-P-C4' energy: -12.092 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -15.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -177.753535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.753535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.753535 (E_RNA) where: Base-Base interactions energy: -118.198 where: short stacking energy: -48.133 Base-Backbone interact. energy: -0.037 local terms energy: -59.517788 where: bonds (distance) C4'-P energy: -13.987 bonds (distance) P-C4' energy: -12.349 flat angles C4'-P-C4' energy: -13.023 flat angles P-C4'-P energy: -8.377 tors. eta vs tors. theta energy: -11.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -184.245596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.245596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.245596 (E_RNA) where: Base-Base interactions energy: -131.327 where: short stacking energy: -53.621 Base-Backbone interact. energy: -0.100 local terms energy: -52.818181 where: bonds (distance) C4'-P energy: -7.495 bonds (distance) P-C4' energy: -8.329 flat angles C4'-P-C4' energy: -12.268 flat angles P-C4'-P energy: -8.860 tors. eta vs tors. theta energy: -15.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -166.651843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.651843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.651843 (E_RNA) where: Base-Base interactions energy: -112.888 where: short stacking energy: -49.959 Base-Backbone interact. energy: -0.172 local terms energy: -53.592490 where: bonds (distance) C4'-P energy: -8.796 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -9.516 flat angles P-C4'-P energy: -8.882 tors. eta vs tors. theta energy: -15.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -83.075309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.075309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.075309 (E_RNA) where: Base-Base interactions energy: -53.130 where: short stacking energy: -25.031 Base-Backbone interact. energy: -0.313 local terms energy: -29.632320 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -10.640 flat angles C4'-P-C4' energy: -11.174 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: 1.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -169.160314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.160314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.160314 (E_RNA) where: Base-Base interactions energy: -118.505 where: short stacking energy: -46.192 Base-Backbone interact. energy: -0.061 local terms energy: -50.594682 where: bonds (distance) C4'-P energy: -9.876 bonds (distance) P-C4' energy: -12.132 flat angles C4'-P-C4' energy: -9.250 flat angles P-C4'-P energy: -7.496 tors. eta vs tors. theta energy: -11.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -61.774969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.774969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.774969 (E_RNA) where: Base-Base interactions energy: -16.261 where: short stacking energy: -14.869 Base-Backbone interact. energy: -0.128 local terms energy: -45.386153 where: bonds (distance) C4'-P energy: -12.535 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -9.871 flat angles P-C4'-P energy: -8.244 tors. eta vs tors. theta energy: -1.658 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: 164 Temperature: 0.900000 Total energy: -190.594770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.594770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.594770 (E_RNA) where: Base-Base interactions energy: -125.347 where: short stacking energy: -55.496 Base-Backbone interact. energy: -0.420 local terms energy: -64.827547 where: bonds (distance) C4'-P energy: -13.106 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -14.213 flat angles P-C4'-P energy: -7.671 tors. eta vs tors. theta energy: -15.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -185.956570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.956570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.956570 (E_RNA) where: Base-Base interactions energy: -125.516 where: short stacking energy: -45.776 Base-Backbone interact. energy: 1.020 local terms energy: -61.461364 where: bonds (distance) C4'-P energy: -10.366 bonds (distance) P-C4' energy: -12.712 flat angles C4'-P-C4' energy: -11.548 flat angles P-C4'-P energy: -12.157 tors. eta vs tors. theta energy: -14.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -187.197533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.197533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.197533 (E_RNA) where: Base-Base interactions energy: -123.375 where: short stacking energy: -51.855 Base-Backbone interact. energy: -0.000 local terms energy: -63.822182 where: bonds (distance) C4'-P energy: -12.981 bonds (distance) P-C4' energy: -11.625 flat angles C4'-P-C4' energy: -13.348 flat angles P-C4'-P energy: -9.758 tors. eta vs tors. theta energy: -16.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -179.863532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.863532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.863532 (E_RNA) where: Base-Base interactions energy: -127.695 where: short stacking energy: -50.806 Base-Backbone interact. energy: -0.005 local terms energy: -52.163755 where: bonds (distance) C4'-P energy: -8.661 bonds (distance) P-C4' energy: -8.974 flat angles C4'-P-C4' energy: -13.729 flat angles P-C4'-P energy: -6.619 tors. eta vs tors. theta energy: -14.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -177.135359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.135359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.135359 (E_RNA) where: Base-Base interactions energy: -121.176 where: short stacking energy: -49.847 Base-Backbone interact. energy: -0.003 local terms energy: -55.955766 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -9.872 flat angles C4'-P-C4' energy: -11.843 flat angles P-C4'-P energy: -7.147 tors. eta vs tors. theta energy: -15.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -173.797026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.797026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.797026 (E_RNA) where: Base-Base interactions energy: -121.720 where: short stacking energy: -51.805 Base-Backbone interact. energy: -0.007 local terms energy: -52.070159 where: bonds (distance) C4'-P energy: -10.469 bonds (distance) P-C4' energy: -11.294 flat angles C4'-P-C4' energy: -12.371 flat angles P-C4'-P energy: -7.186 tors. eta vs tors. theta energy: -10.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -151.100062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.100062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.100062 (E_RNA) where: Base-Base interactions energy: -108.577 where: short stacking energy: -46.310 Base-Backbone interact. energy: -0.195 local terms energy: -42.328429 where: bonds (distance) C4'-P energy: -8.017 bonds (distance) P-C4' energy: -10.320 flat angles C4'-P-C4' energy: -11.484 flat angles P-C4'-P energy: -1.028 tors. eta vs tors. theta energy: -11.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -73.709341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.709341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.709341 (E_RNA) where: Base-Base interactions energy: -24.327 where: short stacking energy: -24.327 Base-Backbone interact. energy: -0.008 local terms energy: -49.374422 where: bonds (distance) C4'-P energy: -9.500 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -12.525 flat angles P-C4'-P energy: -5.354 tors. eta vs tors. theta energy: -9.140 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: 2 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -165.298064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.298064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.298064 (E_RNA) where: Base-Base interactions energy: -113.768 where: short stacking energy: -44.369 Base-Backbone interact. energy: -0.038 local terms energy: -51.492388 where: bonds (distance) C4'-P energy: -10.555 bonds (distance) P-C4' energy: -10.132 flat angles C4'-P-C4' energy: -10.766 flat angles P-C4'-P energy: -7.216 tors. eta vs tors. theta energy: -12.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -61.251892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.251892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.251892 (E_RNA) where: Base-Base interactions energy: -20.917 where: short stacking energy: -20.917 Base-Backbone interact. energy: -0.144 local terms energy: -40.190940 where: bonds (distance) C4'-P energy: -10.886 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -8.935 flat angles P-C4'-P energy: -1.293 tors. eta vs tors. theta energy: -6.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -185.578141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.578141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.578141 (E_RNA) where: Base-Base interactions energy: -124.265 where: short stacking energy: -49.539 Base-Backbone interact. energy: -0.012 local terms energy: -61.300977 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -12.291 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -18.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -187.099694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.099694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.099694 (E_RNA) where: Base-Base interactions energy: -128.182 where: short stacking energy: -40.979 Base-Backbone interact. energy: -0.074 local terms energy: -58.844202 where: bonds (distance) C4'-P energy: -12.022 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -14.215 flat angles P-C4'-P energy: -5.882 tors. eta vs tors. theta energy: -13.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -184.832659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.832659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.832659 (E_RNA) where: Base-Base interactions energy: -123.367 where: short stacking energy: -46.383 Base-Backbone interact. energy: -0.633 local terms energy: -60.832887 where: bonds (distance) C4'-P energy: -8.812 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -12.846 flat angles P-C4'-P energy: -11.425 tors. eta vs tors. theta energy: -14.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -177.120037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.120037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.120037 (E_RNA) where: Base-Base interactions energy: -121.678 where: short stacking energy: -50.419 Base-Backbone interact. energy: 1.221 local terms energy: -56.662707 where: bonds (distance) C4'-P energy: -13.996 bonds (distance) P-C4' energy: -11.294 flat angles C4'-P-C4' energy: -8.947 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -14.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -180.098035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.098035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.098035 (E_RNA) where: Base-Base interactions energy: -124.437 where: short stacking energy: -42.145 Base-Backbone interact. energy: -0.098 local terms energy: -55.563663 where: bonds (distance) C4'-P energy: -10.420 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -13.280 flat angles P-C4'-P energy: -5.722 tors. eta vs tors. theta energy: -12.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -163.504804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.504804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.504804 (E_RNA) where: Base-Base interactions energy: -110.487 where: short stacking energy: -40.918 Base-Backbone interact. energy: -0.059 local terms energy: -52.958838 where: bonds (distance) C4'-P energy: -12.067 bonds (distance) P-C4' energy: -12.310 flat angles C4'-P-C4' energy: -10.285 flat angles P-C4'-P energy: -8.837 tors. eta vs tors. theta energy: -9.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -170.011205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.011205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.011205 (E_RNA) where: Base-Base interactions energy: -119.159 where: short stacking energy: -47.647 Base-Backbone interact. energy: -0.819 local terms energy: -50.032754 where: bonds (distance) C4'-P energy: -10.113 bonds (distance) P-C4' energy: -14.632 flat angles C4'-P-C4' energy: -11.672 flat angles P-C4'-P energy: 0.450 tors. eta vs tors. theta energy: -14.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -166.595457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.595457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.595457 (E_RNA) where: Base-Base interactions energy: -115.593 where: short stacking energy: -43.010 Base-Backbone interact. energy: -0.134 local terms energy: -50.867932 where: bonds (distance) C4'-P energy: -8.655 bonds (distance) P-C4' energy: -9.522 flat angles C4'-P-C4' energy: -13.100 flat angles P-C4'-P energy: -8.462 tors. eta vs tors. theta energy: -11.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -77.211128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.211128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.211128 (E_RNA) where: Base-Base interactions energy: -36.737 where: short stacking energy: -30.021 Base-Backbone interact. energy: -0.467 local terms energy: -40.006434 where: bonds (distance) C4'-P energy: -9.517 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -60.942190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.942190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.942190 (E_RNA) where: Base-Base interactions energy: -25.762 where: short stacking energy: -24.086 Base-Backbone interact. energy: -0.144 local terms energy: -35.036371 where: bonds (distance) C4'-P energy: -6.180 bonds (distance) P-C4' energy: -13.461 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -7.988 tors. eta vs tors. theta energy: -0.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -189.954420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.954420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.954420 (E_RNA) where: Base-Base interactions energy: -131.641 where: short stacking energy: -58.822 Base-Backbone interact. energy: -0.630 local terms energy: -57.682798 where: bonds (distance) C4'-P energy: -13.433 bonds (distance) P-C4' energy: -10.343 flat angles C4'-P-C4' energy: -11.972 flat angles P-C4'-P energy: -6.612 tors. eta vs tors. theta energy: -15.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -189.759344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.759344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.759344 (E_RNA) where: Base-Base interactions energy: -125.830 where: short stacking energy: -51.633 Base-Backbone interact. energy: -0.444 local terms energy: -63.485246 where: bonds (distance) C4'-P energy: -12.470 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -13.471 flat angles P-C4'-P energy: -6.751 tors. eta vs tors. theta energy: -17.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -176.040498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.040498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.040498 (E_RNA) where: Base-Base interactions energy: -118.921 where: short stacking energy: -50.112 Base-Backbone interact. energy: -0.552 local terms energy: -56.567524 where: bonds (distance) C4'-P energy: -11.202 bonds (distance) P-C4' energy: -8.495 flat angles C4'-P-C4' energy: -10.248 flat angles P-C4'-P energy: -10.412 tors. eta vs tors. theta energy: -16.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -173.035366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.035366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.035366 (E_RNA) where: Base-Base interactions energy: -115.531 where: short stacking energy: -44.373 Base-Backbone interact. energy: -0.346 local terms energy: -57.158210 where: bonds (distance) C4'-P energy: -10.750 bonds (distance) P-C4' energy: -12.345 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -12.169 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: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -173.197570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.197570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.197570 (E_RNA) where: Base-Base interactions energy: -116.306 where: short stacking energy: -53.318 Base-Backbone interact. energy: -0.186 local terms energy: -56.705717 where: bonds (distance) C4'-P energy: -10.122 bonds (distance) P-C4' energy: -10.749 flat angles C4'-P-C4' energy: -14.260 flat angles P-C4'-P energy: -9.386 tors. eta vs tors. theta energy: -12.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -173.274900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.274900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.274900 (E_RNA) where: Base-Base interactions energy: -119.823 where: short stacking energy: -44.640 Base-Backbone interact. energy: -0.058 local terms energy: -53.393761 where: bonds (distance) C4'-P energy: -9.812 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -12.437 flat angles P-C4'-P energy: -6.781 tors. eta vs tors. theta energy: -11.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -163.960853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.960853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.960853 (E_RNA) where: Base-Base interactions energy: -111.252 where: short stacking energy: -40.144 Base-Backbone interact. energy: -0.111 local terms energy: -52.598032 where: bonds (distance) C4'-P energy: -13.933 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -8.551 flat angles P-C4'-P energy: -9.622 tors. eta vs tors. theta energy: -12.287 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: 9 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -169.056429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.056429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.056429 (E_RNA) where: Base-Base interactions energy: -116.568 where: short stacking energy: -42.195 Base-Backbone interact. energy: -0.533 local terms energy: -51.955496 where: bonds (distance) C4'-P energy: -9.731 bonds (distance) P-C4' energy: -11.766 flat angles C4'-P-C4' energy: -11.848 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -12.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -77.211644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.211644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.211644 (E_RNA) where: Base-Base interactions energy: -37.735 where: short stacking energy: -17.642 Base-Backbone interact. energy: -0.712 local terms energy: -38.764258 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -7.667 flat angles C4'-P-C4' energy: -7.811 flat angles P-C4'-P energy: -2.240 tors. eta vs tors. theta energy: -6.964 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: 10, replica: 7 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -61.027797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.027797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.027797 (E_RNA) where: Base-Base interactions energy: -22.120 where: short stacking energy: -22.320 Base-Backbone interact. energy: -0.779 local terms energy: -38.128800 where: bonds (distance) C4'-P energy: -11.215 bonds (distance) P-C4' energy: -10.224 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -5.688 tors. eta vs tors. theta energy: -4.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -187.870526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.870526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.870526 (E_RNA) where: Base-Base interactions energy: -126.114 where: short stacking energy: -53.478 Base-Backbone interact. energy: -0.246 local terms energy: -61.510485 where: bonds (distance) C4'-P energy: -11.856 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -11.914 flat angles P-C4'-P energy: -10.236 tors. eta vs tors. theta energy: -13.280 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: 5 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -184.968981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.968981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.968981 (E_RNA) where: Base-Base interactions energy: -123.498 where: short stacking energy: -52.980 Base-Backbone interact. energy: -0.723 local terms energy: -60.748395 where: bonds (distance) C4'-P energy: -13.106 bonds (distance) P-C4' energy: -11.107 flat angles C4'-P-C4' energy: -11.479 flat angles P-C4'-P energy: -8.291 tors. eta vs tors. theta energy: -16.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -191.072852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.072852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.072852 (E_RNA) where: Base-Base interactions energy: -131.029 where: short stacking energy: -55.976 Base-Backbone interact. energy: -0.127 local terms energy: -59.916533 where: bonds (distance) C4'-P energy: -13.914 bonds (distance) P-C4' energy: -10.739 flat angles C4'-P-C4' energy: -10.782 flat angles P-C4'-P energy: -8.597 tors. eta vs tors. theta energy: -15.885 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: 167 Temperature: 1.050000 Total energy: -184.613491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.613491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.613491 (E_RNA) where: Base-Base interactions energy: -122.399 where: short stacking energy: -44.139 Base-Backbone interact. energy: -0.168 local terms energy: -62.046764 where: bonds (distance) C4'-P energy: -11.909 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -13.285 flat angles P-C4'-P energy: -7.832 tors. eta vs tors. theta energy: -15.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -175.251561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.251561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.251561 (E_RNA) where: Base-Base interactions energy: -119.047 where: short stacking energy: -42.916 Base-Backbone interact. energy: -0.246 local terms energy: -55.958887 where: bonds (distance) C4'-P energy: -10.461 bonds (distance) P-C4' energy: -13.842 flat angles C4'-P-C4' energy: -9.277 flat angles P-C4'-P energy: -8.701 tors. eta vs tors. theta energy: -13.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -174.731392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.731392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.731392 (E_RNA) where: Base-Base interactions energy: -112.432 where: short stacking energy: -46.282 Base-Backbone interact. energy: -0.098 local terms energy: -62.201509 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -13.597 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -7.256 tors. eta vs tors. theta energy: -16.049 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: 2 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -179.870281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.870281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.870281 (E_RNA) where: Base-Base interactions energy: -120.757 where: short stacking energy: -44.509 Base-Backbone interact. energy: -0.077 local terms energy: -59.036151 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -11.066 flat angles P-C4'-P energy: -6.580 tors. eta vs tors. theta energy: -14.154 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: 9 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -157.016678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.016678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.016678 (E_RNA) where: Base-Base interactions energy: -106.019 where: short stacking energy: -45.893 Base-Backbone interact. energy: -0.062 local terms energy: -50.936348 where: bonds (distance) C4'-P energy: -10.116 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -8.717 flat angles P-C4'-P energy: -9.351 tors. eta vs tors. theta energy: -8.553 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: 9, replica: 1 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -69.164642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.164642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.164642 (E_RNA) where: Base-Base interactions energy: -26.663 where: short stacking energy: -26.663 Base-Backbone interact. energy: -0.303 local terms energy: -42.198832 where: bonds (distance) C4'-P energy: -10.825 bonds (distance) P-C4' energy: -14.107 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: -8.759 tors. eta vs tors. theta energy: -2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -60.170981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.170981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.170981 (E_RNA) where: Base-Base interactions energy: -16.524 where: short stacking energy: -16.013 Base-Backbone interact. energy: -0.435 local terms energy: -43.211983 where: bonds (distance) C4'-P energy: -11.413 bonds (distance) P-C4' energy: -13.125 flat angles C4'-P-C4' energy: -10.261 flat angles P-C4'-P energy: -8.518 tors. eta vs tors. theta energy: 0.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -191.218714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.218714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.218714 (E_RNA) where: Base-Base interactions energy: -129.797 where: short stacking energy: -54.684 Base-Backbone interact. energy: -0.119 local terms energy: -61.302884 where: bonds (distance) C4'-P energy: -10.901 bonds (distance) P-C4' energy: -13.315 flat angles C4'-P-C4' energy: -11.755 flat angles P-C4'-P energy: -8.028 tors. eta vs tors. theta energy: -17.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -183.415182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.415182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.415182 (E_RNA) where: Base-Base interactions energy: -120.065 where: short stacking energy: -49.013 Base-Backbone interact. energy: -0.001 local terms energy: -63.349635 where: bonds (distance) C4'-P energy: -13.421 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -10.463 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: -16.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -185.097896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.097896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.097896 (E_RNA) where: Base-Base interactions energy: -125.784 where: short stacking energy: -55.707 Base-Backbone interact. energy: -0.049 local terms energy: -59.265127 where: bonds (distance) C4'-P energy: -10.369 bonds (distance) P-C4' energy: -11.715 flat angles C4'-P-C4' energy: -14.041 flat angles P-C4'-P energy: -7.748 tors. eta vs tors. theta energy: -15.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -183.084805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.084805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.084805 (E_RNA) where: Base-Base interactions energy: -128.610 where: short stacking energy: -51.022 Base-Backbone interact. energy: -0.413 local terms energy: -54.061692 where: bonds (distance) C4'-P energy: -8.589 bonds (distance) P-C4' energy: -11.123 flat angles C4'-P-C4' energy: -10.997 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: -16.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -181.710856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.710856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.710856 (E_RNA) where: Base-Base interactions energy: -126.326 where: short stacking energy: -50.289 Base-Backbone interact. energy: -0.073 local terms energy: -55.312138 where: bonds (distance) C4'-P energy: -11.507 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -12.767 flat angles P-C4'-P energy: -6.679 tors. eta vs tors. theta energy: -15.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -169.984581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.984581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.984581 (E_RNA) where: Base-Base interactions energy: -122.802 where: short stacking energy: -49.969 Base-Backbone interact. energy: -0.328 local terms energy: -46.853710 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -9.513 flat angles C4'-P-C4' energy: -12.424 flat angles P-C4'-P energy: -7.770 tors. eta vs tors. theta energy: -8.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -177.953360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.953360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.953360 (E_RNA) where: Base-Base interactions energy: -121.277 where: short stacking energy: -45.549 Base-Backbone interact. energy: -1.204 local terms energy: -55.472531 where: bonds (distance) C4'-P energy: -11.036 bonds (distance) P-C4' energy: -11.957 flat angles C4'-P-C4' energy: -12.193 flat angles P-C4'-P energy: -7.421 tors. eta vs tors. theta energy: -12.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -170.960970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.960970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.960970 (E_RNA) where: Base-Base interactions energy: -109.444 where: short stacking energy: -40.511 Base-Backbone interact. energy: -0.327 local terms energy: -61.190048 where: bonds (distance) C4'-P energy: -12.708 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -13.542 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -15.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -67.315849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.315849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.315849 (E_RNA) where: Base-Base interactions energy: -23.089 where: short stacking energy: -21.760 Base-Backbone interact. energy: -0.098 local terms energy: -44.128972 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -12.592 flat angles C4'-P-C4' energy: -10.074 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: -4.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -70.320739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.320739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.320739 (E_RNA) where: Base-Base interactions energy: -28.366 where: short stacking energy: -25.748 Base-Backbone interact. energy: -0.474 local terms energy: -41.480487 where: bonds (distance) C4'-P energy: -11.500 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -11.881 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -1.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -188.981214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.981214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.981214 (E_RNA) where: Base-Base interactions energy: -136.669 where: short stacking energy: -57.301 Base-Backbone interact. energy: -0.145 local terms energy: -52.166343 where: bonds (distance) C4'-P energy: -9.459 bonds (distance) P-C4' energy: -12.742 flat angles C4'-P-C4' energy: -10.988 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -15.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -191.712861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.712861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.712861 (E_RNA) where: Base-Base interactions energy: -134.618 where: short stacking energy: -51.840 Base-Backbone interact. energy: -0.087 local terms energy: -57.008002 where: bonds (distance) C4'-P energy: -9.292 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -6.862 tors. eta vs tors. theta energy: -15.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -183.324448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.324448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.324448 (E_RNA) where: Base-Base interactions energy: -130.732 where: short stacking energy: -54.852 Base-Backbone interact. energy: -0.558 local terms energy: -52.034591 where: bonds (distance) C4'-P energy: -8.373 bonds (distance) P-C4' energy: -10.944 flat angles C4'-P-C4' energy: -11.158 flat angles P-C4'-P energy: -8.711 tors. eta vs tors. theta energy: -12.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -174.040858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.040858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.040858 (E_RNA) where: Base-Base interactions energy: -121.000 where: short stacking energy: -49.636 Base-Backbone interact. energy: -0.046 local terms energy: -52.994878 where: bonds (distance) C4'-P energy: -10.300 bonds (distance) P-C4' energy: -10.526 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -7.069 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: 5, replica: 4 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -181.036241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.036241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.036241 (E_RNA) where: Base-Base interactions energy: -122.598 where: short stacking energy: -49.128 Base-Backbone interact. energy: -0.003 local terms energy: -58.435490 where: bonds (distance) C4'-P energy: -12.601 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -11.333 flat angles P-C4'-P energy: -7.850 tors. eta vs tors. theta energy: -14.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -170.597546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.597546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.597546 (E_RNA) where: Base-Base interactions energy: -119.515 where: short stacking energy: -48.735 Base-Backbone interact. energy: -0.264 local terms energy: -50.819307 where: bonds (distance) C4'-P energy: -8.548 bonds (distance) P-C4' energy: -11.567 flat angles C4'-P-C4' energy: -12.586 flat angles P-C4'-P energy: -5.816 tors. eta vs tors. theta energy: -12.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -164.175375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.175375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.175375 (E_RNA) where: Base-Base interactions energy: -115.866 where: short stacking energy: -54.249 Base-Backbone interact. energy: -0.091 local terms energy: -48.218583 where: bonds (distance) C4'-P energy: -10.292 bonds (distance) P-C4' energy: -10.918 flat angles C4'-P-C4' energy: -10.048 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -12.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -167.108453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.108453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.108453 (E_RNA) where: Base-Base interactions energy: -110.517 where: short stacking energy: -48.532 Base-Backbone interact. energy: -0.001 local terms energy: -56.590400 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -8.904 flat angles C4'-P-C4' energy: -10.953 flat angles P-C4'-P energy: -10.503 tors. eta vs tors. theta energy: -12.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -67.016438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.016438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.016438 (E_RNA) where: Base-Base interactions energy: -20.309 where: short stacking energy: -20.309 Base-Backbone interact. energy: -0.108 local terms energy: -46.600414 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -10.227 flat angles P-C4'-P energy: -9.123 tors. eta vs tors. theta energy: -1.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -68.775929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.775929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.775929 (E_RNA) where: Base-Base interactions energy: -31.913 where: short stacking energy: -14.265 Base-Backbone interact. energy: -0.061 local terms energy: -36.801973 where: bonds (distance) C4'-P energy: -10.560 bonds (distance) P-C4' energy: -13.812 flat angles C4'-P-C4' energy: -11.200 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: 2.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -187.509760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.509760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.509760 (E_RNA) where: Base-Base interactions energy: -126.051 where: short stacking energy: -53.039 Base-Backbone interact. energy: -0.575 local terms energy: -60.883268 where: bonds (distance) C4'-P energy: -13.699 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -13.873 flat angles P-C4'-P energy: -9.184 tors. eta vs tors. theta energy: -13.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -184.244916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.244916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.244916 (E_RNA) where: Base-Base interactions energy: -124.005 where: short stacking energy: -52.453 Base-Backbone interact. energy: -0.156 local terms energy: -60.083933 where: bonds (distance) C4'-P energy: -12.935 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -12.433 flat angles P-C4'-P energy: -4.129 tors. eta vs tors. theta energy: -17.169 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: 3, replica: 6 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -185.882444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.882444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.882444 (E_RNA) where: Base-Base interactions energy: -125.939 where: short stacking energy: -46.346 Base-Backbone interact. energy: -1.816 local terms energy: -58.128041 where: bonds (distance) C4'-P energy: -10.825 bonds (distance) P-C4' energy: -11.616 flat angles C4'-P-C4' energy: -10.739 flat angles P-C4'-P energy: -9.578 tors. eta vs tors. theta energy: -15.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -182.886518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.886518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.886518 (E_RNA) where: Base-Base interactions energy: -119.342 where: short stacking energy: -50.972 Base-Backbone interact. energy: -0.147 local terms energy: -63.397983 where: bonds (distance) C4'-P energy: -13.375 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -12.846 flat angles P-C4'-P energy: -9.457 tors. eta vs tors. theta energy: -13.722 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: 2 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -172.478703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.478703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.478703 (E_RNA) where: Base-Base interactions energy: -120.741 where: short stacking energy: -44.427 Base-Backbone interact. energy: -0.303 local terms energy: -51.434340 where: bonds (distance) C4'-P energy: -8.453 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -10.630 flat angles P-C4'-P energy: -7.705 tors. eta vs tors. theta energy: -11.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -176.167192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.167192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.167192 (E_RNA) where: Base-Base interactions energy: -126.377 where: short stacking energy: -47.363 Base-Backbone interact. energy: -0.239 local terms energy: -49.551180 where: bonds (distance) C4'-P energy: -9.686 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -11.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -186.461421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.461421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.461421 (E_RNA) where: Base-Base interactions energy: -119.876 where: short stacking energy: -50.874 Base-Backbone interact. energy: -1.181 local terms energy: -65.404013 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -13.803 flat angles P-C4'-P energy: -8.366 tors. eta vs tors. theta energy: -15.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -168.564003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.564003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.564003 (E_RNA) where: Base-Base interactions energy: -115.765 where: short stacking energy: -42.176 Base-Backbone interact. energy: -0.065 local terms energy: -52.734254 where: bonds (distance) C4'-P energy: -11.888 bonds (distance) P-C4' energy: -9.685 flat angles C4'-P-C4' energy: -15.106 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -10.534 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: 170 Temperature: 1.300000 Total energy: -67.213579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.213579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.213579 (E_RNA) where: Base-Base interactions energy: -25.516 where: short stacking energy: -22.325 Base-Backbone interact. energy: 0.168 local terms energy: -41.865420 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -9.792 flat angles P-C4'-P energy: -9.189 tors. eta vs tors. theta energy: -2.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -62.443173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.443173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.443173 (E_RNA) where: Base-Base interactions energy: -24.817 where: short stacking energy: -24.817 Base-Backbone interact. energy: -0.046 local terms energy: -37.580601 where: bonds (distance) C4'-P energy: -10.236 bonds (distance) P-C4' energy: -6.613 flat angles C4'-P-C4' energy: -8.432 flat angles P-C4'-P energy: -9.238 tors. eta vs tors. theta energy: -3.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -188.195386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.195386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.195386 (E_RNA) where: Base-Base interactions energy: -123.307 where: short stacking energy: -51.233 Base-Backbone interact. energy: -0.212 local terms energy: -64.676386 where: bonds (distance) C4'-P energy: -10.522 bonds (distance) P-C4' energy: -14.624 flat angles C4'-P-C4' energy: -13.261 flat angles P-C4'-P energy: -10.824 tors. eta vs tors. theta energy: -15.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -183.235887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.235887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.235887 (E_RNA) where: Base-Base interactions energy: -123.547 where: short stacking energy: -52.969 Base-Backbone interact. energy: -0.000 local terms energy: -59.688358 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -12.143 flat angles P-C4'-P energy: -9.446 tors. eta vs tors. theta energy: -14.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -186.320240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.320240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.320240 (E_RNA) where: Base-Base interactions energy: -124.607 where: short stacking energy: -46.952 Base-Backbone interact. energy: -1.100 local terms energy: -60.613425 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -12.695 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: -12.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -178.651991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.651991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.651991 (E_RNA) where: Base-Base interactions energy: -117.130 where: short stacking energy: -45.302 Base-Backbone interact. energy: 0.761 local terms energy: -62.282591 where: bonds (distance) C4'-P energy: -11.550 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -13.561 flat angles P-C4'-P energy: -8.830 tors. eta vs tors. theta energy: -14.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -178.624376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.624376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.624376 (E_RNA) where: Base-Base interactions energy: -123.760 where: short stacking energy: -50.332 Base-Backbone interact. energy: -0.177 local terms energy: -54.687923 where: bonds (distance) C4'-P energy: -12.104 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -11.425 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -12.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -178.019969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.019969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.019969 (E_RNA) where: Base-Base interactions energy: -114.490 where: short stacking energy: -43.409 Base-Backbone interact. energy: -0.006 local terms energy: -63.523442 where: bonds (distance) C4'-P energy: -11.818 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -14.953 flat angles P-C4'-P energy: -9.045 tors. eta vs tors. theta energy: -14.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -171.048513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.048513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.048513 (E_RNA) where: Base-Base interactions energy: -112.140 where: short stacking energy: -48.462 Base-Backbone interact. energy: -0.114 local terms energy: -58.794172 where: bonds (distance) C4'-P energy: -12.535 bonds (distance) P-C4' energy: -8.489 flat angles C4'-P-C4' energy: -12.608 flat angles P-C4'-P energy: -8.301 tors. eta vs tors. theta energy: -16.862 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: 10 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -165.928992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.928992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.928992 (E_RNA) where: Base-Base interactions energy: -111.235 where: short stacking energy: -42.568 Base-Backbone interact. energy: -0.025 local terms energy: -54.668187 where: bonds (distance) C4'-P energy: -12.530 bonds (distance) P-C4' energy: -11.265 flat angles C4'-P-C4' energy: -10.871 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -14.458 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: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -67.810972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.810972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.810972 (E_RNA) where: Base-Base interactions energy: -21.136 where: short stacking energy: -14.070 Base-Backbone interact. energy: -0.004 local terms energy: -46.670424 where: bonds (distance) C4'-P energy: -13.014 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -9.513 tors. eta vs tors. theta energy: -3.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -64.116669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.116669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.116669 (E_RNA) where: Base-Base interactions energy: -19.787 where: short stacking energy: -19.787 Base-Backbone interact. energy: -0.015 local terms energy: -44.315161 where: bonds (distance) C4'-P energy: -11.582 bonds (distance) P-C4' energy: -11.028 flat angles C4'-P-C4' energy: -11.013 flat angles P-C4'-P energy: -8.243 tors. eta vs tors. theta energy: -2.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -190.279714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.279714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.279714 (E_RNA) where: Base-Base interactions energy: -121.775 where: short stacking energy: -46.962 Base-Backbone interact. energy: -0.708 local terms energy: -67.796768 where: bonds (distance) C4'-P energy: -10.547 bonds (distance) P-C4' energy: -14.755 flat angles C4'-P-C4' energy: -13.765 flat angles P-C4'-P energy: -12.103 tors. eta vs tors. theta energy: -16.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -191.684851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.684851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.684851 (E_RNA) where: Base-Base interactions energy: -130.157 where: short stacking energy: -56.576 Base-Backbone interact. energy: -0.001 local terms energy: -61.526813 where: bonds (distance) C4'-P energy: -8.312 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -13.849 flat angles P-C4'-P energy: -10.854 tors. eta vs tors. theta energy: -15.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -192.295850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.295850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.295850 (E_RNA) where: Base-Base interactions energy: -131.054 where: short stacking energy: -49.247 Base-Backbone interact. energy: -0.101 local terms energy: -61.141537 where: bonds (distance) C4'-P energy: -12.228 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -9.339 flat angles P-C4'-P energy: -9.956 tors. eta vs tors. theta energy: -16.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -177.683883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.683883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.683883 (E_RNA) where: Base-Base interactions energy: -119.412 where: short stacking energy: -43.979 Base-Backbone interact. energy: -0.676 local terms energy: -57.596474 where: bonds (distance) C4'-P energy: -11.147 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -13.261 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -13.407 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: 4 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -178.385244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.385244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.385244 (E_RNA) where: Base-Base interactions energy: -122.849 where: short stacking energy: -45.909 Base-Backbone interact. energy: -0.208 local terms energy: -55.328239 where: bonds (distance) C4'-P energy: -11.128 bonds (distance) P-C4' energy: -10.760 flat angles C4'-P-C4' energy: -11.280 flat angles P-C4'-P energy: -7.416 tors. eta vs tors. theta energy: -14.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -174.915003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.915003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.915003 (E_RNA) where: Base-Base interactions energy: -123.743 where: short stacking energy: -55.187 Base-Backbone interact. energy: -0.003 local terms energy: -51.169167 where: bonds (distance) C4'-P energy: -11.391 bonds (distance) P-C4' energy: -12.828 flat angles C4'-P-C4' energy: -8.168 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -14.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -172.499235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.499235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.499235 (E_RNA) where: Base-Base interactions energy: -121.705 where: short stacking energy: -50.792 Base-Backbone interact. energy: -0.576 local terms energy: -50.218834 where: bonds (distance) C4'-P energy: -6.589 bonds (distance) P-C4' energy: -11.540 flat angles C4'-P-C4' energy: -9.814 flat angles P-C4'-P energy: -7.005 tors. eta vs tors. theta energy: -15.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -173.894039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.894039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.894039 (E_RNA) where: Base-Base interactions energy: -115.737 where: short stacking energy: -45.973 Base-Backbone interact. energy: 3.854 local terms energy: -62.010955 where: bonds (distance) C4'-P energy: -10.932 bonds (distance) P-C4' energy: -13.332 flat angles C4'-P-C4' energy: -14.181 flat angles P-C4'-P energy: -9.331 tors. eta vs tors. theta energy: -14.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -73.929547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.929547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.929547 (E_RNA) where: Base-Base interactions energy: -33.857 where: short stacking energy: -23.157 Base-Backbone interact. energy: -0.105 local terms energy: -39.966977 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -12.258 flat angles C4'-P-C4' energy: -11.854 flat angles P-C4'-P energy: -1.937 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -67.771445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.771445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.771445 (E_RNA) where: Base-Base interactions energy: -25.380 where: short stacking energy: -23.971 Base-Backbone interact. energy: -1.619 local terms energy: -40.772535 where: bonds (distance) C4'-P energy: -11.186 bonds (distance) P-C4' energy: -11.327 flat angles C4'-P-C4' energy: -9.496 flat angles P-C4'-P energy: -6.919 tors. eta vs tors. theta energy: -1.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -191.445066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.445066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.445066 (E_RNA) where: Base-Base interactions energy: -130.176 where: short stacking energy: -53.398 Base-Backbone interact. energy: -0.706 local terms energy: -60.563560 where: bonds (distance) C4'-P energy: -12.684 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -10.112 flat angles P-C4'-P energy: -8.201 tors. eta vs tors. theta energy: -15.795 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: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -186.232813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.232813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.232813 (E_RNA) where: Base-Base interactions energy: -127.227 where: short stacking energy: -46.990 Base-Backbone interact. energy: -0.444 local terms energy: -58.561753 where: bonds (distance) C4'-P energy: -12.410 bonds (distance) P-C4' energy: -12.182 flat angles C4'-P-C4' energy: -11.967 flat angles P-C4'-P energy: -7.533 tors. eta vs tors. theta energy: -14.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -184.234133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.234133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.234133 (E_RNA) where: Base-Base interactions energy: -123.870 where: short stacking energy: -47.639 Base-Backbone interact. energy: -0.000 local terms energy: -60.363693 where: bonds (distance) C4'-P energy: -12.316 bonds (distance) P-C4' energy: -13.638 flat angles C4'-P-C4' energy: -13.215 flat angles P-C4'-P energy: -8.272 tors. eta vs tors. theta energy: -12.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -180.102118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.102118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.102118 (E_RNA) where: Base-Base interactions energy: -122.380 where: short stacking energy: -41.401 Base-Backbone interact. energy: -0.112 local terms energy: -57.609899 where: bonds (distance) C4'-P energy: -12.708 bonds (distance) P-C4' energy: -8.598 flat angles C4'-P-C4' energy: -14.423 flat angles P-C4'-P energy: -8.189 tors. eta vs tors. theta energy: -13.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -181.603809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.603809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.603809 (E_RNA) where: Base-Base interactions energy: -118.461 where: short stacking energy: -47.195 Base-Backbone interact. energy: -0.476 local terms energy: -62.666003 where: bonds (distance) C4'-P energy: -12.696 bonds (distance) P-C4' energy: -15.563 flat angles C4'-P-C4' energy: -13.090 flat angles P-C4'-P energy: -8.303 tors. eta vs tors. theta energy: -13.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -170.353404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.353404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.353404 (E_RNA) where: Base-Base interactions energy: -115.276 where: short stacking energy: -49.789 Base-Backbone interact. energy: -0.595 local terms energy: -54.482875 where: bonds (distance) C4'-P energy: -10.610 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -11.799 flat angles P-C4'-P energy: -7.081 tors. eta vs tors. theta energy: -10.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -168.117069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.117069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.117069 (E_RNA) where: Base-Base interactions energy: -114.865 where: short stacking energy: -42.149 Base-Backbone interact. energy: -0.344 local terms energy: -52.908047 where: bonds (distance) C4'-P energy: -9.828 bonds (distance) P-C4' energy: -11.266 flat angles C4'-P-C4' energy: -11.716 flat angles P-C4'-P energy: -8.070 tors. eta vs tors. theta energy: -12.029 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: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -66.392074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.392074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.392074 (E_RNA) where: Base-Base interactions energy: -23.437 where: short stacking energy: -23.437 Base-Backbone interact. energy: 0.046 local terms energy: -43.001146 where: bonds (distance) C4'-P energy: -10.762 bonds (distance) P-C4' energy: -9.855 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -10.766 tors. eta vs tors. theta energy: -6.455 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: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -165.378767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.378767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.378767 (E_RNA) where: Base-Base interactions energy: -118.323 where: short stacking energy: -42.661 Base-Backbone interact. energy: -0.002 local terms energy: -47.053802 where: bonds (distance) C4'-P energy: -8.026 bonds (distance) P-C4' energy: -8.291 flat angles C4'-P-C4' energy: -11.699 flat angles P-C4'-P energy: -6.536 tors. eta vs tors. theta energy: -12.501 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: 10, replica: 1 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -72.166339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.166339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.166339 (E_RNA) where: Base-Base interactions energy: -25.542 where: short stacking energy: -25.542 Base-Backbone interact. energy: -0.014 local terms energy: -46.610963 where: bonds (distance) C4'-P energy: -5.762 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -10.372 flat angles P-C4'-P energy: -11.513 tors. eta vs tors. theta energy: -6.587 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: 5 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -190.137823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.137823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.137823 (E_RNA) where: Base-Base interactions energy: -125.636 where: short stacking energy: -53.605 Base-Backbone interact. energy: -0.156 local terms energy: -64.345392 where: bonds (distance) C4'-P energy: -13.462 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -12.976 flat angles P-C4'-P energy: -8.924 tors. eta vs tors. theta energy: -15.718 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: 6 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -184.470193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.470193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.470193 (E_RNA) where: Base-Base interactions energy: -127.502 where: short stacking energy: -54.546 Base-Backbone interact. energy: -0.119 local terms energy: -56.848561 where: bonds (distance) C4'-P energy: -9.582 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -15.728 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -13.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -183.266276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.266276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.266276 (E_RNA) where: Base-Base interactions energy: -121.571 where: short stacking energy: -49.640 Base-Backbone interact. energy: -0.001 local terms energy: -61.694011 where: bonds (distance) C4'-P energy: -11.329 bonds (distance) P-C4' energy: -13.593 flat angles C4'-P-C4' energy: -13.015 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -14.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -183.116504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.116504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.116504 (E_RNA) where: Base-Base interactions energy: -124.821 where: short stacking energy: -52.833 Base-Backbone interact. energy: -0.671 local terms energy: -57.624259 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -8.529 flat angles C4'-P-C4' energy: -14.476 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -18.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -177.935930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.935930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.935930 (E_RNA) where: Base-Base interactions energy: -118.770 where: short stacking energy: -47.753 Base-Backbone interact. energy: -0.039 local terms energy: -59.126358 where: bonds (distance) C4'-P energy: -10.486 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -8.944 flat angles P-C4'-P energy: -10.140 tors. eta vs tors. theta energy: -15.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -175.636230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.636230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.636230 (E_RNA) where: Base-Base interactions energy: -117.884 where: short stacking energy: -47.729 Base-Backbone interact. energy: -0.349 local terms energy: -57.402756 where: bonds (distance) C4'-P energy: -10.484 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -9.535 flat angles P-C4'-P energy: -8.666 tors. eta vs tors. theta energy: -15.897 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: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -168.010210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.010210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.010210 (E_RNA) where: Base-Base interactions energy: -117.360 where: short stacking energy: -43.341 Base-Backbone interact. energy: -0.001 local terms energy: -50.648731 where: bonds (distance) C4'-P energy: -11.230 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -9.032 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: -15.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -78.629851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.629851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.629851 (E_RNA) where: Base-Base interactions energy: -40.250 where: short stacking energy: -40.250 Base-Backbone interact. energy: -0.012 local terms energy: -38.367534 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -7.837 flat angles C4'-P-C4' energy: -9.419 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -5.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -86.957373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.957373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.957373 (E_RNA) where: Base-Base interactions energy: -48.092 where: short stacking energy: -16.888 Base-Backbone interact. energy: 0.918 local terms energy: -39.783127 where: bonds (distance) C4'-P energy: -11.061 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -8.665 tors. eta vs tors. theta energy: -0.850 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: 9 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -162.621093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.621093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.621093 (E_RNA) where: Base-Base interactions energy: -106.882 where: short stacking energy: -42.335 Base-Backbone interact. energy: -0.002 local terms energy: -55.736901 where: bonds (distance) C4'-P energy: -12.154 bonds (distance) P-C4' energy: -9.401 flat angles C4'-P-C4' energy: -13.069 flat angles P-C4'-P energy: -7.779 tors. eta vs tors. theta energy: -13.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -190.895348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.895348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.895348 (E_RNA) where: Base-Base interactions energy: -127.926 where: short stacking energy: -53.709 Base-Backbone interact. energy: -0.673 local terms energy: -62.296076 where: bonds (distance) C4'-P energy: -13.570 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -12.788 flat angles P-C4'-P energy: -7.774 tors. eta vs tors. theta energy: -14.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -182.927624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.927624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.927624 (E_RNA) where: Base-Base interactions energy: -121.580 where: short stacking energy: -46.516 Base-Backbone interact. energy: -0.333 local terms energy: -61.014946 where: bonds (distance) C4'-P energy: -12.829 bonds (distance) P-C4' energy: -14.358 flat angles C4'-P-C4' energy: -10.220 flat angles P-C4'-P energy: -8.948 tors. eta vs tors. theta energy: -14.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -187.192184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.192184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.192184 (E_RNA) where: Base-Base interactions energy: -126.468 where: short stacking energy: -58.095 Base-Backbone interact. energy: -0.009 local terms energy: -60.715511 where: bonds (distance) C4'-P energy: -10.940 bonds (distance) P-C4' energy: -9.880 flat angles C4'-P-C4' energy: -14.444 flat angles P-C4'-P energy: -7.898 tors. eta vs tors. theta energy: -17.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -177.966284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.966284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.966284 (E_RNA) where: Base-Base interactions energy: -127.618 where: short stacking energy: -56.268 Base-Backbone interact. energy: -0.003 local terms energy: -50.344601 where: bonds (distance) C4'-P energy: -11.844 bonds (distance) P-C4' energy: -10.795 flat angles C4'-P-C4' energy: -10.136 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -14.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -174.402482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.402482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.402482 (E_RNA) where: Base-Base interactions energy: -121.790 where: short stacking energy: -54.567 Base-Backbone interact. energy: 1.565 local terms energy: -54.176911 where: bonds (distance) C4'-P energy: -11.015 bonds (distance) P-C4' energy: -8.591 flat angles C4'-P-C4' energy: -13.245 flat angles P-C4'-P energy: -6.059 tors. eta vs tors. theta energy: -15.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -177.005366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.005366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.005366 (E_RNA) where: Base-Base interactions energy: -115.419 where: short stacking energy: -48.209 Base-Backbone interact. energy: -0.468 local terms energy: -61.117674 where: bonds (distance) C4'-P energy: -12.937 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -15.070 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -14.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -169.223908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.223908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.223908 (E_RNA) where: Base-Base interactions energy: -107.757 where: short stacking energy: -41.618 Base-Backbone interact. energy: -0.002 local terms energy: -61.464809 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -13.015 flat angles C4'-P-C4' energy: -12.944 flat angles P-C4'-P energy: -7.596 tors. eta vs tors. theta energy: -14.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -72.561714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.561714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.561714 (E_RNA) where: Base-Base interactions energy: -27.784 where: short stacking energy: -24.463 Base-Backbone interact. energy: -0.112 local terms energy: -44.666013 where: bonds (distance) C4'-P energy: -12.783 bonds (distance) P-C4' energy: -14.047 flat angles C4'-P-C4' energy: -8.084 flat angles P-C4'-P energy: -6.388 tors. eta vs tors. theta energy: -3.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -70.947857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.947857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.947857 (E_RNA) where: Base-Base interactions energy: -20.611 where: short stacking energy: -19.965 Base-Backbone interact. energy: -0.903 local terms energy: -49.434569 where: bonds (distance) C4'-P energy: -13.872 bonds (distance) P-C4' energy: -11.180 flat angles C4'-P-C4' energy: -8.665 flat angles P-C4'-P energy: -6.859 tors. eta vs tors. theta energy: -8.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -152.580900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.580900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.580900 (E_RNA) where: Base-Base interactions energy: -110.335 where: short stacking energy: -47.296 Base-Backbone interact. energy: -0.090 local terms energy: -42.155847 where: bonds (distance) C4'-P energy: -8.267 bonds (distance) P-C4' energy: -9.150 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -7.085 tors. eta vs tors. theta energy: -9.564 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: 4 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -185.250936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.250936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.250936 (E_RNA) where: Base-Base interactions energy: -127.042 where: short stacking energy: -46.941 Base-Backbone interact. energy: -0.030 local terms energy: -58.179407 where: bonds (distance) C4'-P energy: -12.006 bonds (distance) P-C4' energy: -11.926 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -8.154 tors. eta vs tors. theta energy: -11.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -186.896419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.896419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.896419 (E_RNA) where: Base-Base interactions energy: -127.503 where: short stacking energy: -50.636 Base-Backbone interact. energy: -0.006 local terms energy: -59.386449 where: bonds (distance) C4'-P energy: -11.934 bonds (distance) P-C4' energy: -11.559 flat angles C4'-P-C4' energy: -13.732 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -17.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -183.139164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.139164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.139164 (E_RNA) where: Base-Base interactions energy: -124.104 where: short stacking energy: -54.486 Base-Backbone interact. energy: -0.413 local terms energy: -58.622152 where: bonds (distance) C4'-P energy: -12.634 bonds (distance) P-C4' energy: -12.889 flat angles C4'-P-C4' energy: -9.153 flat angles P-C4'-P energy: -9.576 tors. eta vs tors. theta energy: -14.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -182.570506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.570506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.570506 (E_RNA) where: Base-Base interactions energy: -124.225 where: short stacking energy: -48.345 Base-Backbone interact. energy: -0.287 local terms energy: -58.059020 where: bonds (distance) C4'-P energy: -9.549 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -11.644 flat angles P-C4'-P energy: -9.269 tors. eta vs tors. theta energy: -15.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -169.609296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.609296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.609296 (E_RNA) where: Base-Base interactions energy: -110.204 where: short stacking energy: -44.048 Base-Backbone interact. energy: -0.433 local terms energy: -58.972852 where: bonds (distance) C4'-P energy: -13.213 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -11.203 flat angles P-C4'-P energy: -8.149 tors. eta vs tors. theta energy: -11.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -174.462609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.462609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.462609 (E_RNA) where: Base-Base interactions energy: -118.802 where: short stacking energy: -50.895 Base-Backbone interact. energy: 1.203 local terms energy: -56.863305 where: bonds (distance) C4'-P energy: -11.019 bonds (distance) P-C4' energy: -11.419 flat angles C4'-P-C4' energy: -13.561 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -14.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -173.315663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.315663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.315663 (E_RNA) where: Base-Base interactions energy: -119.012 where: short stacking energy: -47.084 Base-Backbone interact. energy: -0.004 local terms energy: -54.300269 where: bonds (distance) C4'-P energy: -8.080 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -12.000 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -15.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -78.628163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.628163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.628163 (E_RNA) where: Base-Base interactions energy: -27.473 where: short stacking energy: -17.316 Base-Backbone interact. energy: -0.446 local terms energy: -50.709867 where: bonds (distance) C4'-P energy: -14.261 bonds (distance) P-C4' energy: -12.740 flat angles C4'-P-C4' energy: -10.196 flat angles P-C4'-P energy: -9.898 tors. eta vs tors. theta energy: -3.615 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: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -153.842118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.842118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.842118 (E_RNA) where: Base-Base interactions energy: -106.432 where: short stacking energy: -39.704 Base-Backbone interact. energy: 0.079 local terms energy: -47.489569 where: bonds (distance) C4'-P energy: -8.198 bonds (distance) P-C4' energy: -13.023 flat angles C4'-P-C4' energy: -9.089 flat angles P-C4'-P energy: -6.688 tors. eta vs tors. theta energy: -10.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -70.186036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.186036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.186036 (E_RNA) where: Base-Base interactions energy: -30.006 where: short stacking energy: -13.490 Base-Backbone interact. energy: -0.477 local terms energy: -39.703559 where: bonds (distance) C4'-P energy: -10.493 bonds (distance) P-C4' energy: -13.096 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -9.494 tors. eta vs tors. theta energy: 0.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -191.536402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.536402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.536402 (E_RNA) where: Base-Base interactions energy: -122.726 where: short stacking energy: -51.723 Base-Backbone interact. energy: -0.866 local terms energy: -67.944070 where: bonds (distance) C4'-P energy: -13.317 bonds (distance) P-C4' energy: -14.544 flat angles C4'-P-C4' energy: -12.411 flat angles P-C4'-P energy: -11.322 tors. eta vs tors. theta energy: -16.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -191.276679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.276679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.276679 (E_RNA) where: Base-Base interactions energy: -130.978 where: short stacking energy: -48.901 Base-Backbone interact. energy: -0.118 local terms energy: -60.180409 where: bonds (distance) C4'-P energy: -11.632 bonds (distance) P-C4' energy: -12.948 flat angles C4'-P-C4' energy: -14.046 flat angles P-C4'-P energy: -8.950 tors. eta vs tors. theta energy: -12.604 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: 3, replica: 3 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -182.504819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.504819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.504819 (E_RNA) where: Base-Base interactions energy: -125.537 where: short stacking energy: -48.920 Base-Backbone interact. energy: -0.009 local terms energy: -56.959465 where: bonds (distance) C4'-P energy: -11.951 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -13.907 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: -10.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -180.633475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.633475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.633475 (E_RNA) where: Base-Base interactions energy: -116.122 where: short stacking energy: -43.019 Base-Backbone interact. energy: -0.291 local terms energy: -64.221015 where: bonds (distance) C4'-P energy: -13.934 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -13.322 flat angles P-C4'-P energy: -9.604 tors. eta vs tors. theta energy: -13.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -166.378219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.378219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.378219 (E_RNA) where: Base-Base interactions energy: -107.538 where: short stacking energy: -41.510 Base-Backbone interact. energy: -0.127 local terms energy: -58.713017 where: bonds (distance) C4'-P energy: -14.456 bonds (distance) P-C4' energy: -12.025 flat angles C4'-P-C4' energy: -10.506 flat angles P-C4'-P energy: -9.529 tors. eta vs tors. theta energy: -12.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -168.061757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.061757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.061757 (E_RNA) where: Base-Base interactions energy: -107.168 where: short stacking energy: -52.886 Base-Backbone interact. energy: -0.003 local terms energy: -60.891022 where: bonds (distance) C4'-P energy: -13.317 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -12.016 flat angles P-C4'-P energy: -7.950 tors. eta vs tors. theta energy: -14.738 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: 10 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -174.679895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.679895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.679895 (E_RNA) where: Base-Base interactions energy: -108.182 where: short stacking energy: -44.464 Base-Backbone interact. energy: -0.000 local terms energy: -66.497088 where: bonds (distance) C4'-P energy: -13.781 bonds (distance) P-C4' energy: -14.243 flat angles C4'-P-C4' energy: -13.077 flat angles P-C4'-P energy: -11.259 tors. eta vs tors. theta energy: -14.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -170.040153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.040153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.040153 (E_RNA) where: Base-Base interactions energy: -117.602 where: short stacking energy: -46.359 Base-Backbone interact. energy: 0.010 local terms energy: -52.447371 where: bonds (distance) C4'-P energy: -7.832 bonds (distance) P-C4' energy: -11.447 flat angles C4'-P-C4' energy: -11.628 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -13.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -59.728970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.728970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.728970 (E_RNA) where: Base-Base interactions energy: -19.070 where: short stacking energy: -18.400 Base-Backbone interact. energy: 1.587 local terms energy: -42.245126 where: bonds (distance) C4'-P energy: -13.044 bonds (distance) P-C4' energy: -11.199 flat angles C4'-P-C4' energy: -8.952 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -3.322 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: 7 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -64.940593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.940593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.940593 (E_RNA) where: Base-Base interactions energy: -25.140 where: short stacking energy: -20.066 Base-Backbone interact. energy: -0.066 local terms energy: -39.734635 where: bonds (distance) C4'-P energy: -9.802 bonds (distance) P-C4' energy: -12.889 flat angles C4'-P-C4' energy: -7.093 flat angles P-C4'-P energy: -6.817 tors. eta vs tors. theta energy: -3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -188.314868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.314868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.314868 (E_RNA) where: Base-Base interactions energy: -132.687 where: short stacking energy: -47.224 Base-Backbone interact. energy: -0.013 local terms energy: -55.614450 where: bonds (distance) C4'-P energy: -10.200 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -14.813 flat angles P-C4'-P energy: -7.051 tors. eta vs tors. theta energy: -11.010 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: 4 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -187.822285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.822285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.822285 (E_RNA) where: Base-Base interactions energy: -128.145 where: short stacking energy: -51.663 Base-Backbone interact. energy: -0.002 local terms energy: -59.675592 where: bonds (distance) C4'-P energy: -12.282 bonds (distance) P-C4' energy: -12.170 flat angles C4'-P-C4' energy: -11.776 flat angles P-C4'-P energy: -8.822 tors. eta vs tors. theta energy: -14.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -181.109241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.109241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.109241 (E_RNA) where: Base-Base interactions energy: -118.997 where: short stacking energy: -49.360 Base-Backbone interact. energy: -0.452 local terms energy: -61.660743 where: bonds (distance) C4'-P energy: -12.737 bonds (distance) P-C4' energy: -10.540 flat angles C4'-P-C4' energy: -10.728 flat angles P-C4'-P energy: -10.693 tors. eta vs tors. theta energy: -16.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -175.011391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.011391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.011391 (E_RNA) where: Base-Base interactions energy: -128.397 where: short stacking energy: -51.829 Base-Backbone interact. energy: -0.118 local terms energy: -46.496447 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -12.074 flat angles P-C4'-P energy: -1.337 tors. eta vs tors. theta energy: -9.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -175.904141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.904141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.904141 (E_RNA) where: Base-Base interactions energy: -121.477 where: short stacking energy: -42.725 Base-Backbone interact. energy: 0.417 local terms energy: -54.843452 where: bonds (distance) C4'-P energy: -12.543 bonds (distance) P-C4' energy: -11.623 flat angles C4'-P-C4' energy: -11.429 flat angles P-C4'-P energy: -5.647 tors. eta vs tors. theta energy: -13.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -144.511002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.511002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.511002 (E_RNA) where: Base-Base interactions energy: -97.300 where: short stacking energy: -34.124 Base-Backbone interact. energy: -0.108 local terms energy: -47.102647 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -12.286 flat angles C4'-P-C4' energy: -12.495 flat angles P-C4'-P energy: -7.285 tors. eta vs tors. theta energy: -8.521 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: 9 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -170.831276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.831276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.831276 (E_RNA) where: Base-Base interactions energy: -119.902 where: short stacking energy: -41.573 Base-Backbone interact. energy: -0.582 local terms energy: -50.347553 where: bonds (distance) C4'-P energy: -6.639 bonds (distance) P-C4' energy: -10.915 flat angles C4'-P-C4' energy: -11.688 flat angles P-C4'-P energy: -9.332 tors. eta vs tors. theta energy: -11.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -161.481090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.481090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.481090 (E_RNA) where: Base-Base interactions energy: -108.082 where: short stacking energy: -42.402 Base-Backbone interact. energy: 0.616 local terms energy: -54.014654 where: bonds (distance) C4'-P energy: -11.003 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -10.043 flat angles P-C4'-P energy: -7.698 tors. eta vs tors. theta energy: -12.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -71.955679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.955679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.955679 (E_RNA) where: Base-Base interactions energy: -32.715 where: short stacking energy: -29.055 Base-Backbone interact. energy: -0.161 local terms energy: -39.079110 where: bonds (distance) C4'-P energy: -10.022 bonds (distance) P-C4' energy: -10.587 flat angles C4'-P-C4' energy: -2.025 flat angles P-C4'-P energy: -9.552 tors. eta vs tors. theta energy: -6.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -65.178873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.178873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.178873 (E_RNA) where: Base-Base interactions energy: -19.465 where: short stacking energy: -18.718 Base-Backbone interact. energy: -0.075 local terms energy: -45.639275 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -12.293 flat angles C4'-P-C4' energy: -10.966 flat angles P-C4'-P energy: -6.000 tors. eta vs tors. theta energy: -2.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -188.238125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.238125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.238125 (E_RNA) where: Base-Base interactions energy: -134.869 where: short stacking energy: -56.287 Base-Backbone interact. energy: -0.025 local terms energy: -53.343975 where: bonds (distance) C4'-P energy: -13.097 bonds (distance) P-C4' energy: -9.967 flat angles C4'-P-C4' energy: -13.713 flat angles P-C4'-P energy: -1.716 tors. eta vs tors. theta energy: -14.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -189.632564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.632564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.632564 (E_RNA) where: Base-Base interactions energy: -129.906 where: short stacking energy: -48.290 Base-Backbone interact. energy: -0.012 local terms energy: -59.714859 where: bonds (distance) C4'-P energy: -13.800 bonds (distance) P-C4' energy: -13.376 flat angles C4'-P-C4' energy: -14.708 flat angles P-C4'-P energy: -2.404 tors. eta vs tors. theta energy: -15.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -184.995632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.995632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.995632 (E_RNA) where: Base-Base interactions energy: -126.331 where: short stacking energy: -52.510 Base-Backbone interact. energy: -0.041 local terms energy: -58.623996 where: bonds (distance) C4'-P energy: -13.396 bonds (distance) P-C4' energy: -11.637 flat angles C4'-P-C4' energy: -13.398 flat angles P-C4'-P energy: -7.606 tors. eta vs tors. theta energy: -12.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -176.930425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.930425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.930425 (E_RNA) where: Base-Base interactions energy: -119.638 where: short stacking energy: -39.482 Base-Backbone interact. energy: -0.099 local terms energy: -57.193617 where: bonds (distance) C4'-P energy: -10.630 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -11.137 flat angles P-C4'-P energy: -7.610 tors. eta vs tors. theta energy: -13.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -175.176670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.176670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.176670 (E_RNA) where: Base-Base interactions energy: -123.851 where: short stacking energy: -52.386 Base-Backbone interact. energy: 0.824 local terms energy: -52.149529 where: bonds (distance) C4'-P energy: -5.778 bonds (distance) P-C4' energy: -12.197 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: -15.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -169.750645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.750645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.750645 (E_RNA) where: Base-Base interactions energy: -117.168 where: short stacking energy: -45.205 Base-Backbone interact. energy: -0.099 local terms energy: -52.483175 where: bonds (distance) C4'-P energy: -10.569 bonds (distance) P-C4' energy: -10.522 flat angles C4'-P-C4' energy: -8.973 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -13.547 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: 7, replica: 8 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -102.865415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.865415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.865415 (E_RNA) where: Base-Base interactions energy: -67.203 where: short stacking energy: -21.096 Base-Backbone interact. energy: -0.239 local terms energy: -35.423252 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -12.268 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -3.569 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: 8, replica: 10 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -171.975980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.975980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.975980 (E_RNA) where: Base-Base interactions energy: -116.880 where: short stacking energy: -41.004 Base-Backbone interact. energy: -0.787 local terms energy: -54.308993 where: bonds (distance) C4'-P energy: -10.796 bonds (distance) P-C4' energy: -15.576 flat angles C4'-P-C4' energy: -11.950 flat angles P-C4'-P energy: -8.705 tors. eta vs tors. theta energy: -7.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -62.324124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.324124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.324124 (E_RNA) where: Base-Base interactions energy: -17.623 where: short stacking energy: -17.623 Base-Backbone interact. energy: -0.053 local terms energy: -44.647971 where: bonds (distance) C4'-P energy: -9.981 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -9.337 flat angles P-C4'-P energy: -7.567 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: 10, replica: 1 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -66.810182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.810182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.810182 (E_RNA) where: Base-Base interactions energy: -28.741 where: short stacking energy: -26.429 Base-Backbone interact. energy: -0.188 local terms energy: -37.880974 where: bonds (distance) C4'-P energy: -8.155 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -9.819 flat angles P-C4'-P energy: -2.468 tors. eta vs tors. theta energy: -4.808 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: 6 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -193.816619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.816619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.816619 (E_RNA) where: Base-Base interactions energy: -131.589 where: short stacking energy: -55.918 Base-Backbone interact. energy: -0.583 local terms energy: -61.644903 where: bonds (distance) C4'-P energy: -9.343 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -13.335 flat angles P-C4'-P energy: -9.027 tors. eta vs tors. theta energy: -17.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -189.629329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.629329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.629329 (E_RNA) where: Base-Base interactions energy: -124.134 where: short stacking energy: -52.022 Base-Backbone interact. energy: -0.159 local terms energy: -65.337011 where: bonds (distance) C4'-P energy: -12.684 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -10.913 flat angles P-C4'-P energy: -11.617 tors. eta vs tors. theta energy: -15.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -181.163959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.163959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.163959 (E_RNA) where: Base-Base interactions energy: -122.403 where: short stacking energy: -54.187 Base-Backbone interact. energy: -0.599 local terms energy: -58.161697 where: bonds (distance) C4'-P energy: -11.019 bonds (distance) P-C4' energy: -12.410 flat angles C4'-P-C4' energy: -13.248 flat angles P-C4'-P energy: -6.567 tors. eta vs tors. theta energy: -14.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -183.871252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.871252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.871252 (E_RNA) where: Base-Base interactions energy: -121.234 where: short stacking energy: -52.463 Base-Backbone interact. energy: -0.110 local terms energy: -62.527649 where: bonds (distance) C4'-P energy: -11.180 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -11.453 flat angles P-C4'-P energy: -8.887 tors. eta vs tors. theta energy: -16.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -173.548681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.548681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.548681 (E_RNA) where: Base-Base interactions energy: -124.818 where: short stacking energy: -45.023 Base-Backbone interact. energy: -0.001 local terms energy: -48.729295 where: bonds (distance) C4'-P energy: -11.612 bonds (distance) P-C4' energy: -11.141 flat angles C4'-P-C4' energy: -8.507 flat angles P-C4'-P energy: -6.838 tors. eta vs tors. theta energy: -10.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -175.689448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.689448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.689448 (E_RNA) where: Base-Base interactions energy: -116.004 where: short stacking energy: -48.481 Base-Backbone interact. energy: -0.081 local terms energy: -59.604404 where: bonds (distance) C4'-P energy: -11.106 bonds (distance) P-C4' energy: -9.793 flat angles C4'-P-C4' energy: -13.472 flat angles P-C4'-P energy: -12.450 tors. eta vs tors. theta energy: -12.783 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: 10 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -181.767433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.767433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.767433 (E_RNA) where: Base-Base interactions energy: -122.665 where: short stacking energy: -51.801 Base-Backbone interact. energy: -0.057 local terms energy: -59.045428 where: bonds (distance) C4'-P energy: -12.721 bonds (distance) P-C4' energy: -10.417 flat angles C4'-P-C4' energy: -12.720 flat angles P-C4'-P energy: -6.879 tors. eta vs tors. theta energy: -16.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -80.549057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.549057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.549057 (E_RNA) where: Base-Base interactions energy: -30.354 where: short stacking energy: -23.907 Base-Backbone interact. energy: -0.053 local terms energy: -50.142409 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -12.198 flat angles C4'-P-C4' energy: -10.425 flat angles P-C4'-P energy: -8.761 tors. eta vs tors. theta energy: -6.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -67.810629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.810629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.810629 (E_RNA) where: Base-Base interactions energy: -20.927 where: short stacking energy: -18.905 Base-Backbone interact. energy: 0.428 local terms energy: -47.310859 where: bonds (distance) C4'-P energy: -11.507 bonds (distance) P-C4' energy: -13.706 flat angles C4'-P-C4' energy: -14.116 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -1.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -64.783300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.783300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.783300 (E_RNA) where: Base-Base interactions energy: -28.129 where: short stacking energy: -26.609 Base-Backbone interact. energy: -0.106 local terms energy: -36.547743 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -5.578 flat angles C4'-P-C4' energy: -14.076 flat angles P-C4'-P energy: -7.310 tors. eta vs tors. theta energy: -2.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -188.463860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.463860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.463860 (E_RNA) where: Base-Base interactions energy: -121.492 where: short stacking energy: -49.439 Base-Backbone interact. energy: -0.900 local terms energy: -66.071596 where: bonds (distance) C4'-P energy: -12.178 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -15.904 flat angles P-C4'-P energy: -9.810 tors. eta vs tors. theta energy: -15.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -184.821969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.821969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.821969 (E_RNA) where: Base-Base interactions energy: -121.427 where: short stacking energy: -52.837 Base-Backbone interact. energy: -0.003 local terms energy: -63.392445 where: bonds (distance) C4'-P energy: -12.811 bonds (distance) P-C4' energy: -14.527 flat angles C4'-P-C4' energy: -14.007 flat angles P-C4'-P energy: -6.696 tors. eta vs tors. theta energy: -15.351 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: 5 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -189.614035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.614035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.614035 (E_RNA) where: Base-Base interactions energy: -126.773 where: short stacking energy: -53.992 Base-Backbone interact. energy: -0.001 local terms energy: -62.839840 where: bonds (distance) C4'-P energy: -9.522 bonds (distance) P-C4' energy: -13.509 flat angles C4'-P-C4' energy: -14.578 flat angles P-C4'-P energy: -8.444 tors. eta vs tors. theta energy: -16.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -177.174191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.174191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.174191 (E_RNA) where: Base-Base interactions energy: -117.280 where: short stacking energy: -48.072 Base-Backbone interact. energy: -0.021 local terms energy: -59.872932 where: bonds (distance) C4'-P energy: -13.135 bonds (distance) P-C4' energy: -14.192 flat angles C4'-P-C4' energy: -9.869 flat angles P-C4'-P energy: -9.226 tors. eta vs tors. theta energy: -13.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -180.425617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.425617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.425617 (E_RNA) where: Base-Base interactions energy: -123.259 where: short stacking energy: -51.459 Base-Backbone interact. energy: -0.688 local terms energy: -56.478806 where: bonds (distance) C4'-P energy: -11.450 bonds (distance) P-C4' energy: -13.301 flat angles C4'-P-C4' energy: -10.905 flat angles P-C4'-P energy: -8.387 tors. eta vs tors. theta energy: -12.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -168.170509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.170509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.170509 (E_RNA) where: Base-Base interactions energy: -113.672 where: short stacking energy: -47.069 Base-Backbone interact. energy: 0.623 local terms energy: -55.122313 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -11.863 flat angles C4'-P-C4' energy: -11.464 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -14.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -170.581440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.581440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.581440 (E_RNA) where: Base-Base interactions energy: -115.698 where: short stacking energy: -48.360 Base-Backbone interact. energy: -0.002 local terms energy: -54.881817 where: bonds (distance) C4'-P energy: -11.000 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -11.004 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -14.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -64.788368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.788368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.788368 (E_RNA) where: Base-Base interactions energy: -20.118 where: short stacking energy: -15.709 Base-Backbone interact. energy: -0.036 local terms energy: -44.634104 where: bonds (distance) C4'-P energy: -13.276 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -8.717 tors. eta vs tors. theta energy: -1.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -67.261090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.261090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.261090 (E_RNA) where: Base-Base interactions energy: -34.560 where: short stacking energy: -13.378 Base-Backbone interact. energy: -0.335 local terms energy: -32.366128 where: bonds (distance) C4'-P energy: -10.432 bonds (distance) P-C4' energy: -9.052 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -7.903 tors. eta vs tors. theta energy: 1.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -78.317410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.317410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.317410 (E_RNA) where: Base-Base interactions energy: -36.373 where: short stacking energy: -25.051 Base-Backbone interact. energy: -0.130 local terms energy: -41.814013 where: bonds (distance) C4'-P energy: -6.019 bonds (distance) P-C4' energy: -9.602 flat angles C4'-P-C4' energy: -11.949 flat angles P-C4'-P energy: -7.905 tors. eta vs tors. theta energy: -6.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -184.364010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.364010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.364010 (E_RNA) where: Base-Base interactions energy: -122.914 where: short stacking energy: -51.107 Base-Backbone interact. energy: 0.159 local terms energy: -61.609138 where: bonds (distance) C4'-P energy: -12.058 bonds (distance) P-C4' energy: -14.269 flat angles C4'-P-C4' energy: -13.023 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: -15.438 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: 6 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -183.084232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.084232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.084232 (E_RNA) where: Base-Base interactions energy: -121.579 where: short stacking energy: -49.221 Base-Backbone interact. energy: -0.110 local terms energy: -61.395417 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -11.533 flat angles C4'-P-C4' energy: -12.925 flat angles P-C4'-P energy: -9.179 tors. eta vs tors. theta energy: -14.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -178.722797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.722797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.722797 (E_RNA) where: Base-Base interactions energy: -115.514 where: short stacking energy: -43.119 Base-Backbone interact. energy: -0.222 local terms energy: -62.986440 where: bonds (distance) C4'-P energy: -13.255 bonds (distance) P-C4' energy: -13.646 flat angles C4'-P-C4' energy: -11.598 flat angles P-C4'-P energy: -9.395 tors. eta vs tors. theta energy: -15.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -179.632273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.632273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.632273 (E_RNA) where: Base-Base interactions energy: -122.956 where: short stacking energy: -49.662 Base-Backbone interact. energy: -0.012 local terms energy: -56.664474 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -11.064 flat angles P-C4'-P energy: -9.970 tors. eta vs tors. theta energy: -12.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -180.978682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.978682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.978682 (E_RNA) where: Base-Base interactions energy: -121.805 where: short stacking energy: -39.156 Base-Backbone interact. energy: -0.341 local terms energy: -58.832360 where: bonds (distance) C4'-P energy: -11.470 bonds (distance) P-C4' energy: -12.327 flat angles C4'-P-C4' energy: -13.098 flat angles P-C4'-P energy: -8.084 tors. eta vs tors. theta energy: -13.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -177.209157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.209157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.209157 (E_RNA) where: Base-Base interactions energy: -125.649 where: short stacking energy: -45.906 Base-Backbone interact. energy: -0.792 local terms energy: -50.767668 where: bonds (distance) C4'-P energy: -12.394 bonds (distance) P-C4' energy: -7.640 flat angles C4'-P-C4' energy: -11.775 flat angles P-C4'-P energy: -6.014 tors. eta vs tors. theta energy: -12.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -163.987812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.987812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.987812 (E_RNA) where: Base-Base interactions energy: -108.173 where: short stacking energy: -47.493 Base-Backbone interact. energy: -0.013 local terms energy: -55.802309 where: bonds (distance) C4'-P energy: -13.486 bonds (distance) P-C4' energy: -12.366 flat angles C4'-P-C4' energy: -8.959 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -16.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -70.989248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.989248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.989248 (E_RNA) where: Base-Base interactions energy: -23.329 where: short stacking energy: -23.329 Base-Backbone interact. energy: -0.066 local terms energy: -47.593467 where: bonds (distance) C4'-P energy: -11.755 bonds (distance) P-C4' energy: -11.665 flat angles C4'-P-C4' energy: -10.714 flat angles P-C4'-P energy: -5.917 tors. eta vs tors. theta energy: -7.542 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: 8 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -64.341341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.341341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.341341 (E_RNA) where: Base-Base interactions energy: -23.888 where: short stacking energy: -23.888 Base-Backbone interact. energy: -0.107 local terms energy: -40.345905 where: bonds (distance) C4'-P energy: -10.731 bonds (distance) P-C4' energy: -10.640 flat angles C4'-P-C4' energy: -13.898 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -0.882 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: 182 Temperature: 1.350000 Total energy: -69.871892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.871892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.871892 (E_RNA) where: Base-Base interactions energy: -30.636 where: short stacking energy: -21.279 Base-Backbone interact. energy: -0.833 local terms energy: -38.403766 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -9.021 flat angles P-C4'-P energy: -7.515 tors. eta vs tors. theta energy: -1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -194.456810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.456810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.456810 (E_RNA) where: Base-Base interactions energy: -131.729 where: short stacking energy: -51.913 Base-Backbone interact. energy: -0.102 local terms energy: -62.625958 where: bonds (distance) C4'-P energy: -12.974 bonds (distance) P-C4' energy: -8.542 flat angles C4'-P-C4' energy: -14.972 flat angles P-C4'-P energy: -12.264 tors. eta vs tors. theta energy: -13.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -185.358529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.358529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.358529 (E_RNA) where: Base-Base interactions energy: -125.345 where: short stacking energy: -52.166 Base-Backbone interact. energy: -0.917 local terms energy: -59.096291 where: bonds (distance) C4'-P energy: -11.269 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -11.552 flat angles P-C4'-P energy: -9.130 tors. eta vs tors. theta energy: -15.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -182.489524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.489524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.489524 (E_RNA) where: Base-Base interactions energy: -125.329 where: short stacking energy: -50.034 Base-Backbone interact. energy: -0.510 local terms energy: -56.650478 where: bonds (distance) C4'-P energy: -11.951 bonds (distance) P-C4' energy: -12.546 flat angles C4'-P-C4' energy: -14.009 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -13.457 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: 10 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -176.596440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.596440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.596440 (E_RNA) where: Base-Base interactions energy: -119.813 where: short stacking energy: -48.866 Base-Backbone interact. energy: -0.137 local terms energy: -56.645733 where: bonds (distance) C4'-P energy: -9.327 bonds (distance) P-C4' energy: -12.907 flat angles C4'-P-C4' energy: -14.791 flat angles P-C4'-P energy: -6.841 tors. eta vs tors. theta energy: -12.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -181.995237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.995237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.995237 (E_RNA) where: Base-Base interactions energy: -119.808 where: short stacking energy: -51.550 Base-Backbone interact. energy: 0.659 local terms energy: -62.845846 where: bonds (distance) C4'-P energy: -13.150 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -13.977 flat angles P-C4'-P energy: -8.925 tors. eta vs tors. theta energy: -13.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -176.781637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.781637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.781637 (E_RNA) where: Base-Base interactions energy: -117.885 where: short stacking energy: -47.933 Base-Backbone interact. energy: -0.130 local terms energy: -58.766422 where: bonds (distance) C4'-P energy: -9.723 bonds (distance) P-C4' energy: -13.225 flat angles C4'-P-C4' energy: -12.086 flat angles P-C4'-P energy: -8.435 tors. eta vs tors. theta energy: -15.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -170.929062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.929062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.929062 (E_RNA) where: Base-Base interactions energy: -124.015 where: short stacking energy: -42.615 Base-Backbone interact. energy: -0.195 local terms energy: -46.718901 where: bonds (distance) C4'-P energy: -9.012 bonds (distance) P-C4' energy: -10.408 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -10.480 tors. eta vs tors. theta energy: -9.952 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: 8 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -69.884861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.884861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.884861 (E_RNA) where: Base-Base interactions energy: -30.112 where: short stacking energy: -28.288 Base-Backbone interact. energy: -0.031 local terms energy: -39.742221 where: bonds (distance) C4'-P energy: -12.969 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -10.500 flat angles P-C4'-P energy: -6.021 tors. eta vs tors. theta energy: -1.640 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: 9, replica: 1 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -70.605082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.605082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.605082 (E_RNA) where: Base-Base interactions energy: -21.959 where: short stacking energy: -21.959 Base-Backbone interact. energy: -0.110 local terms energy: -48.536802 where: bonds (distance) C4'-P energy: -8.954 bonds (distance) P-C4' energy: -13.825 flat angles C4'-P-C4' energy: -11.666 flat angles P-C4'-P energy: -7.392 tors. eta vs tors. theta energy: -6.700 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: 10, replica: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -74.772481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.772481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.772481 (E_RNA) where: Base-Base interactions energy: -30.245 where: short stacking energy: -30.245 Base-Backbone interact. energy: -0.032 local terms energy: -44.495645 where: bonds (distance) C4'-P energy: -8.096 bonds (distance) P-C4' energy: -10.567 flat angles C4'-P-C4' energy: -13.031 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -7.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -189.590818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.590818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.590818 (E_RNA) where: Base-Base interactions energy: -131.316 where: short stacking energy: -47.883 Base-Backbone interact. energy: -0.135 local terms energy: -58.138887 where: bonds (distance) C4'-P energy: -12.804 bonds (distance) P-C4' energy: -9.921 flat angles C4'-P-C4' energy: -11.437 flat angles P-C4'-P energy: -7.820 tors. eta vs tors. theta energy: -16.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -186.123326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.123326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.123326 (E_RNA) where: Base-Base interactions energy: -127.242 where: short stacking energy: -52.280 Base-Backbone interact. energy: 0.457 local terms energy: -59.338473 where: bonds (distance) C4'-P energy: -10.010 bonds (distance) P-C4' energy: -10.103 flat angles C4'-P-C4' energy: -13.904 flat angles P-C4'-P energy: -9.179 tors. eta vs tors. theta energy: -16.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -182.930316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.930316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.930316 (E_RNA) where: Base-Base interactions energy: -117.535 where: short stacking energy: -49.472 Base-Backbone interact. energy: -1.117 local terms energy: -64.278342 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -13.801 flat angles P-C4'-P energy: -9.810 tors. eta vs tors. theta energy: -14.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -172.303012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.303012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.303012 (E_RNA) where: Base-Base interactions energy: -122.031 where: short stacking energy: -46.458 Base-Backbone interact. energy: -0.183 local terms energy: -50.089123 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -12.371 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -11.013 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: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -182.165204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.165204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.165204 (E_RNA) where: Base-Base interactions energy: -123.252 where: short stacking energy: -51.074 Base-Backbone interact. energy: 1.335 local terms energy: -60.248671 where: bonds (distance) C4'-P energy: -12.527 bonds (distance) P-C4' energy: -10.254 flat angles C4'-P-C4' energy: -12.099 flat angles P-C4'-P energy: -7.963 tors. eta vs tors. theta energy: -17.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -176.107676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.107676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.107676 (E_RNA) where: Base-Base interactions energy: -120.987 where: short stacking energy: -48.750 Base-Backbone interact. energy: -0.752 local terms energy: -54.368860 where: bonds (distance) C4'-P energy: -8.159 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -10.908 flat angles P-C4'-P energy: -9.392 tors. eta vs tors. theta energy: -12.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -165.285549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.285549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.285549 (E_RNA) where: Base-Base interactions energy: -109.614 where: short stacking energy: -42.710 Base-Backbone interact. energy: -0.102 local terms energy: -55.569344 where: bonds (distance) C4'-P energy: -10.887 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -9.791 flat angles P-C4'-P energy: -7.498 tors. eta vs tors. theta energy: -14.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -78.217047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.217047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.217047 (E_RNA) where: Base-Base interactions energy: -35.510 where: short stacking energy: -29.987 Base-Backbone interact. energy: 0.382 local terms energy: -43.089125 where: bonds (distance) C4'-P energy: -10.004 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -12.989 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -0.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -88.971721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.971721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.971721 (E_RNA) where: Base-Base interactions energy: -53.855 where: short stacking energy: -15.060 Base-Backbone interact. energy: -0.204 local terms energy: -34.912838 where: bonds (distance) C4'-P energy: -12.303 bonds (distance) P-C4' energy: -11.206 flat angles C4'-P-C4' energy: -10.167 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: 3.261 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: 10, replica: 1 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -55.784049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.784049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.784049 (E_RNA) where: Base-Base interactions energy: -26.860 where: short stacking energy: -11.006 Base-Backbone interact. energy: 0.111 local terms energy: -29.034778 where: bonds (distance) C4'-P energy: -11.252 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -8.551 flat angles P-C4'-P energy: 0.754 tors. eta vs tors. theta energy: 2.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -195.944027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.944027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.944027 (E_RNA) where: Base-Base interactions energy: -132.799 where: short stacking energy: -55.941 Base-Backbone interact. energy: -0.489 local terms energy: -62.656083 where: bonds (distance) C4'-P energy: -13.718 bonds (distance) P-C4' energy: -12.566 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -5.655 tors. eta vs tors. theta energy: -17.334 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: 6 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -189.087607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.087607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.087607 (E_RNA) where: Base-Base interactions energy: -128.648 where: short stacking energy: -48.153 Base-Backbone interact. energy: -0.116 local terms energy: -60.323671 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -13.379 flat angles C4'-P-C4' energy: -12.025 flat angles P-C4'-P energy: -8.768 tors. eta vs tors. theta energy: -13.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -179.759231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.759231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.759231 (E_RNA) where: Base-Base interactions energy: -122.950 where: short stacking energy: -47.647 Base-Backbone interact. energy: -0.003 local terms energy: -56.806737 where: bonds (distance) C4'-P energy: -9.434 bonds (distance) P-C4' energy: -10.168 flat angles C4'-P-C4' energy: -13.586 flat angles P-C4'-P energy: -6.660 tors. eta vs tors. theta energy: -16.959 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: 4, replica: 4 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -179.169785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.169785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.169785 (E_RNA) where: Base-Base interactions energy: -115.285 where: short stacking energy: -46.724 Base-Backbone interact. energy: -0.056 local terms energy: -63.829511 where: bonds (distance) C4'-P energy: -10.141 bonds (distance) P-C4' energy: -12.709 flat angles C4'-P-C4' energy: -14.393 flat angles P-C4'-P energy: -10.601 tors. eta vs tors. theta energy: -15.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -178.759499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.759499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.759499 (E_RNA) where: Base-Base interactions energy: -126.290 where: short stacking energy: -52.181 Base-Backbone interact. energy: -0.056 local terms energy: -52.413914 where: bonds (distance) C4'-P energy: -8.855 bonds (distance) P-C4' energy: -9.402 flat angles C4'-P-C4' energy: -11.782 flat angles P-C4'-P energy: -8.338 tors. eta vs tors. theta energy: -14.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -173.066539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.066539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.066539 (E_RNA) where: Base-Base interactions energy: -110.415 where: short stacking energy: -39.312 Base-Backbone interact. energy: -0.004 local terms energy: -62.647301 where: bonds (distance) C4'-P energy: -10.680 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -14.362 flat angles P-C4'-P energy: -10.753 tors. eta vs tors. theta energy: -14.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -172.366571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.366571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.366571 (E_RNA) where: Base-Base interactions energy: -109.059 where: short stacking energy: -44.396 Base-Backbone interact. energy: -0.668 local terms energy: -62.639565 where: bonds (distance) C4'-P energy: -11.951 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -13.381 flat angles P-C4'-P energy: -10.010 tors. eta vs tors. theta energy: -12.390 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: 8, replica: 7 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -67.822524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.822524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.822524 (E_RNA) where: Base-Base interactions energy: -24.133 where: short stacking energy: -17.366 Base-Backbone interact. energy: -0.264 local terms energy: -43.425410 where: bonds (distance) C4'-P energy: -8.704 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -13.829 flat angles P-C4'-P energy: -6.247 tors. eta vs tors. theta energy: -0.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -67.983353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.983353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.983353 (E_RNA) where: Base-Base interactions energy: -26.352 where: short stacking energy: -26.352 Base-Backbone interact. energy: 0.664 local terms energy: -42.295810 where: bonds (distance) C4'-P energy: -6.588 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -11.142 flat angles P-C4'-P energy: -10.528 tors. eta vs tors. theta energy: -2.126 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: 1 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -81.261536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.261536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.261536 (E_RNA) where: Base-Base interactions energy: -39.499 where: short stacking energy: -16.681 Base-Backbone interact. energy: -0.038 local terms energy: -41.723969 where: bonds (distance) C4'-P energy: -11.107 bonds (distance) P-C4' energy: -10.578 flat angles C4'-P-C4' energy: -11.029 flat angles P-C4'-P energy: -5.254 tors. eta vs tors. theta energy: -3.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -182.773886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.773886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.773886 (E_RNA) where: Base-Base interactions energy: -119.397 where: short stacking energy: -45.637 Base-Backbone interact. energy: -0.019 local terms energy: -63.357552 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -12.628 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -11.691 tors. eta vs tors. theta energy: -14.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -184.606369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.606369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.606369 (E_RNA) where: Base-Base interactions energy: -121.398 where: short stacking energy: -50.555 Base-Backbone interact. energy: 0.088 local terms energy: -63.296011 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -13.302 flat angles P-C4'-P energy: -9.654 tors. eta vs tors. theta energy: -12.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -185.210318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.210318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.210318 (E_RNA) where: Base-Base interactions energy: -126.474 where: short stacking energy: -50.972 Base-Backbone interact. energy: -0.000 local terms energy: -58.735607 where: bonds (distance) C4'-P energy: -11.181 bonds (distance) P-C4' energy: -10.221 flat angles C4'-P-C4' energy: -13.624 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -15.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -183.648674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.648674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.648674 (E_RNA) where: Base-Base interactions energy: -124.922 where: short stacking energy: -49.623 Base-Backbone interact. energy: -0.492 local terms energy: -58.235518 where: bonds (distance) C4'-P energy: -12.699 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -12.823 flat angles P-C4'-P energy: -6.338 tors. eta vs tors. theta energy: -12.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -175.176408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.176408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.176408 (E_RNA) where: Base-Base interactions energy: -118.659 where: short stacking energy: -50.492 Base-Backbone interact. energy: -0.021 local terms energy: -56.496332 where: bonds (distance) C4'-P energy: -11.400 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -9.223 flat angles P-C4'-P energy: -7.318 tors. eta vs tors. theta energy: -15.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -174.766251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.766251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.766251 (E_RNA) where: Base-Base interactions energy: -120.377 where: short stacking energy: -51.999 Base-Backbone interact. energy: -0.006 local terms energy: -54.383187 where: bonds (distance) C4'-P energy: -12.179 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -10.386 flat angles P-C4'-P energy: -8.796 tors. eta vs tors. theta energy: -12.344 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: 7, replica: 5 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -177.462045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.462045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.462045 (E_RNA) where: Base-Base interactions energy: -117.980 where: short stacking energy: -44.578 Base-Backbone interact. energy: -0.121 local terms energy: -59.361181 where: bonds (distance) C4'-P energy: -11.826 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -9.604 flat angles P-C4'-P energy: -10.951 tors. eta vs tors. theta energy: -14.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -71.613743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.613743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.613743 (E_RNA) where: Base-Base interactions energy: -32.661 where: short stacking energy: -23.063 Base-Backbone interact. energy: -0.051 local terms energy: -38.901656 where: bonds (distance) C4'-P energy: -6.829 bonds (distance) P-C4' energy: -10.235 flat angles C4'-P-C4' energy: -12.284 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -4.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -62.121919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.121919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.121919 (E_RNA) where: Base-Base interactions energy: -23.054 where: short stacking energy: -19.288 Base-Backbone interact. energy: -0.082 local terms energy: -38.986517 where: bonds (distance) C4'-P energy: -8.626 bonds (distance) P-C4' energy: -11.426 flat angles C4'-P-C4' energy: -11.874 flat angles P-C4'-P energy: -7.389 tors. eta vs tors. theta energy: 0.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -65.468476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.468476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.468476 (E_RNA) where: Base-Base interactions energy: -25.086 where: short stacking energy: -25.086 Base-Backbone interact. energy: -0.019 local terms energy: -40.363858 where: bonds (distance) C4'-P energy: -10.779 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -10.806 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -2.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -188.025844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.025844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.025844 (E_RNA) where: Base-Base interactions energy: -125.182 where: short stacking energy: -50.893 Base-Backbone interact. energy: -0.700 local terms energy: -62.143589 where: bonds (distance) C4'-P energy: -12.128 bonds (distance) P-C4' energy: -10.908 flat angles C4'-P-C4' energy: -12.170 flat angles P-C4'-P energy: -8.748 tors. eta vs tors. theta energy: -18.190 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: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -186.256980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.256980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.256980 (E_RNA) where: Base-Base interactions energy: -127.356 where: short stacking energy: -43.164 Base-Backbone interact. energy: -0.064 local terms energy: -58.837038 where: bonds (distance) C4'-P energy: -13.586 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -14.141 flat angles P-C4'-P energy: -8.996 tors. eta vs tors. theta energy: -14.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -182.810545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.810545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.810545 (E_RNA) where: Base-Base interactions energy: -124.506 where: short stacking energy: -52.005 Base-Backbone interact. energy: -0.145 local terms energy: -58.159791 where: bonds (distance) C4'-P energy: -9.458 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -12.509 flat angles P-C4'-P energy: -6.869 tors. eta vs tors. theta energy: -15.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -186.356080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.356080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.356080 (E_RNA) where: Base-Base interactions energy: -123.431 where: short stacking energy: -51.932 Base-Backbone interact. energy: -0.099 local terms energy: -62.826030 where: bonds (distance) C4'-P energy: -14.803 bonds (distance) P-C4' energy: -12.145 flat angles C4'-P-C4' energy: -12.990 flat angles P-C4'-P energy: -7.390 tors. eta vs tors. theta energy: -15.498 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: 187 Temperature: 1.100000 Total energy: -180.121955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.121955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.121955 (E_RNA) where: Base-Base interactions energy: -127.013 where: short stacking energy: -52.169 Base-Backbone interact. energy: -0.004 local terms energy: -53.104340 where: bonds (distance) C4'-P energy: -9.645 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -12.335 flat angles P-C4'-P energy: -6.336 tors. eta vs tors. theta energy: -12.630 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: 5 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -169.749549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.749549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.749549 (E_RNA) where: Base-Base interactions energy: -119.884 where: short stacking energy: -45.944 Base-Backbone interact. energy: -0.019 local terms energy: -49.846324 where: bonds (distance) C4'-P energy: -8.702 bonds (distance) P-C4' energy: -11.644 flat angles C4'-P-C4' energy: -10.108 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -13.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -177.582312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.582312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.582312 (E_RNA) where: Base-Base interactions energy: -121.430 where: short stacking energy: -48.127 Base-Backbone interact. energy: -0.030 local terms energy: -56.121884 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -11.976 flat angles C4'-P-C4' energy: -12.031 flat angles P-C4'-P energy: -8.121 tors. eta vs tors. theta energy: -10.301 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: 1 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -76.264780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.264780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.264780 (E_RNA) where: Base-Base interactions energy: -28.639 where: short stacking energy: -25.458 Base-Backbone interact. energy: -0.109 local terms energy: -47.515947 where: bonds (distance) C4'-P energy: -13.308 bonds (distance) P-C4' energy: -11.808 flat angles C4'-P-C4' energy: -10.973 flat angles P-C4'-P energy: -6.340 tors. eta vs tors. theta energy: -5.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -67.787492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.787492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.787492 (E_RNA) where: Base-Base interactions energy: -24.483 where: short stacking energy: -24.483 Base-Backbone interact. energy: 0.179 local terms energy: -43.483550 where: bonds (distance) C4'-P energy: -12.128 bonds (distance) P-C4' energy: -11.243 flat angles C4'-P-C4' energy: -10.178 flat angles P-C4'-P energy: -5.107 tors. eta vs tors. theta energy: -4.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -60.676940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.676940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.676940 (E_RNA) where: Base-Base interactions energy: -22.710 where: short stacking energy: -18.634 Base-Backbone interact. energy: -0.096 local terms energy: -37.870945 where: bonds (distance) C4'-P energy: -12.486 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -8.272 flat angles P-C4'-P energy: -7.011 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -191.378323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.378323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.378323 (E_RNA) where: Base-Base interactions energy: -127.707 where: short stacking energy: -48.627 Base-Backbone interact. energy: -0.111 local terms energy: -63.560306 where: bonds (distance) C4'-P energy: -13.317 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -14.748 flat angles P-C4'-P energy: -6.281 tors. eta vs tors. theta energy: -14.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -196.584124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.584124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.584124 (E_RNA) where: Base-Base interactions energy: -133.783 where: short stacking energy: -53.928 Base-Backbone interact. energy: -1.311 local terms energy: -61.489710 where: bonds (distance) C4'-P energy: -10.752 bonds (distance) P-C4' energy: -13.628 flat angles C4'-P-C4' energy: -14.710 flat angles P-C4'-P energy: -8.256 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: 3, replica: 9 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -186.332154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.332154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.332154 (E_RNA) where: Base-Base interactions energy: -125.585 where: short stacking energy: -48.076 Base-Backbone interact. energy: -0.314 local terms energy: -60.432330 where: bonds (distance) C4'-P energy: -12.137 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -15.098 flat angles P-C4'-P energy: -8.291 tors. eta vs tors. theta energy: -11.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -174.364930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.364930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.364930 (E_RNA) where: Base-Base interactions energy: -116.154 where: short stacking energy: -49.977 Base-Backbone interact. energy: -0.027 local terms energy: -58.184228 where: bonds (distance) C4'-P energy: -10.734 bonds (distance) P-C4' energy: -11.963 flat angles C4'-P-C4' energy: -13.149 flat angles P-C4'-P energy: -8.830 tors. eta vs tors. theta energy: -13.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -168.032804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.032804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.032804 (E_RNA) where: Base-Base interactions energy: -112.738 where: short stacking energy: -46.443 Base-Backbone interact. energy: -0.027 local terms energy: -55.267722 where: bonds (distance) C4'-P energy: -13.345 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -8.913 flat angles P-C4'-P energy: -8.909 tors. eta vs tors. theta energy: -10.236 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: 3 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -174.225066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.225066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.225066 (E_RNA) where: Base-Base interactions energy: -114.282 where: short stacking energy: -45.527 Base-Backbone interact. energy: -0.252 local terms energy: -59.690990 where: bonds (distance) C4'-P energy: -11.120 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -13.748 flat angles P-C4'-P energy: -9.360 tors. eta vs tors. theta energy: -12.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -172.088529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.088529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.088529 (E_RNA) where: Base-Base interactions energy: -115.508 where: short stacking energy: -44.943 Base-Backbone interact. energy: -0.288 local terms energy: -56.292951 where: bonds (distance) C4'-P energy: -11.081 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -12.630 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -14.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -70.665673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.665673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.665673 (E_RNA) where: Base-Base interactions energy: -31.911 where: short stacking energy: -12.682 Base-Backbone interact. energy: 0.007 local terms energy: -38.761305 where: bonds (distance) C4'-P energy: -12.269 bonds (distance) P-C4' energy: -10.905 flat angles C4'-P-C4' energy: -8.512 flat angles P-C4'-P energy: -5.306 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: 9, replica: 8 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -76.723479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.723479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.723479 (E_RNA) where: Base-Base interactions energy: -26.337 where: short stacking energy: -26.337 Base-Backbone interact. energy: 0.488 local terms energy: -50.874042 where: bonds (distance) C4'-P energy: -13.081 bonds (distance) P-C4' energy: -13.100 flat angles C4'-P-C4' energy: -10.200 flat angles P-C4'-P energy: -8.131 tors. eta vs tors. theta energy: -6.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -64.572814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.572814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.572814 (E_RNA) where: Base-Base interactions energy: -27.579 where: short stacking energy: -27.579 Base-Backbone interact. energy: -0.262 local terms energy: -36.731361 where: bonds (distance) C4'-P energy: -10.419 bonds (distance) P-C4' energy: -5.708 flat angles C4'-P-C4' energy: -10.451 flat angles P-C4'-P energy: -7.990 tors. eta vs tors. theta energy: -2.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -191.470446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.470446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.470446 (E_RNA) where: Base-Base interactions energy: -132.379 where: short stacking energy: -45.749 Base-Backbone interact. energy: -0.619 local terms energy: -58.472846 where: bonds (distance) C4'-P energy: -14.269 bonds (distance) P-C4' energy: -10.760 flat angles C4'-P-C4' energy: -9.548 flat angles P-C4'-P energy: -8.600 tors. eta vs tors. theta energy: -15.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -185.566846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.566846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.566846 (E_RNA) where: Base-Base interactions energy: -120.536 where: short stacking energy: -48.245 Base-Backbone interact. energy: -0.207 local terms energy: -64.823488 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -14.904 flat angles C4'-P-C4' energy: -13.894 flat angles P-C4'-P energy: -8.042 tors. eta vs tors. theta energy: -14.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -185.876487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.876487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.876487 (E_RNA) where: Base-Base interactions energy: -129.149 where: short stacking energy: -49.207 Base-Backbone interact. energy: -0.629 local terms energy: -56.097749 where: bonds (distance) C4'-P energy: -12.638 bonds (distance) P-C4' energy: -11.542 flat angles C4'-P-C4' energy: -10.453 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -15.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -179.930792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.930792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.930792 (E_RNA) where: Base-Base interactions energy: -119.685 where: short stacking energy: -45.670 Base-Backbone interact. energy: -0.002 local terms energy: -60.243315 where: bonds (distance) C4'-P energy: -14.501 bonds (distance) P-C4' energy: -11.753 flat angles C4'-P-C4' energy: -13.461 flat angles P-C4'-P energy: -10.012 tors. eta vs tors. theta energy: -10.515 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: 2 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -178.732496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.732496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.732496 (E_RNA) where: Base-Base interactions energy: -122.891 where: short stacking energy: -45.814 Base-Backbone interact. energy: -0.125 local terms energy: -55.716011 where: bonds (distance) C4'-P energy: -8.239 bonds (distance) P-C4' energy: -13.445 flat angles C4'-P-C4' energy: -11.514 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -17.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -177.814752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.814752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.814752 (E_RNA) where: Base-Base interactions energy: -118.943 where: short stacking energy: -47.086 Base-Backbone interact. energy: -0.590 local terms energy: -58.281537 where: bonds (distance) C4'-P energy: -10.166 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -11.674 flat angles P-C4'-P energy: -10.777 tors. eta vs tors. theta energy: -13.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -171.285097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.285097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.285097 (E_RNA) where: Base-Base interactions energy: -110.517 where: short stacking energy: -48.428 Base-Backbone interact. energy: -0.006 local terms energy: -60.761848 where: bonds (distance) C4'-P energy: -11.727 bonds (distance) P-C4' energy: -11.426 flat angles C4'-P-C4' energy: -9.998 flat angles P-C4'-P energy: -10.463 tors. eta vs tors. theta energy: -17.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -78.635598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.635598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.635598 (E_RNA) where: Base-Base interactions energy: -28.104 where: short stacking energy: -28.104 Base-Backbone interact. energy: -0.069 local terms energy: -50.462800 where: bonds (distance) C4'-P energy: -9.286 bonds (distance) P-C4' energy: -14.520 flat angles C4'-P-C4' energy: -11.127 flat angles P-C4'-P energy: -8.095 tors. eta vs tors. theta energy: -7.435 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: 8 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -67.929274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.929274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.929274 (E_RNA) where: Base-Base interactions energy: -26.822 where: short stacking energy: -23.506 Base-Backbone interact. energy: -0.083 local terms energy: -41.024613 where: bonds (distance) C4'-P energy: -10.220 bonds (distance) P-C4' energy: -10.315 flat angles C4'-P-C4' energy: -11.097 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -6.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -75.825159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.825159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.825159 (E_RNA) where: Base-Base interactions energy: -39.504 where: short stacking energy: -20.717 Base-Backbone interact. energy: 0.978 local terms energy: -37.298720 where: bonds (distance) C4'-P energy: -10.662 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -6.890 flat angles P-C4'-P energy: -7.159 tors. eta vs tors. theta energy: -0.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -189.304803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.304803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.304803 (E_RNA) where: Base-Base interactions energy: -128.076 where: short stacking energy: -52.416 Base-Backbone interact. energy: -0.000 local terms energy: -61.228972 where: bonds (distance) C4'-P energy: -11.856 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -10.954 flat angles P-C4'-P energy: -10.304 tors. eta vs tors. theta energy: -14.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -189.365097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.365097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.365097 (E_RNA) where: Base-Base interactions energy: -124.946 where: short stacking energy: -56.635 Base-Backbone interact. energy: -0.670 local terms energy: -63.749333 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -14.141 flat angles P-C4'-P energy: -5.779 tors. eta vs tors. theta energy: -16.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -178.295708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.295708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.295708 (E_RNA) where: Base-Base interactions energy: -126.825 where: short stacking energy: -50.337 Base-Backbone interact. energy: -0.127 local terms energy: -51.344164 where: bonds (distance) C4'-P energy: -8.444 bonds (distance) P-C4' energy: -8.828 flat angles C4'-P-C4' energy: -11.994 flat angles P-C4'-P energy: -7.538 tors. eta vs tors. theta energy: -14.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -188.862577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.862577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.862577 (E_RNA) where: Base-Base interactions energy: -129.437 where: short stacking energy: -57.016 Base-Backbone interact. energy: -0.101 local terms energy: -59.324634 where: bonds (distance) C4'-P energy: -13.155 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -12.665 flat angles P-C4'-P energy: -6.541 tors. eta vs tors. theta energy: -13.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -177.716549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.716549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.716549 (E_RNA) where: Base-Base interactions energy: -122.420 where: short stacking energy: -42.217 Base-Backbone interact. energy: -0.111 local terms energy: -55.185772 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -12.152 flat angles P-C4'-P energy: -7.282 tors. eta vs tors. theta energy: -10.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -167.729890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.729890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.729890 (E_RNA) where: Base-Base interactions energy: -111.414 where: short stacking energy: -39.835 Base-Backbone interact. energy: -0.646 local terms energy: -55.669894 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -9.742 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -10.487 tors. eta vs tors. theta energy: -11.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -150.889566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.889566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.889566 (E_RNA) where: Base-Base interactions energy: -102.130 where: short stacking energy: -42.854 Base-Backbone interact. energy: -0.110 local terms energy: -48.649010 where: bonds (distance) C4'-P energy: -10.291 bonds (distance) P-C4' energy: -9.768 flat angles C4'-P-C4' energy: -9.256 flat angles P-C4'-P energy: -6.510 tors. eta vs tors. theta energy: -12.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -73.893724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.893724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.893724 (E_RNA) where: Base-Base interactions energy: -31.438 where: short stacking energy: -26.911 Base-Backbone interact. energy: -1.001 local terms energy: -41.454613 where: bonds (distance) C4'-P energy: -8.408 bonds (distance) P-C4' energy: -11.173 flat angles C4'-P-C4' energy: -12.596 flat angles P-C4'-P energy: -6.082 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -64.810636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.810636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.810636 (E_RNA) where: Base-Base interactions energy: -32.688 where: short stacking energy: -24.009 Base-Backbone interact. energy: -0.535 local terms energy: -31.587882 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -11.190 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: 0.047 tors. eta vs tors. theta energy: -2.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -65.290114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.290114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.290114 (E_RNA) where: Base-Base interactions energy: -21.055 where: short stacking energy: -21.055 Base-Backbone interact. energy: -0.070 local terms energy: -44.165520 where: bonds (distance) C4'-P energy: -10.469 bonds (distance) P-C4' energy: -8.592 flat angles C4'-P-C4' energy: -11.333 flat angles P-C4'-P energy: -7.265 tors. eta vs tors. theta energy: -6.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -190.003829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.003829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.003829 (E_RNA) where: Base-Base interactions energy: -128.007 where: short stacking energy: -53.099 Base-Backbone interact. energy: -1.422 local terms energy: -60.574501 where: bonds (distance) C4'-P energy: -11.558 bonds (distance) P-C4' energy: -13.653 flat angles C4'-P-C4' energy: -12.131 flat angles P-C4'-P energy: -7.844 tors. eta vs tors. theta energy: -15.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -180.577322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.577322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.577322 (E_RNA) where: Base-Base interactions energy: -123.962 where: short stacking energy: -48.179 Base-Backbone interact. energy: -0.415 local terms energy: -56.200698 where: bonds (distance) C4'-P energy: -12.311 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -9.278 flat angles P-C4'-P energy: -7.670 tors. eta vs tors. theta energy: -12.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -180.595125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.595125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.595125 (E_RNA) where: Base-Base interactions energy: -120.048 where: short stacking energy: -46.257 Base-Backbone interact. energy: -0.002 local terms energy: -60.545275 where: bonds (distance) C4'-P energy: -9.554 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -11.414 flat angles P-C4'-P energy: -9.602 tors. eta vs tors. theta energy: -14.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -180.846606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.846606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.846606 (E_RNA) where: Base-Base interactions energy: -117.469 where: short stacking energy: -45.492 Base-Backbone interact. energy: -1.335 local terms energy: -62.042741 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -11.567 flat angles P-C4'-P energy: -10.514 tors. eta vs tors. theta energy: -13.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -176.460584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.460584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.460584 (E_RNA) where: Base-Base interactions energy: -118.007 where: short stacking energy: -46.479 Base-Backbone interact. energy: -0.395 local terms energy: -58.057855 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -12.011 flat angles C4'-P-C4' energy: -15.298 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -14.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -172.823017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.823017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.823017 (E_RNA) where: Base-Base interactions energy: -115.244 where: short stacking energy: -48.461 Base-Backbone interact. energy: -0.000 local terms energy: -57.578672 where: bonds (distance) C4'-P energy: -11.371 bonds (distance) P-C4' energy: -10.914 flat angles C4'-P-C4' energy: -14.982 flat angles P-C4'-P energy: -6.533 tors. eta vs tors. theta energy: -13.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -171.783530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.783530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.783530 (E_RNA) where: Base-Base interactions energy: -114.253 where: short stacking energy: -42.670 Base-Backbone interact. energy: -0.869 local terms energy: -56.661532 where: bonds (distance) C4'-P energy: -11.707 bonds (distance) P-C4' energy: -10.113 flat angles C4'-P-C4' energy: -12.092 flat angles P-C4'-P energy: -10.949 tors. eta vs tors. theta energy: -11.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -74.696347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.696347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.696347 (E_RNA) where: Base-Base interactions energy: -27.125 where: short stacking energy: -27.125 Base-Backbone interact. energy: -0.012 local terms energy: -47.559698 where: bonds (distance) C4'-P energy: -13.119 bonds (distance) P-C4' energy: -11.532 flat angles C4'-P-C4' energy: -9.612 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: -5.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -69.789418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.789418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.789418 (E_RNA) where: Base-Base interactions energy: -26.001 where: short stacking energy: -16.795 Base-Backbone interact. energy: -0.293 local terms energy: -43.495412 where: bonds (distance) C4'-P energy: -11.818 bonds (distance) P-C4' energy: -10.183 flat angles C4'-P-C4' energy: -14.906 flat angles P-C4'-P energy: -8.526 tors. eta vs tors. theta energy: 1.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -102.718271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.718271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.718271 (E_RNA) where: Base-Base interactions energy: -63.344 where: short stacking energy: -23.288 Base-Backbone interact. energy: -0.325 local terms energy: -39.048934 where: bonds (distance) C4'-P energy: -10.047 bonds (distance) P-C4' energy: -11.587 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -7.473 tors. eta vs tors. theta energy: -3.376 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: 6 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -190.736790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.736790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.736790 (E_RNA) where: Base-Base interactions energy: -128.204 where: short stacking energy: -50.316 Base-Backbone interact. energy: 0.441 local terms energy: -62.974134 where: bonds (distance) C4'-P energy: -12.100 bonds (distance) P-C4' energy: -9.931 flat angles C4'-P-C4' energy: -13.835 flat angles P-C4'-P energy: -8.943 tors. eta vs tors. theta energy: -18.166 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: 5 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -181.011038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.011038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.011038 (E_RNA) where: Base-Base interactions energy: -120.344 where: short stacking energy: -48.168 Base-Backbone interact. energy: -0.112 local terms energy: -60.555426 where: bonds (distance) C4'-P energy: -10.743 bonds (distance) P-C4' energy: -13.432 flat angles C4'-P-C4' energy: -12.268 flat angles P-C4'-P energy: -9.726 tors. eta vs tors. theta energy: -14.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -179.873668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.873668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.873668 (E_RNA) where: Base-Base interactions energy: -122.881 where: short stacking energy: -47.445 Base-Backbone interact. energy: -0.002 local terms energy: -56.991061 where: bonds (distance) C4'-P energy: -10.451 bonds (distance) P-C4' energy: -11.573 flat angles C4'-P-C4' energy: -13.170 flat angles P-C4'-P energy: -7.479 tors. eta vs tors. theta energy: -14.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -184.160895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.160895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.160895 (E_RNA) where: Base-Base interactions energy: -123.840 where: short stacking energy: -51.106 Base-Backbone interact. energy: -0.159 local terms energy: -60.162570 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -12.088 flat angles P-C4'-P energy: -9.891 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: 5, replica: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -185.834596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.834596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.834596 (E_RNA) where: Base-Base interactions energy: -126.136 where: short stacking energy: -45.526 Base-Backbone interact. energy: -0.393 local terms energy: -59.305800 where: bonds (distance) C4'-P energy: -9.992 bonds (distance) P-C4' energy: -11.098 flat angles C4'-P-C4' energy: -14.073 flat angles P-C4'-P energy: -9.491 tors. eta vs tors. theta energy: -14.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -177.730110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.730110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.730110 (E_RNA) where: Base-Base interactions energy: -123.962 where: short stacking energy: -49.577 Base-Backbone interact. energy: -0.019 local terms energy: -53.749587 where: bonds (distance) C4'-P energy: -10.308 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -13.117 flat angles P-C4'-P energy: -8.953 tors. eta vs tors. theta energy: -14.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -171.586434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.586434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.586434 (E_RNA) where: Base-Base interactions energy: -113.301 where: short stacking energy: -41.796 Base-Backbone interact. energy: -0.462 local terms energy: -57.823553 where: bonds (distance) C4'-P energy: -8.879 bonds (distance) P-C4' energy: -14.146 flat angles C4'-P-C4' energy: -11.839 flat angles P-C4'-P energy: -9.871 tors. eta vs tors. theta energy: -13.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -95.296732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.296732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.296732 (E_RNA) where: Base-Base interactions energy: -47.272 where: short stacking energy: -25.950 Base-Backbone interact. energy: -0.168 local terms energy: -47.856713 where: bonds (distance) C4'-P energy: -11.196 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -9.957 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -4.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -129.414168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.414168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.414168 (E_RNA) where: Base-Base interactions energy: -83.201 where: short stacking energy: -29.888 Base-Backbone interact. energy: -0.269 local terms energy: -45.943727 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -11.896 flat angles P-C4'-P energy: -5.340 tors. eta vs tors. theta energy: -4.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -67.284399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.284399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.284399 (E_RNA) where: Base-Base interactions energy: -26.353 where: short stacking energy: -26.167 Base-Backbone interact. energy: -0.402 local terms energy: -40.529030 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -5.635 flat angles P-C4'-P energy: -6.979 tors. eta vs tors. theta energy: -7.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -187.142069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.142069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.142069 (E_RNA) where: Base-Base interactions energy: -130.183 where: short stacking energy: -53.152 Base-Backbone interact. energy: -0.119 local terms energy: -56.839432 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -12.037 flat angles C4'-P-C4' energy: -11.127 flat angles P-C4'-P energy: -9.010 tors. eta vs tors. theta energy: -17.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -184.031764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.031764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.031764 (E_RNA) where: Base-Base interactions energy: -118.307 where: short stacking energy: -51.235 Base-Backbone interact. energy: -0.217 local terms energy: -65.507953 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -13.741 flat angles P-C4'-P energy: -8.343 tors. eta vs tors. theta energy: -16.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -182.620020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.620020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.620020 (E_RNA) where: Base-Base interactions energy: -124.599 where: short stacking energy: -48.133 Base-Backbone interact. energy: -0.832 local terms energy: -57.189449 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -13.956 flat angles C4'-P-C4' energy: -9.019 flat angles P-C4'-P energy: -7.054 tors. eta vs tors. theta energy: -13.814 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: 193 Temperature: 1.050000 Total energy: -180.949016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.949016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.949016 (E_RNA) where: Base-Base interactions energy: -122.714 where: short stacking energy: -46.963 Base-Backbone interact. energy: -0.090 local terms energy: -58.145951 where: bonds (distance) C4'-P energy: -10.776 bonds (distance) P-C4' energy: -9.619 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: -9.267 tors. eta vs tors. theta energy: -15.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -172.506958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.506958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.506958 (E_RNA) where: Base-Base interactions energy: -116.300 where: short stacking energy: -45.767 Base-Backbone interact. energy: -0.000 local terms energy: -56.206921 where: bonds (distance) C4'-P energy: -12.092 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -9.855 flat angles P-C4'-P energy: -7.485 tors. eta vs tors. theta energy: -13.884 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: 9 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -178.919470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.919470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.919470 (E_RNA) where: Base-Base interactions energy: -117.287 where: short stacking energy: -49.291 Base-Backbone interact. energy: -0.003 local terms energy: -61.628786 where: bonds (distance) C4'-P energy: -13.520 bonds (distance) P-C4' energy: -9.060 flat angles C4'-P-C4' energy: -12.007 flat angles P-C4'-P energy: -10.763 tors. eta vs tors. theta energy: -16.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -162.283667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.283667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.283667 (E_RNA) where: Base-Base interactions energy: -110.849 where: short stacking energy: -43.770 Base-Backbone interact. energy: 0.737 local terms energy: -52.171638 where: bonds (distance) C4'-P energy: -9.231 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -9.343 flat angles P-C4'-P energy: -8.959 tors. eta vs tors. theta energy: -11.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -159.847339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.847339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.847339 (E_RNA) where: Base-Base interactions energy: -114.030 where: short stacking energy: -42.815 Base-Backbone interact. energy: -0.009 local terms energy: -45.808366 where: bonds (distance) C4'-P energy: -11.028 bonds (distance) P-C4' energy: -11.289 flat angles C4'-P-C4' energy: -10.254 flat angles P-C4'-P energy: -3.686 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: 9, replica: 7 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -81.592636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.592636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.592636 (E_RNA) where: Base-Base interactions energy: -43.766 where: short stacking energy: -25.720 Base-Backbone interact. energy: -0.046 local terms energy: -37.780493 where: bonds (distance) C4'-P energy: -7.996 bonds (distance) P-C4' energy: -10.334 flat angles C4'-P-C4' energy: -8.311 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -6.912 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: 1 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -59.052163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.052163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.052163 (E_RNA) where: Base-Base interactions energy: -17.701 where: short stacking energy: -17.701 Base-Backbone interact. energy: -0.118 local terms energy: -41.233329 where: bonds (distance) C4'-P energy: -12.601 bonds (distance) P-C4' energy: -11.929 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -8.343 tors. eta vs tors. theta energy: -1.256 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: 10 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -193.895558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.895558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.895558 (E_RNA) where: Base-Base interactions energy: -132.581 where: short stacking energy: -56.115 Base-Backbone interact. energy: -0.137 local terms energy: -61.177991 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -11.463 flat angles C4'-P-C4' energy: -10.227 flat angles P-C4'-P energy: -10.984 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: 2, replica: 6 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -191.524332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.524332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.524332 (E_RNA) where: Base-Base interactions energy: -136.002 where: short stacking energy: -49.115 Base-Backbone interact. energy: -0.001 local terms energy: -55.521646 where: bonds (distance) C4'-P energy: -10.912 bonds (distance) P-C4' energy: -10.230 flat angles C4'-P-C4' energy: -11.625 flat angles P-C4'-P energy: -6.232 tors. eta vs tors. theta energy: -16.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -175.897436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.897436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.897436 (E_RNA) where: Base-Base interactions energy: -118.840 where: short stacking energy: -54.437 Base-Backbone interact. energy: -0.228 local terms energy: -56.828849 where: bonds (distance) C4'-P energy: -13.487 bonds (distance) P-C4' energy: -10.169 flat angles C4'-P-C4' energy: -10.660 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -16.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -182.884418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.884418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.884418 (E_RNA) where: Base-Base interactions energy: -124.399 where: short stacking energy: -53.080 Base-Backbone interact. energy: -0.009 local terms energy: -58.476396 where: bonds (distance) C4'-P energy: -11.462 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -12.413 flat angles P-C4'-P energy: -6.766 tors. eta vs tors. theta energy: -14.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -175.058890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.058890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.058890 (E_RNA) where: Base-Base interactions energy: -118.045 where: short stacking energy: -49.960 Base-Backbone interact. energy: -0.131 local terms energy: -56.882821 where: bonds (distance) C4'-P energy: -12.816 bonds (distance) P-C4' energy: -11.012 flat angles C4'-P-C4' energy: -11.410 flat angles P-C4'-P energy: -6.704 tors. eta vs tors. theta energy: -14.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -172.950111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.950111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.950111 (E_RNA) where: Base-Base interactions energy: -118.392 where: short stacking energy: -43.482 Base-Backbone interact. energy: -0.004 local terms energy: -54.554151 where: bonds (distance) C4'-P energy: -9.525 bonds (distance) P-C4' energy: -12.113 flat angles C4'-P-C4' energy: -11.609 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -16.757 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: 8 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -168.874636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.874636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.874636 (E_RNA) where: Base-Base interactions energy: -106.736 where: short stacking energy: -45.928 Base-Backbone interact. energy: -0.131 local terms energy: -62.007748 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -12.992 flat angles C4'-P-C4' energy: -13.177 flat angles P-C4'-P energy: -7.658 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: 8, replica: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -166.242181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.242181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.242181 (E_RNA) where: Base-Base interactions energy: -115.099 where: short stacking energy: -47.300 Base-Backbone interact. energy: -0.004 local terms energy: -51.139436 where: bonds (distance) C4'-P energy: -12.563 bonds (distance) P-C4' energy: -8.999 flat angles C4'-P-C4' energy: -13.861 flat angles P-C4'-P energy: -6.756 tors. eta vs tors. theta energy: -8.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -66.292092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.292092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.292092 (E_RNA) where: Base-Base interactions energy: -21.436 where: short stacking energy: -21.436 Base-Backbone interact. energy: -0.047 local terms energy: -44.809725 where: bonds (distance) C4'-P energy: -10.076 bonds (distance) P-C4' energy: -11.567 flat angles C4'-P-C4' energy: -8.100 flat angles P-C4'-P energy: -10.598 tors. eta vs tors. theta energy: -4.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -71.978096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.978096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.978096 (E_RNA) where: Base-Base interactions energy: -36.710 where: short stacking energy: -18.156 Base-Backbone interact. energy: -0.207 local terms energy: -35.061142 where: bonds (distance) C4'-P energy: -10.110 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -9.621 flat angles P-C4'-P energy: -6.641 tors. eta vs tors. theta energy: -1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -185.074839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.074839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.074839 (E_RNA) where: Base-Base interactions energy: -119.659 where: short stacking energy: -47.075 Base-Backbone interact. energy: -0.072 local terms energy: -65.343788 where: bonds (distance) C4'-P energy: -13.442 bonds (distance) P-C4' energy: -14.615 flat angles C4'-P-C4' energy: -13.589 flat angles P-C4'-P energy: -8.898 tors. eta vs tors. theta energy: -14.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -185.844606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.844606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.844606 (E_RNA) where: Base-Base interactions energy: -119.591 where: short stacking energy: -50.724 Base-Backbone interact. energy: -0.002 local terms energy: -66.251043 where: bonds (distance) C4'-P energy: -11.933 bonds (distance) P-C4' energy: -15.147 flat angles C4'-P-C4' energy: -13.499 flat angles P-C4'-P energy: -9.613 tors. eta vs tors. theta energy: -16.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -185.085879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.085879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.085879 (E_RNA) where: Base-Base interactions energy: -128.185 where: short stacking energy: -45.676 Base-Backbone interact. energy: -0.001 local terms energy: -56.899784 where: bonds (distance) C4'-P energy: -11.099 bonds (distance) P-C4' energy: -11.107 flat angles C4'-P-C4' energy: -9.704 flat angles P-C4'-P energy: -9.815 tors. eta vs tors. theta energy: -15.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -176.539463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.539463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.539463 (E_RNA) where: Base-Base interactions energy: -123.619 where: short stacking energy: -50.354 Base-Backbone interact. energy: -0.021 local terms energy: -52.899743 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -11.830 flat angles C4'-P-C4' energy: -11.488 flat angles P-C4'-P energy: -6.423 tors. eta vs tors. theta energy: -15.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -176.141254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.141254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.141254 (E_RNA) where: Base-Base interactions energy: -124.336 where: short stacking energy: -50.758 Base-Backbone interact. energy: -0.071 local terms energy: -51.734546 where: bonds (distance) C4'-P energy: -6.553 bonds (distance) P-C4' energy: -10.883 flat angles C4'-P-C4' energy: -12.808 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: -15.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -170.175961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.175961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.175961 (E_RNA) where: Base-Base interactions energy: -113.397 where: short stacking energy: -48.996 Base-Backbone interact. energy: -0.001 local terms energy: -56.777868 where: bonds (distance) C4'-P energy: -8.668 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -8.532 tors. eta vs tors. theta energy: -13.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -171.850944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.850944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.850944 (E_RNA) where: Base-Base interactions energy: -117.768 where: short stacking energy: -46.338 Base-Backbone interact. energy: -0.240 local terms energy: -53.842682 where: bonds (distance) C4'-P energy: -7.984 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -13.049 flat angles P-C4'-P energy: -5.075 tors. eta vs tors. theta energy: -15.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -166.548300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.548300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.548300 (E_RNA) where: Base-Base interactions energy: -117.286 where: short stacking energy: -44.814 Base-Backbone interact. energy: -0.042 local terms energy: -49.220283 where: bonds (distance) C4'-P energy: -8.155 bonds (distance) P-C4' energy: -8.624 flat angles C4'-P-C4' energy: -14.756 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -12.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -65.235830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.235830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.235830 (E_RNA) where: Base-Base interactions energy: -19.753 where: short stacking energy: -19.453 Base-Backbone interact. energy: -0.154 local terms energy: -45.328967 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -11.894 flat angles C4'-P-C4' energy: -14.232 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -7.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -66.233097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.233097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.233097 (E_RNA) where: Base-Base interactions energy: -26.020 where: short stacking energy: -21.584 Base-Backbone interact. energy: -0.003 local terms energy: -40.209561 where: bonds (distance) C4'-P energy: -11.571 bonds (distance) P-C4' energy: -10.381 flat angles C4'-P-C4' energy: -8.899 flat angles P-C4'-P energy: -7.418 tors. eta vs tors. theta energy: -1.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -190.750598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.750598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.750598 (E_RNA) where: Base-Base interactions energy: -130.282 where: short stacking energy: -52.545 Base-Backbone interact. energy: -0.341 local terms energy: -60.127099 where: bonds (distance) C4'-P energy: -13.566 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -11.954 flat angles P-C4'-P energy: -6.340 tors. eta vs tors. theta energy: -13.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -185.904414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.904414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.904414 (E_RNA) where: Base-Base interactions energy: -124.863 where: short stacking energy: -54.287 Base-Backbone interact. energy: -0.002 local terms energy: -61.039218 where: bonds (distance) C4'-P energy: -10.212 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -12.270 flat angles P-C4'-P energy: -10.220 tors. eta vs tors. theta energy: -14.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -183.004014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.004014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.004014 (E_RNA) where: Base-Base interactions energy: -117.912 where: short stacking energy: -52.238 Base-Backbone interact. energy: -0.362 local terms energy: -64.729800 where: bonds (distance) C4'-P energy: -11.490 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -13.663 flat angles P-C4'-P energy: -10.167 tors. eta vs tors. theta energy: -15.732 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: 6 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -178.102371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.102371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.102371 (E_RNA) where: Base-Base interactions energy: -122.496 where: short stacking energy: -53.699 Base-Backbone interact. energy: -0.362 local terms energy: -55.243783 where: bonds (distance) C4'-P energy: -4.404 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -12.813 flat angles P-C4'-P energy: -8.372 tors. eta vs tors. theta energy: -15.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -174.452488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.452488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.452488 (E_RNA) where: Base-Base interactions energy: -124.506 where: short stacking energy: -47.661 Base-Backbone interact. energy: -1.337 local terms energy: -48.609387 where: bonds (distance) C4'-P energy: -8.187 bonds (distance) P-C4' energy: -10.092 flat angles C4'-P-C4' energy: -12.046 flat angles P-C4'-P energy: -6.163 tors. eta vs tors. theta energy: -12.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -169.484405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.484405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.484405 (E_RNA) where: Base-Base interactions energy: -114.886 where: short stacking energy: -45.757 Base-Backbone interact. energy: -0.111 local terms energy: -54.486949 where: bonds (distance) C4'-P energy: -11.579 bonds (distance) P-C4' energy: -8.856 flat angles C4'-P-C4' energy: -12.775 flat angles P-C4'-P energy: -7.111 tors. eta vs tors. theta energy: -14.166 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: 2 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -159.970253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.970253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.970253 (E_RNA) where: Base-Base interactions energy: -112.638 where: short stacking energy: -43.965 Base-Backbone interact. energy: -0.073 local terms energy: -47.259593 where: bonds (distance) C4'-P energy: -6.413 bonds (distance) P-C4' energy: -13.466 flat angles C4'-P-C4' energy: -11.751 flat angles P-C4'-P energy: -7.234 tors. eta vs tors. theta energy: -8.397 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: 9 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -168.886263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.886263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.886263 (E_RNA) where: Base-Base interactions energy: -122.108 where: short stacking energy: -52.152 Base-Backbone interact. energy: -0.176 local terms energy: -46.602292 where: bonds (distance) C4'-P energy: -9.131 bonds (distance) P-C4' energy: -8.882 flat angles C4'-P-C4' energy: -9.337 flat angles P-C4'-P energy: -6.647 tors. eta vs tors. theta energy: -12.604 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: 196 Temperature: 1.300000 Total energy: -63.900822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.900822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.900822 (E_RNA) where: Base-Base interactions energy: -23.640 where: short stacking energy: -14.785 Base-Backbone interact. energy: -0.161 local terms energy: -40.100462 where: bonds (distance) C4'-P energy: -7.993 bonds (distance) P-C4' energy: -13.398 flat angles C4'-P-C4' energy: -11.387 flat angles P-C4'-P energy: -8.463 tors. eta vs tors. theta energy: 1.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -60.699251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.699251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.699251 (E_RNA) where: Base-Base interactions energy: -23.955 where: short stacking energy: -19.712 Base-Backbone interact. energy: -0.014 local terms energy: -36.730322 where: bonds (distance) C4'-P energy: -8.346 bonds (distance) P-C4' energy: -9.738 flat angles C4'-P-C4' energy: -9.963 flat angles P-C4'-P energy: -7.012 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -189.349688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.349688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.349688 (E_RNA) where: Base-Base interactions energy: -122.151 where: short stacking energy: -48.433 Base-Backbone interact. energy: -0.934 local terms energy: -66.265152 where: bonds (distance) C4'-P energy: -14.037 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -13.606 flat angles P-C4'-P energy: -10.208 tors. eta vs tors. theta energy: -15.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -183.952658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.952658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.952658 (E_RNA) where: Base-Base interactions energy: -121.505 where: short stacking energy: -48.543 Base-Backbone interact. energy: -0.034 local terms energy: -62.413649 where: bonds (distance) C4'-P energy: -13.657 bonds (distance) P-C4' energy: -12.965 flat angles C4'-P-C4' energy: -13.224 flat angles P-C4'-P energy: -6.579 tors. eta vs tors. theta energy: -15.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -187.984310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.984310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.984310 (E_RNA) where: Base-Base interactions energy: -128.902 where: short stacking energy: -53.212 Base-Backbone interact. energy: -0.004 local terms energy: -59.077511 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -10.928 flat angles C4'-P-C4' energy: -12.817 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -17.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -176.934274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.934274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.934274 (E_RNA) where: Base-Base interactions energy: -117.497 where: short stacking energy: -44.533 Base-Backbone interact. energy: -0.091 local terms energy: -59.346506 where: bonds (distance) C4'-P energy: -13.451 bonds (distance) P-C4' energy: -12.859 flat angles C4'-P-C4' energy: -11.145 flat angles P-C4'-P energy: -10.765 tors. eta vs tors. theta energy: -11.127 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: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -172.030887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.030887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.030887 (E_RNA) where: Base-Base interactions energy: -112.518 where: short stacking energy: -47.791 Base-Backbone interact. energy: -0.323 local terms energy: -59.189492 where: bonds (distance) C4'-P energy: -8.394 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -13.619 flat angles P-C4'-P energy: -11.469 tors. eta vs tors. theta energy: -12.563 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: 6, replica: 2 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -174.826129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.826129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.826129 (E_RNA) where: Base-Base interactions energy: -122.697 where: short stacking energy: -44.734 Base-Backbone interact. energy: -0.348 local terms energy: -51.780845 where: bonds (distance) C4'-P energy: -11.941 bonds (distance) P-C4' energy: -8.874 flat angles C4'-P-C4' energy: -12.226 flat angles P-C4'-P energy: -5.491 tors. eta vs tors. theta energy: -13.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -161.109948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.109948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.109948 (E_RNA) where: Base-Base interactions energy: -109.923 where: short stacking energy: -43.738 Base-Backbone interact. energy: -0.237 local terms energy: -50.950209 where: bonds (distance) C4'-P energy: -8.507 bonds (distance) P-C4' energy: -11.263 flat angles C4'-P-C4' energy: -11.036 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -15.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -160.106814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.106814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.106814 (E_RNA) where: Base-Base interactions energy: -115.132 where: short stacking energy: -45.059 Base-Backbone interact. energy: -0.103 local terms energy: -44.871873 where: bonds (distance) C4'-P energy: -8.979 bonds (distance) P-C4' energy: -10.792 flat angles C4'-P-C4' energy: -8.155 flat angles P-C4'-P energy: -6.603 tors. eta vs tors. theta energy: -10.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -69.224455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.224455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.224455 (E_RNA) where: Base-Base interactions energy: -17.085 where: short stacking energy: -14.953 Base-Backbone interact. energy: -0.114 local terms energy: -52.025631 where: bonds (distance) C4'-P energy: -11.777 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -11.605 flat angles P-C4'-P energy: -10.490 tors. eta vs tors. theta energy: -3.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -66.942995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.942995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.942995 (E_RNA) where: Base-Base interactions energy: -21.950 where: short stacking energy: -14.412 Base-Backbone interact. energy: -0.185 local terms energy: -44.807731 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -11.147 flat angles C4'-P-C4' energy: -11.170 flat angles P-C4'-P energy: -10.546 tors. eta vs tors. theta energy: 1.738 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: 5 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -190.794266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.794266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.794266 (E_RNA) where: Base-Base interactions energy: -125.288 where: short stacking energy: -48.728 Base-Backbone interact. energy: -0.379 local terms energy: -65.126350 where: bonds (distance) C4'-P energy: -14.485 bonds (distance) P-C4' energy: -13.022 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -10.471 tors. eta vs tors. theta energy: -14.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -185.637046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.637046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.637046 (E_RNA) where: Base-Base interactions energy: -124.368 where: short stacking energy: -46.447 Base-Backbone interact. energy: -0.396 local terms energy: -60.873161 where: bonds (distance) C4'-P energy: -10.938 bonds (distance) P-C4' energy: -13.065 flat angles C4'-P-C4' energy: -11.330 flat angles P-C4'-P energy: -9.745 tors. eta vs tors. theta energy: -15.795 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: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -184.594943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.594943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.594943 (E_RNA) where: Base-Base interactions energy: -124.474 where: short stacking energy: -50.199 Base-Backbone interact. energy: 2.173 local terms energy: -62.293944 where: bonds (distance) C4'-P energy: -11.599 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -12.455 flat angles P-C4'-P energy: -9.331 tors. eta vs tors. theta energy: -15.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -182.946187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.946187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.946187 (E_RNA) where: Base-Base interactions energy: -122.698 where: short stacking energy: -51.457 Base-Backbone interact. energy: -0.501 local terms energy: -59.746825 where: bonds (distance) C4'-P energy: -12.086 bonds (distance) P-C4' energy: -11.949 flat angles C4'-P-C4' energy: -13.994 flat angles P-C4'-P energy: -6.272 tors. eta vs tors. theta energy: -15.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -182.785732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.785732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.785732 (E_RNA) where: Base-Base interactions energy: -128.007 where: short stacking energy: -47.912 Base-Backbone interact. energy: 0.984 local terms energy: -55.763351 where: bonds (distance) C4'-P energy: -14.919 bonds (distance) P-C4' energy: -9.524 flat angles C4'-P-C4' energy: -10.586 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -15.645 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: 6 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -174.783674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.783674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.783674 (E_RNA) where: Base-Base interactions energy: -116.688 where: short stacking energy: -47.162 Base-Backbone interact. energy: -0.001 local terms energy: -58.094519 where: bonds (distance) C4'-P energy: -12.509 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -7.236 tors. eta vs tors. theta energy: -12.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -173.163734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.163734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.163734 (E_RNA) where: Base-Base interactions energy: -119.889 where: short stacking energy: -51.887 Base-Backbone interact. energy: -0.087 local terms energy: -53.188262 where: bonds (distance) C4'-P energy: -8.738 bonds (distance) P-C4' energy: -11.386 flat angles C4'-P-C4' energy: -11.869 flat angles P-C4'-P energy: -6.444 tors. eta vs tors. theta energy: -14.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -155.802097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.802097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.802097 (E_RNA) where: Base-Base interactions energy: -97.424 where: short stacking energy: -36.553 Base-Backbone interact. energy: -0.967 local terms energy: -57.411248 where: bonds (distance) C4'-P energy: -11.972 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -11.128 flat angles P-C4'-P energy: -8.221 tors. eta vs tors. theta energy: -11.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -68.792422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.792422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.792422 (E_RNA) where: Base-Base interactions energy: -26.938 where: short stacking energy: -22.780 Base-Backbone interact. energy: -0.001 local terms energy: -41.853295 where: bonds (distance) C4'-P energy: -13.620 bonds (distance) P-C4' energy: -10.094 flat angles C4'-P-C4' energy: -9.688 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -3.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -62.480444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.480444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.480444 (E_RNA) where: Base-Base interactions energy: -19.068 where: short stacking energy: -19.068 Base-Backbone interact. energy: -0.109 local terms energy: -43.303315 where: bonds (distance) C4'-P energy: -6.655 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -9.535 flat angles P-C4'-P energy: -8.240 tors. eta vs tors. theta energy: -4.638 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: 5 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -188.641354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.641354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.641354 (E_RNA) where: Base-Base interactions energy: -127.157 where: short stacking energy: -48.974 Base-Backbone interact. energy: -0.738 local terms energy: -60.746239 where: bonds (distance) C4'-P energy: -13.466 bonds (distance) P-C4' energy: -11.202 flat angles C4'-P-C4' energy: -11.041 flat angles P-C4'-P energy: -9.895 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: 2, replica: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -187.797233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.797233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.797233 (E_RNA) where: Base-Base interactions energy: -123.911 where: short stacking energy: -55.052 Base-Backbone interact. energy: -0.062 local terms energy: -63.824826 where: bonds (distance) C4'-P energy: -11.694 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -11.755 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -18.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -183.929485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.929485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.929485 (E_RNA) where: Base-Base interactions energy: -120.351 where: short stacking energy: -51.049 Base-Backbone interact. energy: -0.100 local terms energy: -63.478884 where: bonds (distance) C4'-P energy: -13.488 bonds (distance) P-C4' energy: -11.493 flat angles C4'-P-C4' energy: -14.173 flat angles P-C4'-P energy: -11.140 tors. eta vs tors. theta energy: -13.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -176.390754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.390754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.390754 (E_RNA) where: Base-Base interactions energy: -119.309 where: short stacking energy: -53.655 Base-Backbone interact. energy: -0.016 local terms energy: -57.066074 where: bonds (distance) C4'-P energy: -10.912 bonds (distance) P-C4' energy: -10.305 flat angles C4'-P-C4' energy: -13.563 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -13.374 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: 5, replica: 2 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -168.406503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.406503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.406503 (E_RNA) where: Base-Base interactions energy: -117.285 where: short stacking energy: -48.798 Base-Backbone interact. energy: -0.144 local terms energy: -50.977143 where: bonds (distance) C4'-P energy: -9.911 bonds (distance) P-C4' energy: -8.714 flat angles C4'-P-C4' energy: -13.785 flat angles P-C4'-P energy: -8.005 tors. eta vs tors. theta energy: -10.563 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: 6, replica: 4 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -170.670964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.670964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.670964 (E_RNA) where: Base-Base interactions energy: -114.747 where: short stacking energy: -42.505 Base-Backbone interact. energy: 0.324 local terms energy: -56.248029 where: bonds (distance) C4'-P energy: -12.974 bonds (distance) P-C4' energy: -11.760 flat angles C4'-P-C4' energy: -10.141 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -12.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -165.124087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.124087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.124087 (E_RNA) where: Base-Base interactions energy: -117.128 where: short stacking energy: -41.539 Base-Backbone interact. energy: -0.600 local terms energy: -47.396462 where: bonds (distance) C4'-P energy: -8.885 bonds (distance) P-C4' energy: -11.282 flat angles C4'-P-C4' energy: -12.651 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -10.879 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: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -169.117477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.117477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.117477 (E_RNA) where: Base-Base interactions energy: -115.959 where: short stacking energy: -39.557 Base-Backbone interact. energy: -0.032 local terms energy: -53.126913 where: bonds (distance) C4'-P energy: -9.281 bonds (distance) P-C4' energy: -9.150 flat angles C4'-P-C4' energy: -12.788 flat angles P-C4'-P energy: -6.850 tors. eta vs tors. theta energy: -15.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -65.951319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.951319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.951319 (E_RNA) where: Base-Base interactions energy: -22.306 where: short stacking energy: -22.306 Base-Backbone interact. energy: -0.041 local terms energy: -43.603540 where: bonds (distance) C4'-P energy: -10.842 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -9.113 flat angles P-C4'-P energy: -8.119 tors. eta vs tors. theta energy: -1.148 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: 199 Temperature: 1.350000 Total energy: -59.918475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.918475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.918475 (E_RNA) where: Base-Base interactions energy: -12.814 where: short stacking energy: -11.829 Base-Backbone interact. energy: -0.107 local terms energy: -46.998114 where: bonds (distance) C4'-P energy: -11.313 bonds (distance) P-C4' energy: -12.431 flat angles C4'-P-C4' energy: -10.017 flat angles P-C4'-P energy: -9.326 tors. eta vs tors. theta energy: -3.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -200.692625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.692625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.692625 (E_RNA) where: Base-Base interactions energy: -133.791 where: short stacking energy: -60.783 Base-Backbone interact. energy: -0.081 local terms energy: -66.820878 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -12.889 flat angles C4'-P-C4' energy: -13.208 flat angles P-C4'-P energy: -8.845 tors. eta vs tors. theta energy: -17.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -188.254731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.254731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.254731 (E_RNA) where: Base-Base interactions energy: -126.096 where: short stacking energy: -53.260 Base-Backbone interact. energy: -0.001 local terms energy: -62.157156 where: bonds (distance) C4'-P energy: -10.387 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -11.951 flat angles P-C4'-P energy: -10.365 tors. eta vs tors. theta energy: -16.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -179.915089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.915089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.915089 (E_RNA) where: Base-Base interactions energy: -120.935 where: short stacking energy: -50.163 Base-Backbone interact. energy: -0.008 local terms energy: -58.971982 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -12.980 flat angles C4'-P-C4' energy: -12.750 flat angles P-C4'-P energy: -6.981 tors. eta vs tors. theta energy: -14.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -176.253098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.253098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.253098 (E_RNA) where: Base-Base interactions energy: -113.382 where: short stacking energy: -47.067 Base-Backbone interact. energy: -0.092 local terms energy: -62.779153 where: bonds (distance) C4'-P energy: -11.483 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -13.543 flat angles P-C4'-P energy: -7.482 tors. eta vs tors. theta energy: -15.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -175.173231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.173231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.173231 (E_RNA) where: Base-Base interactions energy: -119.127 where: short stacking energy: -44.620 Base-Backbone interact. energy: -0.001 local terms energy: -56.045370 where: bonds (distance) C4'-P energy: -9.947 bonds (distance) P-C4' energy: -10.640 flat angles C4'-P-C4' energy: -11.554 flat angles P-C4'-P energy: -9.604 tors. eta vs tors. theta energy: -14.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -175.119347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.119347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.119347 (E_RNA) where: Base-Base interactions energy: -129.829 where: short stacking energy: -45.224 Base-Backbone interact. energy: 0.283 local terms energy: -45.573046 where: bonds (distance) C4'-P energy: -3.588 bonds (distance) P-C4' energy: -14.137 flat angles C4'-P-C4' energy: -11.970 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: -13.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -167.399069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.399069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.399069 (E_RNA) where: Base-Base interactions energy: -124.606 where: short stacking energy: -45.818 Base-Backbone interact. energy: -0.033 local terms energy: -42.759738 where: bonds (distance) C4'-P energy: -4.056 bonds (distance) P-C4' energy: -9.062 flat angles C4'-P-C4' energy: -10.590 flat angles P-C4'-P energy: -5.710 tors. eta vs tors. theta energy: -13.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -169.936763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.936763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.936763 (E_RNA) where: Base-Base interactions energy: -121.132 where: short stacking energy: -46.786 Base-Backbone interact. energy: -0.087 local terms energy: -48.717063 where: bonds (distance) C4'-P energy: -10.607 bonds (distance) P-C4' energy: -8.368 flat angles C4'-P-C4' energy: -9.741 flat angles P-C4'-P energy: -7.317 tors. eta vs tors. theta energy: -12.684 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: 200 Temperature: 1.300000 Total energy: -77.112897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.112897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.112897 (E_RNA) where: Base-Base interactions energy: -37.132 where: short stacking energy: -24.063 Base-Backbone interact. energy: -0.205 local terms energy: -39.776017 where: bonds (distance) C4'-P energy: -9.889 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -7.922 flat angles P-C4'-P energy: -8.146 tors. eta vs tors. theta energy: -0.989 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: 1 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -66.893936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.893936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.893936 (E_RNA) where: Base-Base interactions energy: -26.059 where: short stacking energy: -8.208 Base-Backbone interact. energy: -0.164 local terms energy: -40.670633 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -9.180 flat angles P-C4'-P energy: -8.722 tors. eta vs tors. theta energy: 4.704 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: 8 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -194.807156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.807156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.807156 (E_RNA) where: Base-Base interactions energy: -132.112 where: short stacking energy: -52.199 Base-Backbone interact. energy: -0.130 local terms energy: -62.564891 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -13.807 flat angles C4'-P-C4' energy: -12.802 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: -16.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -190.393184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.393184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.393184 (E_RNA) where: Base-Base interactions energy: -131.292 where: short stacking energy: -46.367 Base-Backbone interact. energy: 0.394 local terms energy: -59.495891 where: bonds (distance) C4'-P energy: -12.469 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -11.267 flat angles P-C4'-P energy: -6.912 tors. eta vs tors. theta energy: -14.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -181.476437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.476437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.476437 (E_RNA) where: Base-Base interactions energy: -120.781 where: short stacking energy: -43.852 Base-Backbone interact. energy: -0.002 local terms energy: -60.693316 where: bonds (distance) C4'-P energy: -10.399 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -12.256 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -15.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -176.041446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.041446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.041446 (E_RNA) where: Base-Base interactions energy: -121.896 where: short stacking energy: -55.810 Base-Backbone interact. energy: -0.006 local terms energy: -54.139478 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -10.847 flat angles P-C4'-P energy: -7.604 tors. eta vs tors. theta energy: -14.653 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: 10 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -182.206128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.206128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.206128 (E_RNA) where: Base-Base interactions energy: -118.389 where: short stacking energy: -49.519 Base-Backbone interact. energy: -0.088 local terms energy: -63.728591 where: bonds (distance) C4'-P energy: -13.764 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -10.707 flat angles P-C4'-P energy: -10.088 tors. eta vs tors. theta energy: -15.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -168.558524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.558524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.558524 (E_RNA) where: Base-Base interactions energy: -115.166 where: short stacking energy: -42.702 Base-Backbone interact. energy: -0.727 local terms energy: -52.665980 where: bonds (distance) C4'-P energy: -11.409 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -8.403 flat angles P-C4'-P energy: -9.098 tors. eta vs tors. theta energy: -10.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -171.336958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.336958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.336958 (E_RNA) where: Base-Base interactions energy: -110.703 where: short stacking energy: -41.197 Base-Backbone interact. energy: -0.010 local terms energy: -60.623997 where: bonds (distance) C4'-P energy: -11.393 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -14.549 flat angles P-C4'-P energy: -8.417 tors. eta vs tors. theta energy: -12.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -171.025376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.025376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.025376 (E_RNA) where: Base-Base interactions energy: -114.509 where: short stacking energy: -48.727 Base-Backbone interact. energy: -0.020 local terms energy: -56.496550 where: bonds (distance) C4'-P energy: -11.417 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -11.960 flat angles P-C4'-P energy: -8.533 tors. eta vs tors. theta energy: -11.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -72.946763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.946763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.946763 (E_RNA) where: Base-Base interactions energy: -33.664 where: short stacking energy: -19.742 Base-Backbone interact. energy: -0.002 local terms energy: -39.280396 where: bonds (distance) C4'-P energy: -5.293 bonds (distance) P-C4' energy: -12.879 flat angles C4'-P-C4' energy: -9.982 flat angles P-C4'-P energy: -7.426 tors. eta vs tors. theta energy: -3.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -72.948391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.948391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.948391 (E_RNA) where: Base-Base interactions energy: -29.622 where: short stacking energy: -29.622 Base-Backbone interact. energy: -0.014 local terms energy: -43.311582 where: bonds (distance) C4'-P energy: -13.790 bonds (distance) P-C4' energy: -9.960 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -6.996 tors. eta vs tors. theta energy: -4.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -184.422576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.422576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.422576 (E_RNA) where: Base-Base interactions energy: -127.355 where: short stacking energy: -49.519 Base-Backbone interact. energy: -0.049 local terms energy: -57.018748 where: bonds (distance) C4'-P energy: -11.980 bonds (distance) P-C4' energy: -10.822 flat angles C4'-P-C4' energy: -12.657 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -14.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -183.889832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.889832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.889832 (E_RNA) where: Base-Base interactions energy: -118.847 where: short stacking energy: -51.885 Base-Backbone interact. energy: -1.450 local terms energy: -63.593415 where: bonds (distance) C4'-P energy: -10.908 bonds (distance) P-C4' energy: -11.791 flat angles C4'-P-C4' energy: -14.660 flat angles P-C4'-P energy: -10.376 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: 3, replica: 4 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -183.153569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.153569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.153569 (E_RNA) where: Base-Base interactions energy: -120.044 where: short stacking energy: -52.823 Base-Backbone interact. energy: -0.148 local terms energy: -62.961404 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -13.247 flat angles C4'-P-C4' energy: -12.028 flat angles P-C4'-P energy: -9.120 tors. eta vs tors. theta energy: -15.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -180.455158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.455158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.455158 (E_RNA) where: Base-Base interactions energy: -130.332 where: short stacking energy: -52.758 Base-Backbone interact. energy: -0.004 local terms energy: -50.118982 where: bonds (distance) C4'-P energy: -10.555 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -10.238 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -12.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -176.785882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.785882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.785882 (E_RNA) where: Base-Base interactions energy: -120.542 where: short stacking energy: -50.234 Base-Backbone interact. energy: -1.017 local terms energy: -55.226265 where: bonds (distance) C4'-P energy: -8.631 bonds (distance) P-C4' energy: -11.000 flat angles C4'-P-C4' energy: -11.476 flat angles P-C4'-P energy: -8.452 tors. eta vs tors. theta energy: -15.667 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: 10 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -177.378904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.378904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.378904 (E_RNA) where: Base-Base interactions energy: -122.065 where: short stacking energy: -48.645 Base-Backbone interact. energy: -0.001 local terms energy: -55.313329 where: bonds (distance) C4'-P energy: -10.220 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -11.770 flat angles P-C4'-P energy: -7.472 tors. eta vs tors. theta energy: -12.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -173.832524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.832524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.832524 (E_RNA) where: Base-Base interactions energy: -124.120 where: short stacking energy: -45.625 Base-Backbone interact. energy: -0.006 local terms energy: -49.706315 where: bonds (distance) C4'-P energy: -8.544 bonds (distance) P-C4' energy: -12.034 flat angles C4'-P-C4' energy: -11.237 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -13.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -168.081378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.081378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.081378 (E_RNA) where: Base-Base interactions energy: -115.482 where: short stacking energy: -48.101 Base-Backbone interact. energy: -1.556 local terms energy: -51.043288 where: bonds (distance) C4'-P energy: -11.099 bonds (distance) P-C4' energy: -9.790 flat angles C4'-P-C4' energy: -11.193 flat angles P-C4'-P energy: -7.689 tors. eta vs tors. theta energy: -11.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -69.436047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.436047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.436047 (E_RNA) where: Base-Base interactions energy: -33.218 where: short stacking energy: -25.992 Base-Backbone interact. energy: -0.100 local terms energy: -36.118573 where: bonds (distance) C4'-P energy: -7.799 bonds (distance) P-C4' energy: -11.831 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: -1.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -58.907403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.907403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.907403 (E_RNA) where: Base-Base interactions energy: -19.068 where: short stacking energy: -19.068 Base-Backbone interact. energy: -0.145 local terms energy: -39.694043 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -10.428 flat angles P-C4'-P energy: -7.082 tors. eta vs tors. theta energy: 2.894 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: 8 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -196.801420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.801420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.801420 (E_RNA) where: Base-Base interactions energy: -135.164 where: short stacking energy: -51.570 Base-Backbone interact. energy: -0.222 local terms energy: -61.415654 where: bonds (distance) C4'-P energy: -9.424 bonds (distance) P-C4' energy: -13.586 flat angles C4'-P-C4' energy: -14.362 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -15.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -183.449876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.449876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.449876 (E_RNA) where: Base-Base interactions energy: -124.878 where: short stacking energy: -51.436 Base-Backbone interact. energy: -1.679 local terms energy: -56.893147 where: bonds (distance) C4'-P energy: -11.624 bonds (distance) P-C4' energy: -12.316 flat angles C4'-P-C4' energy: -9.331 flat angles P-C4'-P energy: -8.192 tors. eta vs tors. theta energy: -15.430 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: 3, replica: 3 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -186.627311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.627311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.627311 (E_RNA) where: Base-Base interactions energy: -124.137 where: short stacking energy: -49.306 Base-Backbone interact. energy: -0.440 local terms energy: -62.050677 where: bonds (distance) C4'-P energy: -13.569 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -12.295 flat angles P-C4'-P energy: -10.412 tors. eta vs tors. theta energy: -11.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -180.662275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.662275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.662275 (E_RNA) where: Base-Base interactions energy: -122.501 where: short stacking energy: -46.131 Base-Backbone interact. energy: 2.212 local terms energy: -60.372975 where: bonds (distance) C4'-P energy: -12.377 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -11.066 flat angles P-C4'-P energy: -10.674 tors. eta vs tors. theta energy: -12.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -169.814111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.814111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.814111 (E_RNA) where: Base-Base interactions energy: -113.743 where: short stacking energy: -45.051 Base-Backbone interact. energy: -0.089 local terms energy: -55.982539 where: bonds (distance) C4'-P energy: -8.861 bonds (distance) P-C4' energy: -11.055 flat angles C4'-P-C4' energy: -14.610 flat angles P-C4'-P energy: -7.940 tors. eta vs tors. theta energy: -13.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -179.251331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.251331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.251331 (E_RNA) where: Base-Base interactions energy: -121.350 where: short stacking energy: -48.960 Base-Backbone interact. energy: -1.070 local terms energy: -56.831403 where: bonds (distance) C4'-P energy: -7.973 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -13.441 flat angles P-C4'-P energy: -6.859 tors. eta vs tors. theta energy: -14.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -170.170872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.170872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.170872 (E_RNA) where: Base-Base interactions energy: -117.010 where: short stacking energy: -46.670 Base-Backbone interact. energy: -0.197 local terms energy: -52.964750 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -10.363 flat angles C4'-P-C4' energy: -10.036 flat angles P-C4'-P energy: -8.979 tors. eta vs tors. theta energy: -16.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -163.458822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.458822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.458822 (E_RNA) where: Base-Base interactions energy: -110.159 where: short stacking energy: -43.877 Base-Backbone interact. energy: -0.089 local terms energy: -53.210911 where: bonds (distance) C4'-P energy: -9.988 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -13.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -74.371305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.371305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.371305 (E_RNA) where: Base-Base interactions energy: -27.934 where: short stacking energy: -20.116 Base-Backbone interact. energy: -0.468 local terms energy: -45.969081 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -12.553 flat angles C4'-P-C4' energy: -13.053 flat angles P-C4'-P energy: -6.202 tors. eta vs tors. theta energy: -1.321 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: 10, replica: 7 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -68.659100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.659100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.659100 (E_RNA) where: Base-Base interactions energy: -24.917 where: short stacking energy: -21.639 Base-Backbone interact. energy: -0.092 local terms energy: -43.650322 where: bonds (distance) C4'-P energy: -12.572 bonds (distance) P-C4' energy: -9.572 flat angles C4'-P-C4' energy: -8.316 flat angles P-C4'-P energy: -7.471 tors. eta vs tors. theta energy: -5.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -187.349200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.349200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.349200 (E_RNA) where: Base-Base interactions energy: -122.481 where: short stacking energy: -52.276 Base-Backbone interact. energy: -0.347 local terms energy: -64.520214 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -13.619 flat angles P-C4'-P energy: -7.918 tors. eta vs tors. theta energy: -16.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -181.844498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.844498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.844498 (E_RNA) where: Base-Base interactions energy: -116.333 where: short stacking energy: -41.677 Base-Backbone interact. energy: -0.278 local terms energy: -65.233200 where: bonds (distance) C4'-P energy: -14.642 bonds (distance) P-C4' energy: -12.230 flat angles C4'-P-C4' energy: -10.553 flat angles P-C4'-P energy: -10.828 tors. eta vs tors. theta energy: -16.980 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: 9 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -183.170254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.170254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.170254 (E_RNA) where: Base-Base interactions energy: -125.166 where: short stacking energy: -45.417 Base-Backbone interact. energy: -0.158 local terms energy: -57.846675 where: bonds (distance) C4'-P energy: -12.697 bonds (distance) P-C4' energy: -12.857 flat angles C4'-P-C4' energy: -11.439 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -14.011 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: 3 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -186.912125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.912125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.912125 (E_RNA) where: Base-Base interactions energy: -125.388 where: short stacking energy: -49.876 Base-Backbone interact. energy: -0.909 local terms energy: -60.615128 where: bonds (distance) C4'-P energy: -11.188 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -11.151 flat angles P-C4'-P energy: -10.223 tors. eta vs tors. theta energy: -14.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -179.441696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.441696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.441696 (E_RNA) where: Base-Base interactions energy: -119.923 where: short stacking energy: -40.009 Base-Backbone interact. energy: -0.578 local terms energy: -58.940912 where: bonds (distance) C4'-P energy: -13.275 bonds (distance) P-C4' energy: -11.701 flat angles C4'-P-C4' energy: -13.975 flat angles P-C4'-P energy: -8.046 tors. eta vs tors. theta energy: -11.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -172.246943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.246943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.246943 (E_RNA) where: Base-Base interactions energy: -120.735 where: short stacking energy: -44.304 Base-Backbone interact. energy: -0.160 local terms energy: -51.351522 where: bonds (distance) C4'-P energy: -13.118 bonds (distance) P-C4' energy: -7.859 flat angles C4'-P-C4' energy: -12.342 flat angles P-C4'-P energy: -7.297 tors. eta vs tors. theta energy: -10.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -171.055669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.055669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.055669 (E_RNA) where: Base-Base interactions energy: -119.408 where: short stacking energy: -45.595 Base-Backbone interact. energy: -0.000 local terms energy: -51.647379 where: bonds (distance) C4'-P energy: -10.788 bonds (distance) P-C4' energy: -8.847 flat angles C4'-P-C4' energy: -10.044 flat angles P-C4'-P energy: -8.139 tors. eta vs tors. theta energy: -13.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -151.829493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.829493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.829493 (E_RNA) where: Base-Base interactions energy: -103.414 where: short stacking energy: -45.425 Base-Backbone interact. energy: -0.013 local terms energy: -48.402016 where: bonds (distance) C4'-P energy: -8.143 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -8.577 flat angles P-C4'-P energy: -5.530 tors. eta vs tors. theta energy: -13.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -63.755954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.755954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.755954 (E_RNA) where: Base-Base interactions energy: -18.217 where: short stacking energy: -10.572 Base-Backbone interact. energy: -0.439 local terms energy: -45.099237 where: bonds (distance) C4'-P energy: -11.720 bonds (distance) P-C4' energy: -11.370 flat angles C4'-P-C4' energy: -13.611 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -4.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -92.991601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.991601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.991601 (E_RNA) where: Base-Base interactions energy: -54.951 where: short stacking energy: -29.698 Base-Backbone interact. energy: -0.067 local terms energy: -37.973094 where: bonds (distance) C4'-P energy: -7.653 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -10.368 flat angles P-C4'-P energy: -8.457 tors. eta vs tors. theta energy: -3.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -189.510135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.510135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.510135 (E_RNA) where: Base-Base interactions energy: -129.424 where: short stacking energy: -54.084 Base-Backbone interact. energy: -0.094 local terms energy: -59.992210 where: bonds (distance) C4'-P energy: -12.801 bonds (distance) P-C4' energy: -14.254 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -5.422 tors. eta vs tors. theta energy: -14.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -184.935266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.935266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.935266 (E_RNA) where: Base-Base interactions energy: -129.379 where: short stacking energy: -49.133 Base-Backbone interact. energy: -0.049 local terms energy: -55.507567 where: bonds (distance) C4'-P energy: -12.493 bonds (distance) P-C4' energy: -11.133 flat angles C4'-P-C4' energy: -10.660 flat angles P-C4'-P energy: -7.400 tors. eta vs tors. theta energy: -13.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -186.818590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.818590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.818590 (E_RNA) where: Base-Base interactions energy: -124.374 where: short stacking energy: -53.477 Base-Backbone interact. energy: -0.107 local terms energy: -62.337251 where: bonds (distance) C4'-P energy: -13.478 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -11.504 flat angles P-C4'-P energy: -6.701 tors. eta vs tors. theta energy: -16.542 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: 10 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -183.297289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.297289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.297289 (E_RNA) where: Base-Base interactions energy: -129.688 where: short stacking energy: -55.511 Base-Backbone interact. energy: -0.059 local terms energy: -53.550658 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -5.620 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -7.149 tors. eta vs tors. theta energy: -15.733 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: 3 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -174.843345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.843345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.843345 (E_RNA) where: Base-Base interactions energy: -119.131 where: short stacking energy: -49.340 Base-Backbone interact. energy: -0.281 local terms energy: -55.430514 where: bonds (distance) C4'-P energy: -9.706 bonds (distance) P-C4' energy: -10.967 flat angles C4'-P-C4' energy: -12.598 flat angles P-C4'-P energy: -6.432 tors. eta vs tors. theta energy: -15.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -175.723115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.723115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.723115 (E_RNA) where: Base-Base interactions energy: -120.205 where: short stacking energy: -46.566 Base-Backbone interact. energy: -0.471 local terms energy: -55.046964 where: bonds (distance) C4'-P energy: -9.455 bonds (distance) P-C4' energy: -11.567 flat angles C4'-P-C4' energy: -14.294 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -14.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -174.657072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.657072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.657072 (E_RNA) where: Base-Base interactions energy: -122.821 where: short stacking energy: -51.989 Base-Backbone interact. energy: -0.062 local terms energy: -51.774821 where: bonds (distance) C4'-P energy: -11.247 bonds (distance) P-C4' energy: -11.639 flat angles C4'-P-C4' energy: -9.737 flat angles P-C4'-P energy: -7.273 tors. eta vs tors. theta energy: -11.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -173.260564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.260564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.260564 (E_RNA) where: Base-Base interactions energy: -120.898 where: short stacking energy: -46.782 Base-Backbone interact. energy: -0.281 local terms energy: -52.081345 where: bonds (distance) C4'-P energy: -13.359 bonds (distance) P-C4' energy: -9.576 flat angles C4'-P-C4' energy: -12.844 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: -12.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -66.022669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.022669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.022669 (E_RNA) where: Base-Base interactions energy: -28.277 where: short stacking energy: -8.929 Base-Backbone interact. energy: -0.098 local terms energy: -37.647259 where: bonds (distance) C4'-P energy: -10.060 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -11.779 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: 2.184 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: 1 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -61.609093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.609093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.609093 (E_RNA) where: Base-Base interactions energy: -23.977 where: short stacking energy: -10.800 Base-Backbone interact. energy: -0.086 local terms energy: -37.546026 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -12.556 flat angles C4'-P-C4' energy: -11.000 flat angles P-C4'-P energy: -7.604 tors. eta vs tors. theta energy: 2.550 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: 9 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -189.306034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.306034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.306034 (E_RNA) where: Base-Base interactions energy: -124.456 where: short stacking energy: -53.502 Base-Backbone interact. energy: -0.110 local terms energy: -64.739918 where: bonds (distance) C4'-P energy: -11.562 bonds (distance) P-C4' energy: -14.017 flat angles C4'-P-C4' energy: -13.245 flat angles P-C4'-P energy: -8.854 tors. eta vs tors. theta energy: -17.062 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: 4 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -187.430756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.430756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.430756 (E_RNA) where: Base-Base interactions energy: -128.069 where: short stacking energy: -56.118 Base-Backbone interact. energy: -0.236 local terms energy: -59.126181 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -10.719 flat angles P-C4'-P energy: -9.987 tors. eta vs tors. theta energy: -15.340 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: 206 Temperature: 1.000000 Total energy: -180.557206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.557206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.557206 (E_RNA) where: Base-Base interactions energy: -122.269 where: short stacking energy: -50.379 Base-Backbone interact. energy: -0.290 local terms energy: -57.997982 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -7.299 flat angles C4'-P-C4' energy: -14.935 flat angles P-C4'-P energy: -8.405 tors. eta vs tors. theta energy: -15.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -185.384840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.384840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.384840 (E_RNA) where: Base-Base interactions energy: -132.937 where: short stacking energy: -55.116 Base-Backbone interact. energy: -0.228 local terms energy: -52.219871 where: bonds (distance) C4'-P energy: -10.113 bonds (distance) P-C4' energy: -10.528 flat angles C4'-P-C4' energy: -8.806 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -14.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -186.829676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.829676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.829676 (E_RNA) where: Base-Base interactions energy: -123.344 where: short stacking energy: -50.588 Base-Backbone interact. energy: -0.001 local terms energy: -63.484886 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -13.860 flat angles P-C4'-P energy: -6.521 tors. eta vs tors. theta energy: -13.486 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: 3 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -170.257110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.257110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.257110 (E_RNA) where: Base-Base interactions energy: -114.918 where: short stacking energy: -45.619 Base-Backbone interact. energy: -0.351 local terms energy: -54.988557 where: bonds (distance) C4'-P energy: -11.579 bonds (distance) P-C4' energy: -11.039 flat angles C4'-P-C4' energy: -11.548 flat angles P-C4'-P energy: -5.630 tors. eta vs tors. theta energy: -15.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -172.710921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.710921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.710921 (E_RNA) where: Base-Base interactions energy: -121.902 where: short stacking energy: -51.943 Base-Backbone interact. energy: -0.002 local terms energy: -50.806570 where: bonds (distance) C4'-P energy: -7.346 bonds (distance) P-C4' energy: -10.083 flat angles C4'-P-C4' energy: -10.214 flat angles P-C4'-P energy: -7.498 tors. eta vs tors. theta energy: -15.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -166.330034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.330034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.330034 (E_RNA) where: Base-Base interactions energy: -111.277 where: short stacking energy: -44.582 Base-Backbone interact. energy: -0.958 local terms energy: -54.095445 where: bonds (distance) C4'-P energy: -10.383 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -11.669 flat angles P-C4'-P energy: -8.291 tors. eta vs tors. theta energy: -10.418 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: 1 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -63.389999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.389999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.389999 (E_RNA) where: Base-Base interactions energy: -25.146 where: short stacking energy: -18.008 Base-Backbone interact. energy: -0.195 local terms energy: -38.048271 where: bonds (distance) C4'-P energy: -12.946 bonds (distance) P-C4' energy: -12.266 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -11.093 tors. eta vs tors. theta energy: 3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -65.043358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.043358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.043358 (E_RNA) where: Base-Base interactions energy: -25.663 where: short stacking energy: -17.202 Base-Backbone interact. energy: -0.017 local terms energy: -39.364115 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -11.038 flat angles C4'-P-C4' energy: -9.162 flat angles P-C4'-P energy: -7.098 tors. eta vs tors. theta energy: 2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -198.310023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.310023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.310023 (E_RNA) where: Base-Base interactions energy: -131.047 where: short stacking energy: -51.858 Base-Backbone interact. energy: -1.332 local terms energy: -65.930552 where: bonds (distance) C4'-P energy: -14.025 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -12.260 flat angles P-C4'-P energy: -10.721 tors. eta vs tors. theta energy: -13.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -194.461719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.461719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.461719 (E_RNA) where: Base-Base interactions energy: -134.571 where: short stacking energy: -50.787 Base-Backbone interact. energy: -0.169 local terms energy: -59.721684 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -12.220 flat angles C4'-P-C4' energy: -13.327 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -17.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -185.981583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.981583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.981583 (E_RNA) where: Base-Base interactions energy: -121.209 where: short stacking energy: -50.818 Base-Backbone interact. energy: -0.001 local terms energy: -64.771537 where: bonds (distance) C4'-P energy: -11.356 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -10.374 tors. eta vs tors. theta energy: -16.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -176.261093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.261093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.261093 (E_RNA) where: Base-Base interactions energy: -118.391 where: short stacking energy: -43.354 Base-Backbone interact. energy: -0.022 local terms energy: -57.847928 where: bonds (distance) C4'-P energy: -12.083 bonds (distance) P-C4' energy: -10.926 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -15.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -183.620217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.620217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.620217 (E_RNA) where: Base-Base interactions energy: -122.191 where: short stacking energy: -52.468 Base-Backbone interact. energy: -0.017 local terms energy: -61.411758 where: bonds (distance) C4'-P energy: -11.955 bonds (distance) P-C4' energy: -12.862 flat angles C4'-P-C4' energy: -15.074 flat angles P-C4'-P energy: -6.843 tors. eta vs tors. theta energy: -14.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -179.181283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.181283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.181283 (E_RNA) where: Base-Base interactions energy: -117.710 where: short stacking energy: -48.839 Base-Backbone interact. energy: -0.790 local terms energy: -60.681408 where: bonds (distance) C4'-P energy: -9.520 bonds (distance) P-C4' energy: -12.545 flat angles C4'-P-C4' energy: -13.131 flat angles P-C4'-P energy: -10.082 tors. eta vs tors. theta energy: -15.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -172.880885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.880885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.880885 (E_RNA) where: Base-Base interactions energy: -115.691 where: short stacking energy: -45.734 Base-Backbone interact. energy: -0.110 local terms energy: -57.079177 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -15.355 flat angles C4'-P-C4' energy: -7.153 flat angles P-C4'-P energy: -6.384 tors. eta vs tors. theta energy: -14.862 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: 2 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -176.208940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.208940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.208940 (E_RNA) where: Base-Base interactions energy: -117.739 where: short stacking energy: -51.712 Base-Backbone interact. energy: -0.011 local terms energy: -58.458233 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -10.577 flat angles P-C4'-P energy: -7.608 tors. eta vs tors. theta energy: -15.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -64.813407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.813407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.813407 (E_RNA) where: Base-Base interactions energy: -18.793 where: short stacking energy: -18.793 Base-Backbone interact. energy: -0.083 local terms energy: -45.938076 where: bonds (distance) C4'-P energy: -12.442 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -10.547 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -3.379 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: 207 Temperature: 1.350000 Total energy: -70.234590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.234590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.234590 (E_RNA) where: Base-Base interactions energy: -33.872 where: short stacking energy: -21.515 Base-Backbone interact. energy: -0.110 local terms energy: -36.252595 where: bonds (distance) C4'-P energy: -5.878 bonds (distance) P-C4' energy: -11.844 flat angles C4'-P-C4' energy: -12.605 flat angles P-C4'-P energy: -7.067 tors. eta vs tors. theta energy: 1.141 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: 208 Temperature: 0.900000 Total energy: -188.184975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.184975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.184975 (E_RNA) where: Base-Base interactions energy: -129.630 where: short stacking energy: -51.484 Base-Backbone interact. energy: -0.012 local terms energy: -58.543242 where: bonds (distance) C4'-P energy: -12.555 bonds (distance) P-C4' energy: -11.988 flat angles C4'-P-C4' energy: -9.997 flat angles P-C4'-P energy: -7.687 tors. eta vs tors. theta energy: -16.316 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: 9 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -184.574622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.574622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.574622 (E_RNA) where: Base-Base interactions energy: -123.040 where: short stacking energy: -44.919 Base-Backbone interact. energy: -0.553 local terms energy: -60.981977 where: bonds (distance) C4'-P energy: -11.006 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -12.084 flat angles P-C4'-P energy: -10.618 tors. eta vs tors. theta energy: -14.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -185.002832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.002832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.002832 (E_RNA) where: Base-Base interactions energy: -120.840 where: short stacking energy: -54.303 Base-Backbone interact. energy: -0.218 local terms energy: -63.943922 where: bonds (distance) C4'-P energy: -12.490 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -11.836 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -16.012 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: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -181.912313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.912313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.912313 (E_RNA) where: Base-Base interactions energy: -126.365 where: short stacking energy: -50.314 Base-Backbone interact. energy: -0.001 local terms energy: -55.546796 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -11.255 flat angles C4'-P-C4' energy: -10.662 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -12.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -179.813289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.813289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.813289 (E_RNA) where: Base-Base interactions energy: -121.153 where: short stacking energy: -49.928 Base-Backbone interact. energy: -0.003 local terms energy: -58.657481 where: bonds (distance) C4'-P energy: -11.161 bonds (distance) P-C4' energy: -11.156 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -6.881 tors. eta vs tors. theta energy: -15.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -171.661448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.661448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.661448 (E_RNA) where: Base-Base interactions energy: -116.387 where: short stacking energy: -44.063 Base-Backbone interact. energy: -0.419 local terms energy: -54.855306 where: bonds (distance) C4'-P energy: -9.919 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -11.846 flat angles P-C4'-P energy: -6.945 tors. eta vs tors. theta energy: -11.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -178.768940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.768940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.768940 (E_RNA) where: Base-Base interactions energy: -122.904 where: short stacking energy: -50.598 Base-Backbone interact. energy: 1.287 local terms energy: -57.152776 where: bonds (distance) C4'-P energy: -13.227 bonds (distance) P-C4' energy: -10.425 flat angles C4'-P-C4' energy: -13.656 flat angles P-C4'-P energy: -6.734 tors. eta vs tors. theta energy: -13.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -142.872902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.872902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.872902 (E_RNA) where: Base-Base interactions energy: -98.983 where: short stacking energy: -37.875 Base-Backbone interact. energy: 1.496 local terms energy: -45.385477 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -11.960 flat angles P-C4'-P energy: -5.625 tors. eta vs tors. theta energy: -7.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -71.313595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.313595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.313595 (E_RNA) where: Base-Base interactions energy: -29.861 where: short stacking energy: -29.988 Base-Backbone interact. energy: -0.726 local terms energy: -40.726396 where: bonds (distance) C4'-P energy: -12.269 bonds (distance) P-C4' energy: -14.058 flat angles C4'-P-C4' energy: -8.674 flat angles P-C4'-P energy: -7.541 tors. eta vs tors. theta energy: 1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -64.202479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.202479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.202479 (E_RNA) where: Base-Base interactions energy: -22.003 where: short stacking energy: -21.878 Base-Backbone interact. energy: -0.076 local terms energy: -42.123821 where: bonds (distance) C4'-P energy: -13.018 bonds (distance) P-C4' energy: -7.744 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -5.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -193.533855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.533855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.533855 (E_RNA) where: Base-Base interactions energy: -135.523 where: short stacking energy: -49.314 Base-Backbone interact. energy: -0.180 local terms energy: -57.831796 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -10.576 flat angles C4'-P-C4' energy: -11.376 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -17.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -187.204796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.204796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.204796 (E_RNA) where: Base-Base interactions energy: -125.447 where: short stacking energy: -50.625 Base-Backbone interact. energy: 0.009 local terms energy: -61.765909 where: bonds (distance) C4'-P energy: -11.906 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -11.805 flat angles P-C4'-P energy: -7.003 tors. eta vs tors. theta energy: -17.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -179.789592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.789592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.789592 (E_RNA) where: Base-Base interactions energy: -118.571 where: short stacking energy: -54.931 Base-Backbone interact. energy: -0.014 local terms energy: -61.205382 where: bonds (distance) C4'-P energy: -11.532 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -11.899 flat angles P-C4'-P energy: -7.605 tors. eta vs tors. theta energy: -16.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -180.961161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.961161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.961161 (E_RNA) where: Base-Base interactions energy: -119.258 where: short stacking energy: -48.301 Base-Backbone interact. energy: -0.098 local terms energy: -61.604754 where: bonds (distance) C4'-P energy: -12.530 bonds (distance) P-C4' energy: -12.514 flat angles C4'-P-C4' energy: -13.835 flat angles P-C4'-P energy: -9.565 tors. eta vs tors. theta energy: -13.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -178.401243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.401243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.401243 (E_RNA) where: Base-Base interactions energy: -121.196 where: short stacking energy: -45.492 Base-Backbone interact. energy: -0.012 local terms energy: -57.193533 where: bonds (distance) C4'-P energy: -12.343 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -11.424 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: -14.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -169.098993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.098993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.098993 (E_RNA) where: Base-Base interactions energy: -117.306 where: short stacking energy: -49.445 Base-Backbone interact. energy: -0.005 local terms energy: -51.788434 where: bonds (distance) C4'-P energy: -10.627 bonds (distance) P-C4' energy: -9.623 flat angles C4'-P-C4' energy: -8.597 flat angles P-C4'-P energy: -9.600 tors. eta vs tors. theta energy: -13.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -171.119457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.119457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.119457 (E_RNA) where: Base-Base interactions energy: -118.543 where: short stacking energy: -43.112 Base-Backbone interact. energy: -1.496 local terms energy: -51.079911 where: bonds (distance) C4'-P energy: -8.001 bonds (distance) P-C4' energy: -11.984 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -11.059 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: 7 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -71.448488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.448488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.448488 (E_RNA) where: Base-Base interactions energy: -31.421 where: short stacking energy: -19.940 Base-Backbone interact. energy: -0.107 local terms energy: -39.919828 where: bonds (distance) C4'-P energy: -13.710 bonds (distance) P-C4' energy: -9.765 flat angles C4'-P-C4' energy: -9.730 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -2.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -97.679733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.679733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.679733 (E_RNA) where: Base-Base interactions energy: -62.076 where: short stacking energy: -25.843 Base-Backbone interact. energy: -0.315 local terms energy: -35.288837 where: bonds (distance) C4'-P energy: -11.747 bonds (distance) P-C4' energy: -10.806 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: -2.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -68.758904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.758904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.758904 (E_RNA) where: Base-Base interactions energy: -31.056 where: short stacking energy: -22.968 Base-Backbone interact. energy: 2.236 local terms energy: -39.939538 where: bonds (distance) C4'-P energy: -8.204 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -13.204 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: -2.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -187.968894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.968894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.968894 (E_RNA) where: Base-Base interactions energy: -132.134 where: short stacking energy: -48.463 Base-Backbone interact. energy: -0.088 local terms energy: -55.746253 where: bonds (distance) C4'-P energy: -11.880 bonds (distance) P-C4' energy: -10.340 flat angles C4'-P-C4' energy: -13.103 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -15.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -191.157943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.157943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.157943 (E_RNA) where: Base-Base interactions energy: -134.090 where: short stacking energy: -49.441 Base-Backbone interact. energy: -0.009 local terms energy: -57.059565 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -11.412 flat angles C4'-P-C4' energy: -13.882 flat angles P-C4'-P energy: -6.448 tors. eta vs tors. theta energy: -12.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -179.622372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.622372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.622372 (E_RNA) where: Base-Base interactions energy: -120.164 where: short stacking energy: -51.159 Base-Backbone interact. energy: -0.000 local terms energy: -59.457553 where: bonds (distance) C4'-P energy: -10.871 bonds (distance) P-C4' energy: -11.460 flat angles C4'-P-C4' energy: -10.270 flat angles P-C4'-P energy: -11.667 tors. eta vs tors. theta energy: -15.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -179.440010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.440010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.440010 (E_RNA) where: Base-Base interactions energy: -127.043 where: short stacking energy: -46.581 Base-Backbone interact. energy: -0.086 local terms energy: -52.311401 where: bonds (distance) C4'-P energy: -10.399 bonds (distance) P-C4' energy: -8.595 flat angles C4'-P-C4' energy: -13.146 flat angles P-C4'-P energy: -7.484 tors. eta vs tors. theta energy: -12.687 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: 4 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -175.668625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.668625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.668625 (E_RNA) where: Base-Base interactions energy: -114.261 where: short stacking energy: -57.019 Base-Backbone interact. energy: -0.068 local terms energy: -61.339414 where: bonds (distance) C4'-P energy: -12.227 bonds (distance) P-C4' energy: -11.260 flat angles C4'-P-C4' energy: -14.458 flat angles P-C4'-P energy: -7.047 tors. eta vs tors. theta energy: -16.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -169.669252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.669252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.669252 (E_RNA) where: Base-Base interactions energy: -110.196 where: short stacking energy: -41.886 Base-Backbone interact. energy: -0.001 local terms energy: -59.472565 where: bonds (distance) C4'-P energy: -12.705 bonds (distance) P-C4' energy: -11.935 flat angles C4'-P-C4' energy: -12.002 flat angles P-C4'-P energy: -9.470 tors. eta vs tors. theta energy: -13.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -68.722014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.722014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.722014 (E_RNA) where: Base-Base interactions energy: -25.909 where: short stacking energy: -24.526 Base-Backbone interact. energy: -0.149 local terms energy: -42.664269 where: bonds (distance) C4'-P energy: -9.925 bonds (distance) P-C4' energy: -9.595 flat angles C4'-P-C4' energy: -11.094 flat angles P-C4'-P energy: -10.468 tors. eta vs tors. theta energy: -1.582 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: 210 Temperature: 1.250000 Total energy: -163.541973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.541973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.541973 (E_RNA) where: Base-Base interactions energy: -110.941 where: short stacking energy: -44.252 Base-Backbone interact. energy: -0.003 local terms energy: -52.598044 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -11.433 flat angles C4'-P-C4' energy: -10.876 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -13.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -73.900598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.900598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.900598 (E_RNA) where: Base-Base interactions energy: -34.172 where: short stacking energy: -18.429 Base-Backbone interact. energy: -0.675 local terms energy: -39.053451 where: bonds (distance) C4'-P energy: -11.922 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -9.224 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -3.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -76.218679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.218679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.218679 (E_RNA) where: Base-Base interactions energy: -33.528 where: short stacking energy: -24.705 Base-Backbone interact. energy: -0.020 local terms energy: -42.670424 where: bonds (distance) C4'-P energy: -7.683 bonds (distance) P-C4' energy: -11.439 flat angles C4'-P-C4' energy: -10.906 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -189.655785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.655785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.655785 (E_RNA) where: Base-Base interactions energy: -122.881 where: short stacking energy: -53.549 Base-Backbone interact. energy: -0.037 local terms energy: -66.738137 where: bonds (distance) C4'-P energy: -12.795 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -14.123 flat angles P-C4'-P energy: -8.469 tors. eta vs tors. theta energy: -18.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -184.100734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.100734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.100734 (E_RNA) where: Base-Base interactions energy: -123.191 where: short stacking energy: -53.519 Base-Backbone interact. energy: -0.000 local terms energy: -60.909888 where: bonds (distance) C4'-P energy: -10.907 bonds (distance) P-C4' energy: -10.914 flat angles C4'-P-C4' energy: -11.941 flat angles P-C4'-P energy: -10.673 tors. eta vs tors. theta energy: -16.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -181.479652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.479652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.479652 (E_RNA) where: Base-Base interactions energy: -122.920 where: short stacking energy: -51.232 Base-Backbone interact. energy: -0.004 local terms energy: -58.555366 where: bonds (distance) C4'-P energy: -9.918 bonds (distance) P-C4' energy: -14.321 flat angles C4'-P-C4' energy: -13.420 flat angles P-C4'-P energy: -8.306 tors. eta vs tors. theta energy: -12.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -174.944768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.944768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.944768 (E_RNA) where: Base-Base interactions energy: -122.657 where: short stacking energy: -50.478 Base-Backbone interact. energy: -0.090 local terms energy: -52.198396 where: bonds (distance) C4'-P energy: -11.176 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -11.947 flat angles P-C4'-P energy: -2.444 tors. eta vs tors. theta energy: -16.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -173.193897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.193897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.193897 (E_RNA) where: Base-Base interactions energy: -121.477 where: short stacking energy: -43.248 Base-Backbone interact. energy: -0.390 local terms energy: -51.326571 where: bonds (distance) C4'-P energy: -7.931 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -8.448 flat angles P-C4'-P energy: -9.152 tors. eta vs tors. theta energy: -11.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -171.079071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.079071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.079071 (E_RNA) where: Base-Base interactions energy: -116.879 where: short stacking energy: -48.408 Base-Backbone interact. energy: -0.062 local terms energy: -54.138152 where: bonds (distance) C4'-P energy: -11.222 bonds (distance) P-C4' energy: -11.454 flat angles C4'-P-C4' energy: -9.778 flat angles P-C4'-P energy: -7.317 tors. eta vs tors. theta energy: -14.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -76.862887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.862887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.862887 (E_RNA) where: Base-Base interactions energy: -36.581 where: short stacking energy: -17.053 Base-Backbone interact. energy: -0.018 local terms energy: -40.263054 where: bonds (distance) C4'-P energy: -8.064 bonds (distance) P-C4' energy: -9.354 flat angles C4'-P-C4' energy: -13.090 flat angles P-C4'-P energy: -8.448 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -164.925752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.925752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.925752 (E_RNA) where: Base-Base interactions energy: -110.092 where: short stacking energy: -44.226 Base-Backbone interact. energy: -0.592 local terms energy: -54.241893 where: bonds (distance) C4'-P energy: -13.788 bonds (distance) P-C4' energy: -10.517 flat angles C4'-P-C4' energy: -12.805 flat angles P-C4'-P energy: -7.496 tors. eta vs tors. theta energy: -9.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -80.329698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.329698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.329698 (E_RNA) where: Base-Base interactions energy: -42.349 where: short stacking energy: -19.714 Base-Backbone interact. energy: 0.987 local terms energy: -38.966911 where: bonds (distance) C4'-P energy: -11.238 bonds (distance) P-C4' energy: -9.689 flat angles C4'-P-C4' energy: -8.157 flat angles P-C4'-P energy: -9.545 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -56.722615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.722615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.722615 (E_RNA) where: Base-Base interactions energy: -21.910 where: short stacking energy: -21.102 Base-Backbone interact. energy: -0.024 local terms energy: -34.788843 where: bonds (distance) C4'-P energy: -4.614 bonds (distance) P-C4' energy: -12.899 flat angles C4'-P-C4' energy: -12.416 flat angles P-C4'-P energy: -6.629 tors. eta vs tors. theta energy: 1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -187.281741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.281741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.281741 (E_RNA) where: Base-Base interactions energy: -125.358 where: short stacking energy: -48.418 Base-Backbone interact. energy: -0.002 local terms energy: -61.921929 where: bonds (distance) C4'-P energy: -10.795 bonds (distance) P-C4' energy: -12.833 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -8.851 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: 2, replica: 10 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -184.591905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.591905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.591905 (E_RNA) where: Base-Base interactions energy: -124.375 where: short stacking energy: -47.089 Base-Backbone interact. energy: -0.000 local terms energy: -60.216834 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -13.222 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -6.571 tors. eta vs tors. theta energy: -14.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -179.203585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.203585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.203585 (E_RNA) where: Base-Base interactions energy: -123.784 where: short stacking energy: -45.854 Base-Backbone interact. energy: -0.015 local terms energy: -55.404375 where: bonds (distance) C4'-P energy: -11.417 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -9.981 flat angles P-C4'-P energy: -7.363 tors. eta vs tors. theta energy: -13.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -185.363066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.363066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.363066 (E_RNA) where: Base-Base interactions energy: -127.206 where: short stacking energy: -51.645 Base-Backbone interact. energy: -0.059 local terms energy: -58.098544 where: bonds (distance) C4'-P energy: -12.493 bonds (distance) P-C4' energy: -11.295 flat angles C4'-P-C4' energy: -13.379 flat angles P-C4'-P energy: -7.330 tors. eta vs tors. theta energy: -13.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -185.064939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.064939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.064939 (E_RNA) where: Base-Base interactions energy: -127.344 where: short stacking energy: -48.830 Base-Backbone interact. energy: 0.959 local terms energy: -58.680511 where: bonds (distance) C4'-P energy: -12.672 bonds (distance) P-C4' energy: -14.439 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -8.446 tors. eta vs tors. theta energy: -15.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -170.684713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.684713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.684713 (E_RNA) where: Base-Base interactions energy: -116.960 where: short stacking energy: -44.888 Base-Backbone interact. energy: -0.151 local terms energy: -53.573656 where: bonds (distance) C4'-P energy: -10.672 bonds (distance) P-C4' energy: -12.574 flat angles C4'-P-C4' energy: -10.564 flat angles P-C4'-P energy: -4.802 tors. eta vs tors. theta energy: -14.962 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: 212 Temperature: 1.200000 Total energy: -174.025808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.025808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.025808 (E_RNA) where: Base-Base interactions energy: -111.655 where: short stacking energy: -40.707 Base-Backbone interact. energy: -0.029 local terms energy: -62.342391 where: bonds (distance) C4'-P energy: -13.333 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -13.138 flat angles P-C4'-P energy: -9.242 tors. eta vs tors. theta energy: -12.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -70.483260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.483260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.483260 (E_RNA) where: Base-Base interactions energy: -25.704 where: short stacking energy: -15.949 Base-Backbone interact. energy: -0.114 local terms energy: -44.664864 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -15.312 flat angles C4'-P-C4' energy: -8.869 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -69.201996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.201996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.201996 (E_RNA) where: Base-Base interactions energy: -28.336 where: short stacking energy: -14.959 Base-Backbone interact. energy: -0.219 local terms energy: -40.647379 where: bonds (distance) C4'-P energy: -7.669 bonds (distance) P-C4' energy: -10.430 flat angles C4'-P-C4' energy: -13.851 flat angles P-C4'-P energy: -10.360 tors. eta vs tors. theta energy: 1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -65.167642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.167642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.167642 (E_RNA) where: Base-Base interactions energy: -31.209 where: short stacking energy: -18.282 Base-Backbone interact. energy: -0.249 local terms energy: -33.709640 where: bonds (distance) C4'-P energy: -10.027 bonds (distance) P-C4' energy: -12.781 flat angles C4'-P-C4' energy: -9.712 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: 3.564 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: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -191.024286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.024286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.024286 (E_RNA) where: Base-Base interactions energy: -131.421 where: short stacking energy: -52.026 Base-Backbone interact. energy: -0.000 local terms energy: -59.603034 where: bonds (distance) C4'-P energy: -11.728 bonds (distance) P-C4' energy: -13.304 flat angles C4'-P-C4' energy: -16.115 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: -12.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -184.405935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.405935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.405935 (E_RNA) where: Base-Base interactions energy: -129.646 where: short stacking energy: -51.427 Base-Backbone interact. energy: -0.022 local terms energy: -54.737936 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -10.621 flat angles P-C4'-P energy: -6.474 tors. eta vs tors. theta energy: -11.455 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: 4 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -179.933365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.933365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.933365 (E_RNA) where: Base-Base interactions energy: -120.808 where: short stacking energy: -48.140 Base-Backbone interact. energy: -0.002 local terms energy: -59.123523 where: bonds (distance) C4'-P energy: -10.424 bonds (distance) P-C4' energy: -12.712 flat angles C4'-P-C4' energy: -12.402 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -14.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -184.812164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.812164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.812164 (E_RNA) where: Base-Base interactions energy: -125.847 where: short stacking energy: -52.195 Base-Backbone interact. energy: -0.100 local terms energy: -58.864699 where: bonds (distance) C4'-P energy: -10.465 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -12.336 flat angles P-C4'-P energy: -8.825 tors. eta vs tors. theta energy: -13.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -175.202747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.202747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.202747 (E_RNA) where: Base-Base interactions energy: -120.917 where: short stacking energy: -43.688 Base-Backbone interact. energy: -0.030 local terms energy: -54.255327 where: bonds (distance) C4'-P energy: -12.510 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -12.456 flat angles P-C4'-P energy: -8.121 tors. eta vs tors. theta energy: -8.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -176.571327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.571327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.571327 (E_RNA) where: Base-Base interactions energy: -115.077 where: short stacking energy: -51.882 Base-Backbone interact. energy: -0.059 local terms energy: -61.436041 where: bonds (distance) C4'-P energy: -13.288 bonds (distance) P-C4' energy: -12.334 flat angles C4'-P-C4' energy: -14.594 flat angles P-C4'-P energy: -7.860 tors. eta vs tors. theta energy: -13.360 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: 213 Temperature: 1.200000 Total energy: -169.553945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.553945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.553945 (E_RNA) where: Base-Base interactions energy: -115.504 where: short stacking energy: -42.401 Base-Backbone interact. energy: -0.000 local terms energy: -54.049091 where: bonds (distance) C4'-P energy: -10.292 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -9.497 flat angles P-C4'-P energy: -7.253 tors. eta vs tors. theta energy: -13.281 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: 7 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -75.111278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.111278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.111278 (E_RNA) where: Base-Base interactions energy: -34.905 where: short stacking energy: -19.868 Base-Backbone interact. energy: 0.018 local terms energy: -40.224167 where: bonds (distance) C4'-P energy: -9.881 bonds (distance) P-C4' energy: -11.675 flat angles C4'-P-C4' energy: -11.079 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -2.307 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: 9, replica: 3 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -72.245521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.245521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.245521 (E_RNA) where: Base-Base interactions energy: -26.978 where: short stacking energy: -26.978 Base-Backbone interact. energy: -0.204 local terms energy: -45.063054 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -9.246 flat angles C4'-P-C4' energy: -11.522 flat angles P-C4'-P energy: -8.183 tors. eta vs tors. theta energy: -3.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -64.831832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.831832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.831832 (E_RNA) where: Base-Base interactions energy: -32.762 where: short stacking energy: -20.923 Base-Backbone interact. energy: -0.354 local terms energy: -31.716523 where: bonds (distance) C4'-P energy: -9.393 bonds (distance) P-C4' energy: -13.441 flat angles C4'-P-C4' energy: -11.593 flat angles P-C4'-P energy: 1.211 tors. eta vs tors. theta energy: 1.499 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: 5 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -197.469833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.469833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.469833 (E_RNA) where: Base-Base interactions energy: -140.557 where: short stacking energy: -47.557 Base-Backbone interact. energy: -0.039 local terms energy: -56.874216 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -13.850 flat angles P-C4'-P energy: -6.227 tors. eta vs tors. theta energy: -14.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -191.281545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.281545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.281545 (E_RNA) where: Base-Base interactions energy: -125.581 where: short stacking energy: -51.767 Base-Backbone interact. energy: -0.087 local terms energy: -65.613240 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -11.959 flat angles P-C4'-P energy: -7.701 tors. eta vs tors. theta energy: -17.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -185.564446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.564446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.564446 (E_RNA) where: Base-Base interactions energy: -121.804 where: short stacking energy: -48.108 Base-Backbone interact. energy: -0.045 local terms energy: -63.715126 where: bonds (distance) C4'-P energy: -12.323 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -13.541 flat angles P-C4'-P energy: -8.924 tors. eta vs tors. theta energy: -14.256 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: 4 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -174.515907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.515907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.515907 (E_RNA) where: Base-Base interactions energy: -118.628 where: short stacking energy: -43.079 Base-Backbone interact. energy: -0.071 local terms energy: -55.816784 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -11.622 flat angles C4'-P-C4' energy: -11.074 flat angles P-C4'-P energy: -8.548 tors. eta vs tors. theta energy: -12.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -178.680208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.680208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.680208 (E_RNA) where: Base-Base interactions energy: -123.421 where: short stacking energy: -50.419 Base-Backbone interact. energy: -0.001 local terms energy: -55.258021 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -11.162 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -15.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -175.600221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.600221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.600221 (E_RNA) where: Base-Base interactions energy: -120.980 where: short stacking energy: -54.823 Base-Backbone interact. energy: -0.001 local terms energy: -54.619913 where: bonds (distance) C4'-P energy: -12.821 bonds (distance) P-C4' energy: -10.608 flat angles C4'-P-C4' energy: -10.270 flat angles P-C4'-P energy: -6.607 tors. eta vs tors. theta energy: -14.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -170.924577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.924577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.924577 (E_RNA) where: Base-Base interactions energy: -119.541 where: short stacking energy: -46.964 Base-Backbone interact. energy: 1.006 local terms energy: -52.388959 where: bonds (distance) C4'-P energy: -11.243 bonds (distance) P-C4' energy: -9.277 flat angles C4'-P-C4' energy: -10.374 flat angles P-C4'-P energy: -8.701 tors. eta vs tors. theta energy: -12.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -75.657906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.657906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.657906 (E_RNA) where: Base-Base interactions energy: -27.987 where: short stacking energy: -14.777 Base-Backbone interact. energy: -0.442 local terms energy: -47.229397 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -13.872 flat angles P-C4'-P energy: -6.639 tors. eta vs tors. theta energy: -1.441 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: 1 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -67.080387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.080387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.080387 (E_RNA) where: Base-Base interactions energy: -25.016 where: short stacking energy: -25.016 Base-Backbone interact. energy: -0.082 local terms energy: -41.982102 where: bonds (distance) C4'-P energy: -8.954 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -10.110 flat angles P-C4'-P energy: -3.556 tors. eta vs tors. theta energy: -6.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -66.107590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.107590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.107590 (E_RNA) where: Base-Base interactions energy: -29.617 where: short stacking energy: -19.304 Base-Backbone interact. energy: -0.005 local terms energy: -36.486033 where: bonds (distance) C4'-P energy: -9.274 bonds (distance) P-C4' energy: -11.917 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -3.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -189.158483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.158483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.158483 (E_RNA) where: Base-Base interactions energy: -128.851 where: short stacking energy: -50.868 Base-Backbone interact. energy: -0.001 local terms energy: -60.307358 where: bonds (distance) C4'-P energy: -13.756 bonds (distance) P-C4' energy: -11.011 flat angles C4'-P-C4' energy: -11.631 flat angles P-C4'-P energy: -9.159 tors. eta vs tors. theta energy: -14.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -185.582090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.582090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.582090 (E_RNA) where: Base-Base interactions energy: -128.819 where: short stacking energy: -47.192 Base-Backbone interact. energy: -0.088 local terms energy: -56.674856 where: bonds (distance) C4'-P energy: -13.904 bonds (distance) P-C4' energy: -12.583 flat angles C4'-P-C4' energy: -12.260 flat angles P-C4'-P energy: -6.605 tors. eta vs tors. theta energy: -11.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -186.446771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.446771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.446771 (E_RNA) where: Base-Base interactions energy: -128.947 where: short stacking energy: -53.402 Base-Backbone interact. energy: -0.003 local terms energy: -57.496416 where: bonds (distance) C4'-P energy: -13.176 bonds (distance) P-C4' energy: -10.192 flat angles C4'-P-C4' energy: -12.749 flat angles P-C4'-P energy: -6.414 tors. eta vs tors. theta energy: -14.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -178.004328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.004328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.004328 (E_RNA) where: Base-Base interactions energy: -123.012 where: short stacking energy: -44.280 Base-Backbone interact. energy: -0.100 local terms energy: -54.892667 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -11.662 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -12.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -173.970325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.970325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.970325 (E_RNA) where: Base-Base interactions energy: -116.633 where: short stacking energy: -41.106 Base-Backbone interact. energy: -0.356 local terms energy: -56.981183 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -10.708 flat angles C4'-P-C4' energy: -10.783 flat angles P-C4'-P energy: -9.975 tors. eta vs tors. theta energy: -11.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -176.860002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.860002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.860002 (E_RNA) where: Base-Base interactions energy: -123.496 where: short stacking energy: -47.371 Base-Backbone interact. energy: -0.100 local terms energy: -53.263925 where: bonds (distance) C4'-P energy: -9.803 bonds (distance) P-C4' energy: -10.602 flat angles C4'-P-C4' energy: -11.373 flat angles P-C4'-P energy: -4.223 tors. eta vs tors. theta energy: -17.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -169.010627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.010627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.010627 (E_RNA) where: Base-Base interactions energy: -112.468 where: short stacking energy: -42.635 Base-Backbone interact. energy: 0.515 local terms energy: -57.057660 where: bonds (distance) C4'-P energy: -9.263 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -12.489 flat angles P-C4'-P energy: -9.939 tors. eta vs tors. theta energy: -10.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -66.621230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.621230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.621230 (E_RNA) where: Base-Base interactions energy: -22.185 where: short stacking energy: -22.185 Base-Backbone interact. energy: -0.003 local terms energy: -44.432608 where: bonds (distance) C4'-P energy: -10.388 bonds (distance) P-C4' energy: -12.074 flat angles C4'-P-C4' energy: -7.694 flat angles P-C4'-P energy: -7.929 tors. eta vs tors. theta energy: -6.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -74.646177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.646177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.646177 (E_RNA) where: Base-Base interactions energy: -38.862 where: short stacking energy: -21.787 Base-Backbone interact. energy: -0.447 local terms energy: -35.337209 where: bonds (distance) C4'-P energy: -10.382 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -0.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -62.411605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.411605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.411605 (E_RNA) where: Base-Base interactions energy: -22.070 where: short stacking energy: -22.670 Base-Backbone interact. energy: -0.017 local terms energy: -40.324958 where: bonds (distance) C4'-P energy: -11.221 bonds (distance) P-C4' energy: -13.561 flat angles C4'-P-C4' energy: -7.746 flat angles P-C4'-P energy: -5.255 tors. eta vs tors. theta energy: -2.543 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: 216 Temperature: 0.900000 Total energy: -196.614422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.614422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.614422 (E_RNA) where: Base-Base interactions energy: -131.513 where: short stacking energy: -59.446 Base-Backbone interact. energy: -0.053 local terms energy: -65.047927 where: bonds (distance) C4'-P energy: -12.569 bonds (distance) P-C4' energy: -12.672 flat angles C4'-P-C4' energy: -13.241 flat angles P-C4'-P energy: -8.613 tors. eta vs tors. theta energy: -17.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -186.260590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.260590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.260590 (E_RNA) where: Base-Base interactions energy: -124.808 where: short stacking energy: -49.538 Base-Backbone interact. energy: -0.037 local terms energy: -61.415220 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -11.659 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -17.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -189.958499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.958499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.958499 (E_RNA) where: Base-Base interactions energy: -124.364 where: short stacking energy: -50.404 Base-Backbone interact. energy: -0.001 local terms energy: -65.593607 where: bonds (distance) C4'-P energy: -11.476 bonds (distance) P-C4' energy: -13.995 flat angles C4'-P-C4' energy: -12.116 flat angles P-C4'-P energy: -11.275 tors. eta vs tors. theta energy: -16.731 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: 9 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -179.263792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.263792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.263792 (E_RNA) where: Base-Base interactions energy: -120.561 where: short stacking energy: -45.579 Base-Backbone interact. energy: -0.135 local terms energy: -58.567319 where: bonds (distance) C4'-P energy: -11.333 bonds (distance) P-C4' energy: -14.457 flat angles C4'-P-C4' energy: -10.670 flat angles P-C4'-P energy: -9.369 tors. eta vs tors. theta energy: -12.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -175.119450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.119450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.119450 (E_RNA) where: Base-Base interactions energy: -116.894 where: short stacking energy: -43.848 Base-Backbone interact. energy: -0.379 local terms energy: -57.846913 where: bonds (distance) C4'-P energy: -10.194 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -9.455 flat angles P-C4'-P energy: -8.636 tors. eta vs tors. theta energy: -14.977 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: 4 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -179.151263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.151263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.151263 (E_RNA) where: Base-Base interactions energy: -127.302 where: short stacking energy: -51.659 Base-Backbone interact. energy: -0.015 local terms energy: -51.833734 where: bonds (distance) C4'-P energy: -12.401 bonds (distance) P-C4' energy: -8.965 flat angles C4'-P-C4' energy: -11.705 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -12.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -170.243486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.243486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.243486 (E_RNA) where: Base-Base interactions energy: -115.175 where: short stacking energy: -46.169 Base-Backbone interact. energy: -0.002 local terms energy: -55.066037 where: bonds (distance) C4'-P energy: -10.410 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -10.795 flat angles P-C4'-P energy: -7.931 tors. eta vs tors. theta energy: -13.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -71.137538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.137538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.137538 (E_RNA) where: Base-Base interactions energy: -26.959 where: short stacking energy: -20.140 Base-Backbone interact. energy: 1.020 local terms energy: -45.198160 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -8.374 flat angles P-C4'-P energy: -9.541 tors. eta vs tors. theta energy: -1.953 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: 3 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -85.140721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.140721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.140721 (E_RNA) where: Base-Base interactions energy: -42.838 where: short stacking energy: -27.412 Base-Backbone interact. energy: -0.009 local terms energy: -42.293605 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -8.331 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -7.542 tors. eta vs tors. theta energy: -5.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -59.923491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.923491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.923491 (E_RNA) where: Base-Base interactions energy: -20.550 where: short stacking energy: -12.375 Base-Backbone interact. energy: -0.780 local terms energy: -38.593607 where: bonds (distance) C4'-P energy: -11.653 bonds (distance) P-C4' energy: -12.337 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -5.014 tors. eta vs tors. theta energy: -1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -192.195333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.195333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.195333 (E_RNA) where: Base-Base interactions energy: -130.491 where: short stacking energy: -54.169 Base-Backbone interact. energy: -0.085 local terms energy: -61.618957 where: bonds (distance) C4'-P energy: -12.444 bonds (distance) P-C4' energy: -8.079 flat angles C4'-P-C4' energy: -16.016 flat angles P-C4'-P energy: -7.363 tors. eta vs tors. theta energy: -17.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -187.838424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.838424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.838424 (E_RNA) where: Base-Base interactions energy: -123.547 where: short stacking energy: -51.000 Base-Backbone interact. energy: -0.083 local terms energy: -64.207602 where: bonds (distance) C4'-P energy: -14.149 bonds (distance) P-C4' energy: -12.879 flat angles C4'-P-C4' energy: -11.025 flat angles P-C4'-P energy: -8.350 tors. eta vs tors. theta energy: -17.805 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: 6 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -183.667251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.667251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.667251 (E_RNA) where: Base-Base interactions energy: -120.874 where: short stacking energy: -53.213 Base-Backbone interact. energy: -0.001 local terms energy: -62.792214 where: bonds (distance) C4'-P energy: -12.845 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -13.645 flat angles P-C4'-P energy: -7.446 tors. eta vs tors. theta energy: -14.651 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: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -183.044269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.044269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.044269 (E_RNA) where: Base-Base interactions energy: -128.789 where: short stacking energy: -54.787 Base-Backbone interact. energy: -0.080 local terms energy: -54.175349 where: bonds (distance) C4'-P energy: -11.231 bonds (distance) P-C4' energy: -11.009 flat angles C4'-P-C4' energy: -11.908 flat angles P-C4'-P energy: -6.400 tors. eta vs tors. theta energy: -13.628 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: 217 Temperature: 1.100000 Total energy: -184.829776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.829776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.829776 (E_RNA) where: Base-Base interactions energy: -128.522 where: short stacking energy: -54.635 Base-Backbone interact. energy: -0.048 local terms energy: -56.259836 where: bonds (distance) C4'-P energy: -11.021 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -13.095 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -14.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -176.859528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.859528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.859528 (E_RNA) where: Base-Base interactions energy: -117.055 where: short stacking energy: -48.011 Base-Backbone interact. energy: -0.002 local terms energy: -59.802238 where: bonds (distance) C4'-P energy: -12.394 bonds (distance) P-C4' energy: -11.290 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -16.075 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: 217 Temperature: 1.200000 Total energy: -175.146524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.146524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.146524 (E_RNA) where: Base-Base interactions energy: -121.496 where: short stacking energy: -47.130 Base-Backbone interact. energy: -0.130 local terms energy: -53.521025 where: bonds (distance) C4'-P energy: -12.283 bonds (distance) P-C4' energy: -13.071 flat angles C4'-P-C4' energy: -11.605 flat angles P-C4'-P energy: -2.255 tors. eta vs tors. theta energy: -14.307 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: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -75.453105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.453105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.453105 (E_RNA) where: Base-Base interactions energy: -30.198 where: short stacking energy: -30.198 Base-Backbone interact. energy: -0.108 local terms energy: -45.147296 where: bonds (distance) C4'-P energy: -11.537 bonds (distance) P-C4' energy: -12.177 flat angles C4'-P-C4' energy: -8.278 flat angles P-C4'-P energy: -8.801 tors. eta vs tors. theta energy: -4.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -117.670067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.670067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.670067 (E_RNA) where: Base-Base interactions energy: -69.749 where: short stacking energy: -34.926 Base-Backbone interact. energy: -0.047 local terms energy: -47.873574 where: bonds (distance) C4'-P energy: -8.930 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -8.235 flat angles P-C4'-P energy: -7.807 tors. eta vs tors. theta energy: -8.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -60.192629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.192629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.192629 (E_RNA) where: Base-Base interactions energy: -23.597 where: short stacking energy: -23.597 Base-Backbone interact. energy: -0.134 local terms energy: -36.461378 where: bonds (distance) C4'-P energy: -3.240 bonds (distance) P-C4' energy: -15.312 flat angles C4'-P-C4' energy: -8.734 flat angles P-C4'-P energy: -9.633 tors. eta vs tors. theta energy: 0.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -202.130185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.130185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.130185 (E_RNA) where: Base-Base interactions energy: -139.210 where: short stacking energy: -54.800 Base-Backbone interact. energy: -0.125 local terms energy: -62.795640 where: bonds (distance) C4'-P energy: -13.105 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -13.706 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -17.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -190.744761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.744761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.744761 (E_RNA) where: Base-Base interactions energy: -128.975 where: short stacking energy: -45.701 Base-Backbone interact. energy: -0.199 local terms energy: -61.571040 where: bonds (distance) C4'-P energy: -13.739 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -15.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -182.001702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.001702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.001702 (E_RNA) where: Base-Base interactions energy: -119.800 where: short stacking energy: -53.725 Base-Backbone interact. energy: -0.760 local terms energy: -61.441910 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -10.173 flat angles P-C4'-P energy: -11.236 tors. eta vs tors. theta energy: -14.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -184.486237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.486237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.486237 (E_RNA) where: Base-Base interactions energy: -122.269 where: short stacking energy: -45.642 Base-Backbone interact. energy: -0.001 local terms energy: -62.216816 where: bonds (distance) C4'-P energy: -13.478 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -8.857 tors. eta vs tors. theta energy: -15.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -174.322832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.322832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.322832 (E_RNA) where: Base-Base interactions energy: -119.768 where: short stacking energy: -50.395 Base-Backbone interact. energy: -1.261 local terms energy: -53.294089 where: bonds (distance) C4'-P energy: -10.006 bonds (distance) P-C4' energy: -12.809 flat angles C4'-P-C4' energy: -9.409 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -16.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -176.823442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.823442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.823442 (E_RNA) where: Base-Base interactions energy: -127.411 where: short stacking energy: -47.678 Base-Backbone interact. energy: -0.065 local terms energy: -49.347443 where: bonds (distance) C4'-P energy: -8.489 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -11.028 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -16.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -166.354236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.354236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.354236 (E_RNA) where: Base-Base interactions energy: -110.435 where: short stacking energy: -41.551 Base-Backbone interact. energy: -0.005 local terms energy: -55.914382 where: bonds (distance) C4'-P energy: -13.512 bonds (distance) P-C4' energy: -12.094 flat angles C4'-P-C4' energy: -11.363 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -13.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -74.759029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.759029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.759029 (E_RNA) where: Base-Base interactions energy: -31.403 where: short stacking energy: -31.403 Base-Backbone interact. energy: 0.962 local terms energy: -44.317690 where: bonds (distance) C4'-P energy: -13.019 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -10.569 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -7.649 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: 7 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -59.251239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.251239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.251239 (E_RNA) where: Base-Base interactions energy: -24.606 where: short stacking energy: -22.290 Base-Backbone interact. energy: -0.770 local terms energy: -33.875117 where: bonds (distance) C4'-P energy: -11.954 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -7.433 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: 3.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -69.548093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.548093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.548093 (E_RNA) where: Base-Base interactions energy: -34.115 where: short stacking energy: -26.507 Base-Backbone interact. energy: -0.300 local terms energy: -35.133479 where: bonds (distance) C4'-P energy: -2.390 bonds (distance) P-C4' energy: -11.155 flat angles C4'-P-C4' energy: -11.815 flat angles P-C4'-P energy: -1.392 tors. eta vs tors. theta energy: -8.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -191.670389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.670389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.670389 (E_RNA) where: Base-Base interactions energy: -130.347 where: short stacking energy: -52.648 Base-Backbone interact. energy: -0.000 local terms energy: -61.323349 where: bonds (distance) C4'-P energy: -9.774 bonds (distance) P-C4' energy: -11.196 flat angles C4'-P-C4' energy: -12.730 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: -17.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -179.630109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.630109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.630109 (E_RNA) where: Base-Base interactions energy: -116.836 where: short stacking energy: -47.408 Base-Backbone interact. energy: -0.076 local terms energy: -62.717604 where: bonds (distance) C4'-P energy: -11.608 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -13.835 flat angles P-C4'-P energy: -7.982 tors. eta vs tors. theta energy: -14.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -182.142552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.142552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.142552 (E_RNA) where: Base-Base interactions energy: -123.740 where: short stacking energy: -46.854 Base-Backbone interact. energy: -0.026 local terms energy: -58.375963 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -12.736 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -10.576 tors. eta vs tors. theta energy: -12.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -179.365774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.365774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.365774 (E_RNA) where: Base-Base interactions energy: -128.990 where: short stacking energy: -51.665 Base-Backbone interact. energy: -0.300 local terms energy: -50.075981 where: bonds (distance) C4'-P energy: -8.332 bonds (distance) P-C4' energy: -9.263 flat angles C4'-P-C4' energy: -13.818 flat angles P-C4'-P energy: -5.865 tors. eta vs tors. theta energy: -12.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -181.698939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.698939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.698939 (E_RNA) where: Base-Base interactions energy: -129.922 where: short stacking energy: -50.802 Base-Backbone interact. energy: -1.106 local terms energy: -50.671896 where: bonds (distance) C4'-P energy: -13.176 bonds (distance) P-C4' energy: -9.436 flat angles C4'-P-C4' energy: -13.056 flat angles P-C4'-P energy: -1.098 tors. eta vs tors. theta energy: -13.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -167.824974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.824974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.824974 (E_RNA) where: Base-Base interactions energy: -115.924 where: short stacking energy: -44.858 Base-Backbone interact. energy: -0.011 local terms energy: -51.890119 where: bonds (distance) C4'-P energy: -7.669 bonds (distance) P-C4' energy: -10.116 flat angles C4'-P-C4' energy: -12.549 flat angles P-C4'-P energy: -8.062 tors. eta vs tors. theta energy: -13.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -164.729696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.729696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.729696 (E_RNA) where: Base-Base interactions energy: -108.718 where: short stacking energy: -46.301 Base-Backbone interact. energy: -0.013 local terms energy: -55.998641 where: bonds (distance) C4'-P energy: -9.699 bonds (distance) P-C4' energy: -13.836 flat angles C4'-P-C4' energy: -13.117 flat angles P-C4'-P energy: -9.236 tors. eta vs tors. theta energy: -10.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -68.325257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.325257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.325257 (E_RNA) where: Base-Base interactions energy: -26.638 where: short stacking energy: -26.638 Base-Backbone interact. energy: -1.330 local terms energy: -40.357394 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -11.864 flat angles C4'-P-C4' energy: -8.303 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -70.575063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.575063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.575063 (E_RNA) where: Base-Base interactions energy: -24.343 where: short stacking energy: -24.276 Base-Backbone interact. energy: -0.013 local terms energy: -46.219359 where: bonds (distance) C4'-P energy: -10.709 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -9.352 flat angles P-C4'-P energy: -9.233 tors. eta vs tors. theta energy: -4.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -67.196828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.196828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.196828 (E_RNA) where: Base-Base interactions energy: -31.926 where: short stacking energy: -14.117 Base-Backbone interact. energy: -0.267 local terms energy: -35.004352 where: bonds (distance) C4'-P energy: -11.587 bonds (distance) P-C4' energy: -6.571 flat angles C4'-P-C4' energy: -10.196 flat angles P-C4'-P energy: -6.881 tors. eta vs tors. theta energy: 0.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -186.849299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.849299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.849299 (E_RNA) where: Base-Base interactions energy: -120.503 where: short stacking energy: -55.252 Base-Backbone interact. energy: -0.007 local terms energy: -66.339772 where: bonds (distance) C4'-P energy: -14.046 bonds (distance) P-C4' energy: -14.276 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -10.971 tors. eta vs tors. theta energy: -14.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -186.642768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.642768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.642768 (E_RNA) where: Base-Base interactions energy: -128.026 where: short stacking energy: -51.727 Base-Backbone interact. energy: -0.002 local terms energy: -58.614752 where: bonds (distance) C4'-P energy: -9.306 bonds (distance) P-C4' energy: -12.307 flat angles C4'-P-C4' energy: -12.835 flat angles P-C4'-P energy: -7.861 tors. eta vs tors. theta energy: -16.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -175.212450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.212450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.212450 (E_RNA) where: Base-Base interactions energy: -116.697 where: short stacking energy: -48.775 Base-Backbone interact. energy: 0.354 local terms energy: -58.869263 where: bonds (distance) C4'-P energy: -13.123 bonds (distance) P-C4' energy: -12.448 flat angles C4'-P-C4' energy: -11.999 flat angles P-C4'-P energy: -6.904 tors. eta vs tors. theta energy: -14.396 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: 220 Temperature: 1.050000 Total energy: -178.272516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.272516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.272516 (E_RNA) where: Base-Base interactions energy: -127.129 where: short stacking energy: -48.730 Base-Backbone interact. energy: -0.067 local terms energy: -51.076700 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -11.548 flat angles C4'-P-C4' energy: -12.287 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -11.917 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: 5, replica: 4 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -174.771764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.771764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.771764 (E_RNA) where: Base-Base interactions energy: -115.275 where: short stacking energy: -47.598 Base-Backbone interact. energy: -0.725 local terms energy: -58.771592 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -12.010 flat angles C4'-P-C4' energy: -12.621 flat angles P-C4'-P energy: -7.360 tors. eta vs tors. theta energy: -13.336 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: 6, replica: 6 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -172.012830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.012830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.012830 (E_RNA) where: Base-Base interactions energy: -120.257 where: short stacking energy: -47.457 Base-Backbone interact. energy: -0.404 local terms energy: -51.352624 where: bonds (distance) C4'-P energy: -14.227 bonds (distance) P-C4' energy: -11.650 flat angles C4'-P-C4' energy: -10.823 flat angles P-C4'-P energy: -1.710 tors. eta vs tors. theta energy: -12.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -176.852777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.852777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.852777 (E_RNA) where: Base-Base interactions energy: -121.423 where: short stacking energy: -47.940 Base-Backbone interact. energy: -1.018 local terms energy: -54.410892 where: bonds (distance) C4'-P energy: -10.676 bonds (distance) P-C4' energy: -10.470 flat angles C4'-P-C4' energy: -11.650 flat angles P-C4'-P energy: -7.925 tors. eta vs tors. theta energy: -13.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -67.469922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.469922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.469922 (E_RNA) where: Base-Base interactions energy: -25.714 where: short stacking energy: -14.179 Base-Backbone interact. energy: -0.226 local terms energy: -41.529898 where: bonds (distance) C4'-P energy: -11.305 bonds (distance) P-C4' energy: -11.589 flat angles C4'-P-C4' energy: -10.667 flat angles P-C4'-P energy: -8.093 tors. eta vs tors. theta energy: 0.124 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: 3 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -68.494625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.494625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.494625 (E_RNA) where: Base-Base interactions energy: -26.723 where: short stacking energy: -26.816 Base-Backbone interact. energy: -0.117 local terms energy: -41.654535 where: bonds (distance) C4'-P energy: -10.197 bonds (distance) P-C4' energy: -11.659 flat angles C4'-P-C4' energy: -12.930 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: -0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -61.222582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.222582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.222582 (E_RNA) where: Base-Base interactions energy: -16.139 where: short stacking energy: -16.139 Base-Backbone interact. energy: -0.228 local terms energy: -44.855778 where: bonds (distance) C4'-P energy: -9.634 bonds (distance) P-C4' energy: -10.141 flat angles C4'-P-C4' energy: -11.097 flat angles P-C4'-P energy: -9.522 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -186.721471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.721471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.721471 (E_RNA) where: Base-Base interactions energy: -125.621 where: short stacking energy: -57.010 Base-Backbone interact. energy: -0.300 local terms energy: -60.800344 where: bonds (distance) C4'-P energy: -10.183 bonds (distance) P-C4' energy: -13.178 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -9.209 tors. eta vs tors. theta energy: -14.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -187.679913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.679913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.679913 (E_RNA) where: Base-Base interactions energy: -130.946 where: short stacking energy: -56.357 Base-Backbone interact. energy: -0.000 local terms energy: -56.733344 where: bonds (distance) C4'-P energy: -13.114 bonds (distance) P-C4' energy: -12.122 flat angles C4'-P-C4' energy: -10.715 flat angles P-C4'-P energy: -6.641 tors. eta vs tors. theta energy: -14.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -181.314995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.314995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.314995 (E_RNA) where: Base-Base interactions energy: -125.137 where: short stacking energy: -47.021 Base-Backbone interact. energy: -0.102 local terms energy: -56.076607 where: bonds (distance) C4'-P energy: -11.210 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -11.077 flat angles P-C4'-P energy: -9.142 tors. eta vs tors. theta energy: -17.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -177.327535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.327535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.327535 (E_RNA) where: Base-Base interactions energy: -122.549 where: short stacking energy: -48.416 Base-Backbone interact. energy: -0.673 local terms energy: -54.105650 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -10.894 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: -15.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -176.849920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.849920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.849920 (E_RNA) where: Base-Base interactions energy: -116.032 where: short stacking energy: -48.716 Base-Backbone interact. energy: -0.003 local terms energy: -60.814825 where: bonds (distance) C4'-P energy: -9.662 bonds (distance) P-C4' energy: -10.901 flat angles C4'-P-C4' energy: -14.358 flat angles P-C4'-P energy: -9.457 tors. eta vs tors. theta energy: -16.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -167.332744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.332744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.332744 (E_RNA) where: Base-Base interactions energy: -110.541 where: short stacking energy: -43.718 Base-Backbone interact. energy: 1.522 local terms energy: -58.313663 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -12.866 flat angles P-C4'-P energy: -7.217 tors. eta vs tors. theta energy: -12.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -176.870722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.870722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.870722 (E_RNA) where: Base-Base interactions energy: -118.118 where: short stacking energy: -48.566 Base-Backbone interact. energy: -0.049 local terms energy: -58.703737 where: bonds (distance) C4'-P energy: -9.064 bonds (distance) P-C4' energy: -15.140 flat angles C4'-P-C4' energy: -11.629 flat angles P-C4'-P energy: -8.425 tors. eta vs tors. theta energy: -14.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -65.634323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.634323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.634323 (E_RNA) where: Base-Base interactions energy: -22.329 where: short stacking energy: -20.690 Base-Backbone interact. energy: -0.248 local terms energy: -43.057889 where: bonds (distance) C4'-P energy: -13.942 bonds (distance) P-C4' energy: -9.435 flat angles C4'-P-C4' energy: -9.392 flat angles P-C4'-P energy: -5.927 tors. eta vs tors. theta energy: -4.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -75.049320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.049320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.049320 (E_RNA) where: Base-Base interactions energy: -27.669 where: short stacking energy: -27.669 Base-Backbone interact. energy: -0.123 local terms energy: -47.257749 where: bonds (distance) C4'-P energy: -11.880 bonds (distance) P-C4' energy: -14.294 flat angles C4'-P-C4' energy: -13.509 flat angles P-C4'-P energy: -0.973 tors. eta vs tors. theta energy: -6.602 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: 1 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -71.710681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.710681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.710681 (E_RNA) where: Base-Base interactions energy: -23.798 where: short stacking energy: -23.798 Base-Backbone interact. energy: -0.026 local terms energy: -47.887310 where: bonds (distance) C4'-P energy: -12.105 bonds (distance) P-C4' energy: -14.241 flat angles C4'-P-C4' energy: -11.249 flat angles P-C4'-P energy: -5.133 tors. eta vs tors. theta energy: -5.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -190.845894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.845894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.845894 (E_RNA) where: Base-Base interactions energy: -126.673 where: short stacking energy: -52.905 Base-Backbone interact. energy: -1.054 local terms energy: -63.119059 where: bonds (distance) C4'-P energy: -12.697 bonds (distance) P-C4' energy: -9.640 flat angles C4'-P-C4' energy: -15.191 flat angles P-C4'-P energy: -9.315 tors. eta vs tors. theta energy: -16.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -183.941205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.941205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.941205 (E_RNA) where: Base-Base interactions energy: -127.297 where: short stacking energy: -57.239 Base-Backbone interact. energy: -0.245 local terms energy: -56.399354 where: bonds (distance) C4'-P energy: -12.323 bonds (distance) P-C4' energy: -11.644 flat angles C4'-P-C4' energy: -10.897 flat angles P-C4'-P energy: -7.218 tors. eta vs tors. theta energy: -14.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -187.029033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.029033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.029033 (E_RNA) where: Base-Base interactions energy: -126.302 where: short stacking energy: -53.290 Base-Backbone interact. energy: -0.055 local terms energy: -60.672389 where: bonds (distance) C4'-P energy: -11.773 bonds (distance) P-C4' energy: -12.806 flat angles C4'-P-C4' energy: -12.028 flat angles P-C4'-P energy: -8.284 tors. eta vs tors. theta energy: -15.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -180.015117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.015117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.015117 (E_RNA) where: Base-Base interactions energy: -132.762 where: short stacking energy: -51.604 Base-Backbone interact. energy: -0.252 local terms energy: -47.000521 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -8.141 flat angles C4'-P-C4' energy: -9.843 flat angles P-C4'-P energy: -2.882 tors. eta vs tors. theta energy: -13.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -171.581365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.581365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.581365 (E_RNA) where: Base-Base interactions energy: -109.638 where: short stacking energy: -47.889 Base-Backbone interact. energy: -0.007 local terms energy: -61.935784 where: bonds (distance) C4'-P energy: -12.171 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -10.258 flat angles P-C4'-P energy: -10.490 tors. eta vs tors. theta energy: -15.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -172.496653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.496653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.496653 (E_RNA) where: Base-Base interactions energy: -118.240 where: short stacking energy: -51.525 Base-Backbone interact. energy: 0.286 local terms energy: -54.542847 where: bonds (distance) C4'-P energy: -7.980 bonds (distance) P-C4' energy: -10.453 flat angles C4'-P-C4' energy: -12.486 flat angles P-C4'-P energy: -9.597 tors. eta vs tors. theta energy: -14.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -174.954282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.954282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.954282 (E_RNA) where: Base-Base interactions energy: -111.051 where: short stacking energy: -44.699 Base-Backbone interact. energy: -0.056 local terms energy: -63.847223 where: bonds (distance) C4'-P energy: -12.469 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -14.492 flat angles P-C4'-P energy: -11.998 tors. eta vs tors. theta energy: -12.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -69.773383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.773383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.773383 (E_RNA) where: Base-Base interactions energy: -35.306 where: short stacking energy: -24.327 Base-Backbone interact. energy: -0.242 local terms energy: -34.225392 where: bonds (distance) C4'-P energy: -7.235 bonds (distance) P-C4' energy: -11.542 flat angles C4'-P-C4' energy: -9.375 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -2.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -70.349036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.349036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.349036 (E_RNA) where: Base-Base interactions energy: -26.736 where: short stacking energy: -18.548 Base-Backbone interact. energy: -0.433 local terms energy: -43.180475 where: bonds (distance) C4'-P energy: -12.485 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -12.884 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -1.386 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: 222 Temperature: 1.350000 Total energy: -57.506060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.506060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.506060 (E_RNA) where: Base-Base interactions energy: -20.490 where: short stacking energy: -8.783 Base-Backbone interact. energy: 0.969 local terms energy: -37.985450 where: bonds (distance) C4'-P energy: -11.028 bonds (distance) P-C4' energy: -10.073 flat angles C4'-P-C4' energy: -13.552 flat angles P-C4'-P energy: -8.134 tors. eta vs tors. theta energy: 4.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -189.307702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.307702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.307702 (E_RNA) where: Base-Base interactions energy: -130.569 where: short stacking energy: -50.274 Base-Backbone interact. energy: -0.397 local terms energy: -58.341876 where: bonds (distance) C4'-P energy: -11.640 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -9.929 flat angles P-C4'-P energy: -8.570 tors. eta vs tors. theta energy: -14.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -187.991795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.991795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.991795 (E_RNA) where: Base-Base interactions energy: -127.090 where: short stacking energy: -51.741 Base-Backbone interact. energy: 0.382 local terms energy: -61.283822 where: bonds (distance) C4'-P energy: -12.352 bonds (distance) P-C4' energy: -11.098 flat angles C4'-P-C4' energy: -10.996 flat angles P-C4'-P energy: -10.164 tors. eta vs tors. theta energy: -16.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -186.439143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.439143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.439143 (E_RNA) where: Base-Base interactions energy: -125.556 where: short stacking energy: -48.560 Base-Backbone interact. energy: -0.001 local terms energy: -60.882960 where: bonds (distance) C4'-P energy: -11.264 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -6.929 tors. eta vs tors. theta energy: -14.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -184.543310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.543310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.543310 (E_RNA) where: Base-Base interactions energy: -125.040 where: short stacking energy: -55.846 Base-Backbone interact. energy: -0.001 local terms energy: -59.501997 where: bonds (distance) C4'-P energy: -11.765 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -9.468 flat angles P-C4'-P energy: -7.779 tors. eta vs tors. theta energy: -17.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -178.616391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.616391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.616391 (E_RNA) where: Base-Base interactions energy: -120.827 where: short stacking energy: -49.674 Base-Backbone interact. energy: -0.030 local terms energy: -57.759443 where: bonds (distance) C4'-P energy: -10.357 bonds (distance) P-C4' energy: -12.740 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -16.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -171.749423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.749423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.749423 (E_RNA) where: Base-Base interactions energy: -118.661 where: short stacking energy: -46.825 Base-Backbone interact. energy: -0.809 local terms energy: -52.278941 where: bonds (distance) C4'-P energy: -10.892 bonds (distance) P-C4' energy: -12.983 flat angles C4'-P-C4' energy: -9.339 flat angles P-C4'-P energy: -6.386 tors. eta vs tors. theta energy: -12.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -169.501547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.501547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.501547 (E_RNA) where: Base-Base interactions energy: -117.219 where: short stacking energy: -46.535 Base-Backbone interact. energy: -0.051 local terms energy: -52.232373 where: bonds (distance) C4'-P energy: -10.905 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -7.338 tors. eta vs tors. theta energy: -12.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -72.318331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.318331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.318331 (E_RNA) where: Base-Base interactions energy: -20.093 where: short stacking energy: -20.093 Base-Backbone interact. energy: -0.028 local terms energy: -52.197622 where: bonds (distance) C4'-P energy: -14.493 bonds (distance) P-C4' energy: -9.899 flat angles C4'-P-C4' energy: -14.095 flat angles P-C4'-P energy: -10.345 tors. eta vs tors. theta energy: -3.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -68.017957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.017957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.017957 (E_RNA) where: Base-Base interactions energy: -25.198 where: short stacking energy: -25.198 Base-Backbone interact. energy: -0.112 local terms energy: -42.708000 where: bonds (distance) C4'-P energy: -11.897 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -11.369 flat angles P-C4'-P energy: -7.048 tors. eta vs tors. theta energy: -0.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -63.884362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.884362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.884362 (E_RNA) where: Base-Base interactions energy: -23.537 where: short stacking energy: -19.751 Base-Backbone interact. energy: -0.113 local terms energy: -40.235261 where: bonds (distance) C4'-P energy: -9.375 bonds (distance) P-C4' energy: -12.957 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -9.559 tors. eta vs tors. theta energy: -1.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -188.542572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.542572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.542572 (E_RNA) where: Base-Base interactions energy: -133.509 where: short stacking energy: -45.407 Base-Backbone interact. energy: -0.025 local terms energy: -55.008622 where: bonds (distance) C4'-P energy: -9.620 bonds (distance) P-C4' energy: -12.729 flat angles C4'-P-C4' energy: -10.661 flat angles P-C4'-P energy: -10.182 tors. eta vs tors. theta energy: -11.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -187.548764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.548764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.548764 (E_RNA) where: Base-Base interactions energy: -129.002 where: short stacking energy: -50.017 Base-Backbone interact. energy: -0.001 local terms energy: -58.546606 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -13.300 flat angles C4'-P-C4' energy: -13.500 flat angles P-C4'-P energy: -9.720 tors. eta vs tors. theta energy: -15.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -178.200846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.200846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.200846 (E_RNA) where: Base-Base interactions energy: -124.436 where: short stacking energy: -52.142 Base-Backbone interact. energy: -0.090 local terms energy: -53.674235 where: bonds (distance) C4'-P energy: -9.784 bonds (distance) P-C4' energy: -10.125 flat angles C4'-P-C4' energy: -12.096 flat angles P-C4'-P energy: -4.832 tors. eta vs tors. theta energy: -16.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -181.523758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.523758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.523758 (E_RNA) where: Base-Base interactions energy: -127.690 where: short stacking energy: -51.465 Base-Backbone interact. energy: -0.080 local terms energy: -53.753176 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -8.760 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -15.463 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: 224 Temperature: 1.100000 Total energy: -174.142991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.142991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.142991 (E_RNA) where: Base-Base interactions energy: -116.550 where: short stacking energy: -48.629 Base-Backbone interact. energy: -0.005 local terms energy: -57.588104 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -10.788 flat angles P-C4'-P energy: -7.984 tors. eta vs tors. theta energy: -13.001 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: 224 Temperature: 1.150000 Total energy: -174.168859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.168859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.168859 (E_RNA) where: Base-Base interactions energy: -121.059 where: short stacking energy: -42.468 Base-Backbone interact. energy: -0.113 local terms energy: -52.996607 where: bonds (distance) C4'-P energy: -11.156 bonds (distance) P-C4' energy: -10.619 flat angles C4'-P-C4' energy: -11.162 flat angles P-C4'-P energy: -7.221 tors. eta vs tors. theta energy: -12.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -173.926478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.926478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.926478 (E_RNA) where: Base-Base interactions energy: -115.188 where: short stacking energy: -46.536 Base-Backbone interact. energy: -0.023 local terms energy: -58.715462 where: bonds (distance) C4'-P energy: -11.561 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -9.647 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -14.416 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: 8, replica: 1 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -60.460586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.460586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.460586 (E_RNA) where: Base-Base interactions energy: -22.746 where: short stacking energy: -22.679 Base-Backbone interact. energy: 0.010 local terms energy: -37.724182 where: bonds (distance) C4'-P energy: -10.120 bonds (distance) P-C4' energy: -10.116 flat angles C4'-P-C4' energy: -10.521 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -2.274 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: 224 Temperature: 1.300000 Total energy: -67.174767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.174767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.174767 (E_RNA) where: Base-Base interactions energy: -24.139 where: short stacking energy: -17.877 Base-Backbone interact. energy: -0.137 local terms energy: -42.898990 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -10.449 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -3.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -62.441953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.441953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.441953 (E_RNA) where: Base-Base interactions energy: -28.029 where: short stacking energy: -16.955 Base-Backbone interact. energy: -0.156 local terms energy: -34.257194 where: bonds (distance) C4'-P energy: -8.836 bonds (distance) P-C4' energy: -13.003 flat angles C4'-P-C4' energy: -9.314 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: 0.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -191.976847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.976847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.976847 (E_RNA) where: Base-Base interactions energy: -126.311 where: short stacking energy: -50.732 Base-Backbone interact. energy: -0.118 local terms energy: -65.548739 where: bonds (distance) C4'-P energy: -11.632 bonds (distance) P-C4' energy: -15.591 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -8.176 tors. eta vs tors. theta energy: -17.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -184.836832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.836832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.836832 (E_RNA) where: Base-Base interactions energy: -123.125 where: short stacking energy: -54.273 Base-Backbone interact. energy: -0.097 local terms energy: -61.614927 where: bonds (distance) C4'-P energy: -13.383 bonds (distance) P-C4' energy: -14.812 flat angles C4'-P-C4' energy: -13.022 flat angles P-C4'-P energy: -7.258 tors. eta vs tors. theta energy: -13.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -185.108573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.108573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.108573 (E_RNA) where: Base-Base interactions energy: -127.870 where: short stacking energy: -45.984 Base-Backbone interact. energy: -0.866 local terms energy: -56.372868 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -8.354 tors. eta vs tors. theta energy: -13.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -179.435209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.435209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.435209 (E_RNA) where: Base-Base interactions energy: -121.960 where: short stacking energy: -48.249 Base-Backbone interact. energy: -0.867 local terms energy: -56.608968 where: bonds (distance) C4'-P energy: -9.376 bonds (distance) P-C4' energy: -12.978 flat angles C4'-P-C4' energy: -13.544 flat angles P-C4'-P energy: -8.260 tors. eta vs tors. theta energy: -12.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -176.804242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.804242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.804242 (E_RNA) where: Base-Base interactions energy: -119.573 where: short stacking energy: -48.234 Base-Backbone interact. energy: -0.014 local terms energy: -57.218019 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -13.094 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -16.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -169.056626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.056626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.056626 (E_RNA) where: Base-Base interactions energy: -115.756 where: short stacking energy: -44.137 Base-Backbone interact. energy: -0.057 local terms energy: -53.243505 where: bonds (distance) C4'-P energy: -12.493 bonds (distance) P-C4' energy: -11.114 flat angles C4'-P-C4' energy: -8.808 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -14.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -174.773138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.773138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.773138 (E_RNA) where: Base-Base interactions energy: -124.667 where: short stacking energy: -46.293 Base-Backbone interact. energy: 0.150 local terms energy: -50.255757 where: bonds (distance) C4'-P energy: -11.752 bonds (distance) P-C4' energy: -7.705 flat angles C4'-P-C4' energy: -10.064 flat angles P-C4'-P energy: -8.664 tors. eta vs tors. theta energy: -12.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -85.379137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.379137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.379137 (E_RNA) where: Base-Base interactions energy: -43.065 where: short stacking energy: -20.787 Base-Backbone interact. energy: -0.811 local terms energy: -41.503373 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -9.868 flat angles C4'-P-C4' energy: -11.592 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -2.680 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: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -60.311196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.311196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.311196 (E_RNA) where: Base-Base interactions energy: -19.269 where: short stacking energy: -18.334 Base-Backbone interact. energy: -0.081 local terms energy: -40.961326 where: bonds (distance) C4'-P energy: -11.144 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -9.232 flat angles P-C4'-P energy: -8.172 tors. eta vs tors. theta energy: 2.929 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: 3 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -68.889973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.889973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.889973 (E_RNA) where: Base-Base interactions energy: -23.421 where: short stacking energy: -20.063 Base-Backbone interact. energy: 0.881 local terms energy: -46.350010 where: bonds (distance) C4'-P energy: -11.196 bonds (distance) P-C4' energy: -13.022 flat angles C4'-P-C4' energy: -11.294 flat angles P-C4'-P energy: -10.265 tors. eta vs tors. theta energy: -0.573 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: 1, replica: 8 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -186.689758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.689758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.689758 (E_RNA) where: Base-Base interactions energy: -125.971 where: short stacking energy: -52.090 Base-Backbone interact. energy: -0.005 local terms energy: -60.713768 where: bonds (distance) C4'-P energy: -11.860 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -13.010 flat angles P-C4'-P energy: -7.268 tors. eta vs tors. theta energy: -15.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -184.294825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.294825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.294825 (E_RNA) where: Base-Base interactions energy: -126.186 where: short stacking energy: -50.576 Base-Backbone interact. energy: 1.605 local terms energy: -59.714010 where: bonds (distance) C4'-P energy: -10.651 bonds (distance) P-C4' energy: -12.542 flat angles C4'-P-C4' energy: -13.295 flat angles P-C4'-P energy: -8.899 tors. eta vs tors. theta energy: -14.327 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: 9 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -182.239705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.239705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.239705 (E_RNA) where: Base-Base interactions energy: -121.516 where: short stacking energy: -48.430 Base-Backbone interact. energy: -0.001 local terms energy: -60.722154 where: bonds (distance) C4'-P energy: -12.390 bonds (distance) P-C4' energy: -11.147 flat angles C4'-P-C4' energy: -12.997 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -15.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -177.518297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.518297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.518297 (E_RNA) where: Base-Base interactions energy: -122.238 where: short stacking energy: -46.034 Base-Backbone interact. energy: -0.012 local terms energy: -55.268485 where: bonds (distance) C4'-P energy: -12.739 bonds (distance) P-C4' energy: -13.036 flat angles C4'-P-C4' energy: -9.810 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -15.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -170.060906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.060906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.060906 (E_RNA) where: Base-Base interactions energy: -114.729 where: short stacking energy: -48.503 Base-Backbone interact. energy: -0.005 local terms energy: -55.326777 where: bonds (distance) C4'-P energy: -9.599 bonds (distance) P-C4' energy: -10.939 flat angles C4'-P-C4' energy: -12.755 flat angles P-C4'-P energy: -10.577 tors. eta vs tors. theta energy: -11.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -170.163166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.163166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.163166 (E_RNA) where: Base-Base interactions energy: -113.597 where: short stacking energy: -48.761 Base-Backbone interact. energy: -0.002 local terms energy: -56.564475 where: bonds (distance) C4'-P energy: -10.340 bonds (distance) P-C4' energy: -10.667 flat angles C4'-P-C4' energy: -13.491 flat angles P-C4'-P energy: -8.947 tors. eta vs tors. theta energy: -13.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -170.013767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.013767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.013767 (E_RNA) where: Base-Base interactions energy: -110.516 where: short stacking energy: -44.890 Base-Backbone interact. energy: 0.130 local terms energy: -59.627278 where: bonds (distance) C4'-P energy: -12.092 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -10.850 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -13.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -81.127775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.127775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.127775 (E_RNA) where: Base-Base interactions energy: -38.224 where: short stacking energy: -29.169 Base-Backbone interact. energy: -0.013 local terms energy: -42.890623 where: bonds (distance) C4'-P energy: -8.348 bonds (distance) P-C4' energy: -9.389 flat angles C4'-P-C4' energy: -12.521 flat angles P-C4'-P energy: -8.766 tors. eta vs tors. theta energy: -3.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -65.613810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.613810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.613810 (E_RNA) where: Base-Base interactions energy: -24.557 where: short stacking energy: -22.863 Base-Backbone interact. energy: -0.012 local terms energy: -41.045242 where: bonds (distance) C4'-P energy: -11.114 bonds (distance) P-C4' energy: -8.106 flat angles C4'-P-C4' energy: -13.784 flat angles P-C4'-P energy: -8.166 tors. eta vs tors. theta energy: 0.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -69.249837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.249837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.249837 (E_RNA) where: Base-Base interactions energy: -30.570 where: short stacking energy: -21.072 Base-Backbone interact. energy: 0.337 local terms energy: -39.017090 where: bonds (distance) C4'-P energy: -10.460 bonds (distance) P-C4' energy: -13.371 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -3.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -190.543078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.543078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.543078 (E_RNA) where: Base-Base interactions energy: -132.019 where: short stacking energy: -55.070 Base-Backbone interact. energy: -0.511 local terms energy: -58.013200 where: bonds (distance) C4'-P energy: -10.830 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -14.568 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -13.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -184.841910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.841910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.841910 (E_RNA) where: Base-Base interactions energy: -127.267 where: short stacking energy: -50.357 Base-Backbone interact. energy: -0.293 local terms energy: -57.281950 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -10.263 flat angles C4'-P-C4' energy: -12.896 flat angles P-C4'-P energy: -6.692 tors. eta vs tors. theta energy: -14.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -187.087071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.087071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.087071 (E_RNA) where: Base-Base interactions energy: -128.825 where: short stacking energy: -48.371 Base-Backbone interact. energy: -0.076 local terms energy: -58.185573 where: bonds (distance) C4'-P energy: -9.809 bonds (distance) P-C4' energy: -14.098 flat angles C4'-P-C4' energy: -10.467 flat angles P-C4'-P energy: -7.979 tors. eta vs tors. theta energy: -15.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -174.158004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.158004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.158004 (E_RNA) where: Base-Base interactions energy: -110.900 where: short stacking energy: -42.627 Base-Backbone interact. energy: -0.077 local terms energy: -63.181058 where: bonds (distance) C4'-P energy: -13.665 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -13.693 flat angles P-C4'-P energy: -7.106 tors. eta vs tors. theta energy: -14.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -174.628350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.628350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.628350 (E_RNA) where: Base-Base interactions energy: -113.629 where: short stacking energy: -45.348 Base-Backbone interact. energy: -0.077 local terms energy: -60.921883 where: bonds (distance) C4'-P energy: -12.323 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -12.008 flat angles P-C4'-P energy: -8.751 tors. eta vs tors. theta energy: -13.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -173.513887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.513887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.513887 (E_RNA) where: Base-Base interactions energy: -113.118 where: short stacking energy: -46.622 Base-Backbone interact. energy: -0.390 local terms energy: -60.005472 where: bonds (distance) C4'-P energy: -11.980 bonds (distance) P-C4' energy: -11.439 flat angles C4'-P-C4' energy: -13.178 flat angles P-C4'-P energy: -9.730 tors. eta vs tors. theta energy: -13.678 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: 227 Temperature: 1.200000 Total energy: -171.264671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.264671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.264671 (E_RNA) where: Base-Base interactions energy: -119.914 where: short stacking energy: -44.883 Base-Backbone interact. energy: -0.044 local terms energy: -51.306589 where: bonds (distance) C4'-P energy: -8.237 bonds (distance) P-C4' energy: -11.694 flat angles C4'-P-C4' energy: -12.418 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -13.607 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: 3 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -62.622693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.622693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.622693 (E_RNA) where: Base-Base interactions energy: -21.546 where: short stacking energy: -21.546 Base-Backbone interact. energy: 0.284 local terms energy: -41.360334 where: bonds (distance) C4'-P energy: -8.196 bonds (distance) P-C4' energy: -11.334 flat angles C4'-P-C4' energy: -12.847 flat angles P-C4'-P energy: -8.512 tors. eta vs tors. theta energy: -0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -63.467824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.467824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.467824 (E_RNA) where: Base-Base interactions energy: -30.395 where: short stacking energy: -20.978 Base-Backbone interact. energy: -0.111 local terms energy: -32.961226 where: bonds (distance) C4'-P energy: -8.979 bonds (distance) P-C4' energy: -9.849 flat angles C4'-P-C4' energy: -8.931 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -1.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -59.148218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.148218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.148218 (E_RNA) where: Base-Base interactions energy: -18.082 where: short stacking energy: -15.669 Base-Backbone interact. energy: -0.100 local terms energy: -40.966482 where: bonds (distance) C4'-P energy: -11.807 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -12.307 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: 2.469 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: 228 Temperature: 0.900000 Total energy: -188.037196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.037196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.037196 (E_RNA) where: Base-Base interactions energy: -129.032 where: short stacking energy: -47.579 Base-Backbone interact. energy: -0.062 local terms energy: -58.944058 where: bonds (distance) C4'-P energy: -11.524 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -12.542 flat angles P-C4'-P energy: -9.790 tors. eta vs tors. theta energy: -12.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -190.845411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.845411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.845411 (E_RNA) where: Base-Base interactions energy: -134.644 where: short stacking energy: -50.311 Base-Backbone interact. energy: 0.220 local terms energy: -56.421161 where: bonds (distance) C4'-P energy: -10.515 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -10.014 flat angles P-C4'-P energy: -8.147 tors. eta vs tors. theta energy: -14.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -182.934916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.934916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.934916 (E_RNA) where: Base-Base interactions energy: -121.646 where: short stacking energy: -51.720 Base-Backbone interact. energy: -0.378 local terms energy: -60.910627 where: bonds (distance) C4'-P energy: -12.680 bonds (distance) P-C4' energy: -12.316 flat angles C4'-P-C4' energy: -14.009 flat angles P-C4'-P energy: -6.314 tors. eta vs tors. theta energy: -15.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -186.781413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.781413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.781413 (E_RNA) where: Base-Base interactions energy: -128.648 where: short stacking energy: -49.459 Base-Backbone interact. energy: -0.165 local terms energy: -57.968251 where: bonds (distance) C4'-P energy: -9.032 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -11.056 flat angles P-C4'-P energy: -9.505 tors. eta vs tors. theta energy: -14.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -182.550723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.550723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.550723 (E_RNA) where: Base-Base interactions energy: -123.620 where: short stacking energy: -53.367 Base-Backbone interact. energy: -0.015 local terms energy: -58.915580 where: bonds (distance) C4'-P energy: -10.863 bonds (distance) P-C4' energy: -11.076 flat angles C4'-P-C4' energy: -14.343 flat angles P-C4'-P energy: -8.193 tors. eta vs tors. theta energy: -14.440 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: 2 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -170.562829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.562829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.562829 (E_RNA) where: Base-Base interactions energy: -117.696 where: short stacking energy: -40.288 Base-Backbone interact. energy: -0.087 local terms energy: -52.779327 where: bonds (distance) C4'-P energy: -11.412 bonds (distance) P-C4' energy: -9.361 flat angles C4'-P-C4' energy: -12.845 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -14.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -163.109308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.109308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.109308 (E_RNA) where: Base-Base interactions energy: -113.263 where: short stacking energy: -46.895 Base-Backbone interact. energy: 0.515 local terms energy: -50.361770 where: bonds (distance) C4'-P energy: -11.053 bonds (distance) P-C4' energy: -8.731 flat angles C4'-P-C4' energy: -12.658 flat angles P-C4'-P energy: -7.192 tors. eta vs tors. theta energy: -10.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -70.178977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.178977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.178977 (E_RNA) where: Base-Base interactions energy: -27.156 where: short stacking energy: -27.156 Base-Backbone interact. energy: -0.010 local terms energy: -43.012621 where: bonds (distance) C4'-P energy: -8.274 bonds (distance) P-C4' energy: -11.715 flat angles C4'-P-C4' energy: -12.616 flat angles P-C4'-P energy: -5.771 tors. eta vs tors. theta energy: -4.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -74.281912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.281912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.281912 (E_RNA) where: Base-Base interactions energy: -29.254 where: short stacking energy: -29.254 Base-Backbone interact. energy: -0.100 local terms energy: -44.927825 where: bonds (distance) C4'-P energy: -10.825 bonds (distance) P-C4' energy: -10.880 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -8.028 tors. eta vs tors. theta energy: -9.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -66.783085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.783085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.783085 (E_RNA) where: Base-Base interactions energy: -27.255 where: short stacking energy: -24.907 Base-Backbone interact. energy: -0.040 local terms energy: -39.487498 where: bonds (distance) C4'-P energy: -12.687 bonds (distance) P-C4' energy: -8.042 flat angles C4'-P-C4' energy: -9.078 flat angles P-C4'-P energy: -8.826 tors. eta vs tors. theta energy: -0.855 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: 229 Temperature: 0.900000 Total energy: -185.680074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.680074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.680074 (E_RNA) where: Base-Base interactions energy: -125.186 where: short stacking energy: -50.245 Base-Backbone interact. energy: -0.105 local terms energy: -60.389800 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -13.037 flat angles P-C4'-P energy: -6.368 tors. eta vs tors. theta energy: -15.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -184.970329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.970329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.970329 (E_RNA) where: Base-Base interactions energy: -119.852 where: short stacking energy: -50.189 Base-Backbone interact. energy: -0.425 local terms energy: -64.692770 where: bonds (distance) C4'-P energy: -13.540 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -13.542 flat angles P-C4'-P energy: -7.884 tors. eta vs tors. theta energy: -15.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -184.389980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.389980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.389980 (E_RNA) where: Base-Base interactions energy: -120.215 where: short stacking energy: -47.998 Base-Backbone interact. energy: -0.722 local terms energy: -63.453310 where: bonds (distance) C4'-P energy: -9.165 bonds (distance) P-C4' energy: -12.313 flat angles C4'-P-C4' energy: -14.155 flat angles P-C4'-P energy: -11.757 tors. eta vs tors. theta energy: -16.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -178.705080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.705080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.705080 (E_RNA) where: Base-Base interactions energy: -120.250 where: short stacking energy: -47.235 Base-Backbone interact. energy: -0.003 local terms energy: -58.451757 where: bonds (distance) C4'-P energy: -10.956 bonds (distance) P-C4' energy: -12.718 flat angles C4'-P-C4' energy: -11.489 flat angles P-C4'-P energy: -8.706 tors. eta vs tors. theta energy: -14.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -182.155486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.155486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.155486 (E_RNA) where: Base-Base interactions energy: -122.086 where: short stacking energy: -48.220 Base-Backbone interact. energy: -0.107 local terms energy: -59.962727 where: bonds (distance) C4'-P energy: -11.678 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -9.227 flat angles P-C4'-P energy: -10.415 tors. eta vs tors. theta energy: -15.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -170.594970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.594970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.594970 (E_RNA) where: Base-Base interactions energy: -113.262 where: short stacking energy: -41.484 Base-Backbone interact. energy: -1.089 local terms energy: -56.244742 where: bonds (distance) C4'-P energy: -10.829 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -10.385 flat angles P-C4'-P energy: -5.004 tors. eta vs tors. theta energy: -15.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -175.233485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.233485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.233485 (E_RNA) where: Base-Base interactions energy: -118.142 where: short stacking energy: -45.902 Base-Backbone interact. energy: -0.038 local terms energy: -57.053160 where: bonds (distance) C4'-P energy: -9.703 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -13.332 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: -13.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -74.469881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.469881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.469881 (E_RNA) where: Base-Base interactions energy: -31.040 where: short stacking energy: -18.879 Base-Backbone interact. energy: 0.397 local terms energy: -43.827297 where: bonds (distance) C4'-P energy: -9.919 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -12.309 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -1.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -74.252413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.252413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.252413 (E_RNA) where: Base-Base interactions energy: -32.294 where: short stacking energy: -27.376 Base-Backbone interact. energy: -0.035 local terms energy: -41.923309 where: bonds (distance) C4'-P energy: -9.914 bonds (distance) P-C4' energy: -12.635 flat angles C4'-P-C4' energy: -9.522 flat angles P-C4'-P energy: -8.110 tors. eta vs tors. theta energy: -1.742 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: 7 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -69.654791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.654791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.654791 (E_RNA) where: Base-Base interactions energy: -24.174 where: short stacking energy: -24.174 Base-Backbone interact. energy: -0.107 local terms energy: -45.373912 where: bonds (distance) C4'-P energy: -12.741 bonds (distance) P-C4' energy: -12.143 flat angles C4'-P-C4' energy: -10.655 flat angles P-C4'-P energy: -7.617 tors. eta vs tors. theta energy: -2.217 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: 9 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -191.411202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.411202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.411202 (E_RNA) where: Base-Base interactions energy: -129.303 where: short stacking energy: -57.772 Base-Backbone interact. energy: -0.100 local terms energy: -62.008432 where: bonds (distance) C4'-P energy: -11.809 bonds (distance) P-C4' energy: -10.015 flat angles C4'-P-C4' energy: -15.207 flat angles P-C4'-P energy: -6.951 tors. eta vs tors. theta energy: -18.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -190.588415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.588415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.588415 (E_RNA) where: Base-Base interactions energy: -126.538 where: short stacking energy: -51.226 Base-Backbone interact. energy: -0.003 local terms energy: -64.046928 where: bonds (distance) C4'-P energy: -13.391 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -13.321 flat angles P-C4'-P energy: -8.761 tors. eta vs tors. theta energy: -15.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -181.703823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.703823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.703823 (E_RNA) where: Base-Base interactions energy: -118.126 where: short stacking energy: -40.815 Base-Backbone interact. energy: -0.001 local terms energy: -63.577598 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -13.438 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -13.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -184.261588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.261588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.261588 (E_RNA) where: Base-Base interactions energy: -130.401 where: short stacking energy: -46.596 Base-Backbone interact. energy: -0.592 local terms energy: -53.268277 where: bonds (distance) C4'-P energy: -10.524 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -9.500 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -15.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -174.912223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.912223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.912223 (E_RNA) where: Base-Base interactions energy: -122.994 where: short stacking energy: -34.203 Base-Backbone interact. energy: -0.868 local terms energy: -51.050057 where: bonds (distance) C4'-P energy: -12.095 bonds (distance) P-C4' energy: -10.735 flat angles C4'-P-C4' energy: -10.654 flat angles P-C4'-P energy: -8.845 tors. eta vs tors. theta energy: -8.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -180.585567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.585567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.585567 (E_RNA) where: Base-Base interactions energy: -124.457 where: short stacking energy: -45.560 Base-Backbone interact. energy: -0.013 local terms energy: -56.115475 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -11.476 flat angles C4'-P-C4' energy: -13.431 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: -10.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -167.326216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.326216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.326216 (E_RNA) where: Base-Base interactions energy: -109.810 where: short stacking energy: -46.920 Base-Backbone interact. energy: -0.607 local terms energy: -56.909792 where: bonds (distance) C4'-P energy: -14.903 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -12.107 flat angles P-C4'-P energy: -6.549 tors. eta vs tors. theta energy: -13.394 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: 1 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -101.239548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.239548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.239548 (E_RNA) where: Base-Base interactions energy: -57.413 where: short stacking energy: -19.057 Base-Backbone interact. energy: -0.077 local terms energy: -43.750170 where: bonds (distance) C4'-P energy: -8.630 bonds (distance) P-C4' energy: -13.773 flat angles C4'-P-C4' energy: -9.760 flat angles P-C4'-P energy: -9.753 tors. eta vs tors. theta energy: -1.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -70.698165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.698165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.698165 (E_RNA) where: Base-Base interactions energy: -27.154 where: short stacking energy: -27.154 Base-Backbone interact. energy: -0.277 local terms energy: -43.266858 where: bonds (distance) C4'-P energy: -12.092 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -13.027 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: -2.332 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: 3 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -61.342376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.342376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.342376 (E_RNA) where: Base-Base interactions energy: -18.006 where: short stacking energy: -18.006 Base-Backbone interact. energy: -1.102 local terms energy: -42.234122 where: bonds (distance) C4'-P energy: -9.645 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -11.530 flat angles P-C4'-P energy: -7.825 tors. eta vs tors. theta energy: 0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -190.075637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.075637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.075637 (E_RNA) where: Base-Base interactions energy: -124.702 where: short stacking energy: -58.403 Base-Backbone interact. energy: -0.001 local terms energy: -65.373228 where: bonds (distance) C4'-P energy: -10.469 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -14.895 flat angles P-C4'-P energy: -9.727 tors. eta vs tors. theta energy: -16.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -180.310084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.310084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.310084 (E_RNA) where: Base-Base interactions energy: -122.237 where: short stacking energy: -49.625 Base-Backbone interact. energy: -0.098 local terms energy: -57.974833 where: bonds (distance) C4'-P energy: -9.599 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -13.911 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -15.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -178.890708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.890708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.890708 (E_RNA) where: Base-Base interactions energy: -120.931 where: short stacking energy: -45.805 Base-Backbone interact. energy: -0.054 local terms energy: -57.904978 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -11.529 flat angles P-C4'-P energy: -8.521 tors. eta vs tors. theta energy: -11.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -180.944326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.944326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.944326 (E_RNA) where: Base-Base interactions energy: -124.019 where: short stacking energy: -38.974 Base-Backbone interact. energy: -0.580 local terms energy: -56.345411 where: bonds (distance) C4'-P energy: -10.548 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -13.452 flat angles P-C4'-P energy: -7.664 tors. eta vs tors. theta energy: -10.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -175.770864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.770864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.770864 (E_RNA) where: Base-Base interactions energy: -117.926 where: short stacking energy: -46.121 Base-Backbone interact. energy: -1.388 local terms energy: -56.456584 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -12.104 flat angles C4'-P-C4' energy: -12.068 flat angles P-C4'-P energy: -9.454 tors. eta vs tors. theta energy: -10.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -173.038602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.038602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.038602 (E_RNA) where: Base-Base interactions energy: -112.935 where: short stacking energy: -44.237 Base-Backbone interact. energy: -0.354 local terms energy: -59.748826 where: bonds (distance) C4'-P energy: -14.208 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -11.892 flat angles P-C4'-P energy: -4.260 tors. eta vs tors. theta energy: -14.286 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: 10 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -177.112729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.112729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.112729 (E_RNA) where: Base-Base interactions energy: -121.528 where: short stacking energy: -53.240 Base-Backbone interact. energy: -0.150 local terms energy: -55.435206 where: bonds (distance) C4'-P energy: -9.338 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -13.991 flat angles P-C4'-P energy: -5.761 tors. eta vs tors. theta energy: -12.999 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: 7 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -68.382557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.382557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.382557 (E_RNA) where: Base-Base interactions energy: -27.032 where: short stacking energy: -27.032 Base-Backbone interact. energy: -0.002 local terms energy: -41.348009 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -11.495 flat angles C4'-P-C4' energy: -11.528 flat angles P-C4'-P energy: -3.600 tors. eta vs tors. theta energy: -2.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -97.921515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.921515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.921515 (E_RNA) where: Base-Base interactions energy: -62.286 where: short stacking energy: -24.601 Base-Backbone interact. energy: -0.208 local terms energy: -35.427609 where: bonds (distance) C4'-P energy: -10.999 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -2.826 flat angles P-C4'-P energy: -9.761 tors. eta vs tors. theta energy: 1.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -63.706921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.706921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.706921 (E_RNA) where: Base-Base interactions energy: -33.340 where: short stacking energy: -12.200 Base-Backbone interact. energy: -0.235 local terms energy: -30.132376 where: bonds (distance) C4'-P energy: -7.680 bonds (distance) P-C4' energy: -10.638 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -0.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -190.171877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.171877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.171877 (E_RNA) where: Base-Base interactions energy: -132.481 where: short stacking energy: -48.417 Base-Backbone interact. energy: -0.035 local terms energy: -57.655584 where: bonds (distance) C4'-P energy: -11.863 bonds (distance) P-C4' energy: -10.555 flat angles C4'-P-C4' energy: -12.711 flat angles P-C4'-P energy: -8.697 tors. eta vs tors. theta energy: -13.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -183.293714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.293714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.293714 (E_RNA) where: Base-Base interactions energy: -118.869 where: short stacking energy: -52.455 Base-Backbone interact. energy: -1.187 local terms energy: -63.236861 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -13.919 flat angles P-C4'-P energy: -8.359 tors. eta vs tors. theta energy: -14.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -185.130438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.130438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.130438 (E_RNA) where: Base-Base interactions energy: -127.462 where: short stacking energy: -54.177 Base-Backbone interact. energy: -0.025 local terms energy: -57.643735 where: bonds (distance) C4'-P energy: -12.208 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -11.022 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: -15.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -175.000971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.000971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.000971 (E_RNA) where: Base-Base interactions energy: -117.730 where: short stacking energy: -46.728 Base-Backbone interact. energy: -1.281 local terms energy: -55.990380 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -12.533 flat angles C4'-P-C4' energy: -13.289 flat angles P-C4'-P energy: -7.464 tors. eta vs tors. theta energy: -15.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -180.813184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.813184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.813184 (E_RNA) where: Base-Base interactions energy: -134.869 where: short stacking energy: -44.960 Base-Backbone interact. energy: -0.129 local terms energy: -45.815038 where: bonds (distance) C4'-P energy: -7.087 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -10.896 flat angles P-C4'-P energy: -6.368 tors. eta vs tors. theta energy: -12.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -177.363578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.363578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.363578 (E_RNA) where: Base-Base interactions energy: -121.820 where: short stacking energy: -48.969 Base-Backbone interact. energy: -0.361 local terms energy: -55.182732 where: bonds (distance) C4'-P energy: -13.073 bonds (distance) P-C4' energy: -9.371 flat angles C4'-P-C4' energy: -11.099 flat angles P-C4'-P energy: -8.751 tors. eta vs tors. theta energy: -12.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -165.545499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.545499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.545499 (E_RNA) where: Base-Base interactions energy: -117.366 where: short stacking energy: -46.902 Base-Backbone interact. energy: -0.176 local terms energy: -48.003754 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -11.319 flat angles C4'-P-C4' energy: -11.693 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -13.312 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: 7 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -68.006727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.006727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.006727 (E_RNA) where: Base-Base interactions energy: -26.219 where: short stacking energy: -24.693 Base-Backbone interact. energy: -0.113 local terms energy: -41.674394 where: bonds (distance) C4'-P energy: -7.460 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -10.260 flat angles P-C4'-P energy: -6.854 tors. eta vs tors. theta energy: -4.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -70.726411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.726411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.726411 (E_RNA) where: Base-Base interactions energy: -27.008 where: short stacking energy: -27.008 Base-Backbone interact. energy: -0.007 local terms energy: -43.711693 where: bonds (distance) C4'-P energy: -11.570 bonds (distance) P-C4' energy: -8.741 flat angles C4'-P-C4' energy: -11.361 flat angles P-C4'-P energy: -7.671 tors. eta vs tors. theta energy: -4.368 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: 1 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -62.379854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.379854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.379854 (E_RNA) where: Base-Base interactions energy: -28.093 where: short stacking energy: -22.016 Base-Backbone interact. energy: -0.193 local terms energy: -34.093671 where: bonds (distance) C4'-P energy: -11.624 bonds (distance) P-C4' energy: -10.810 flat angles C4'-P-C4' energy: -7.674 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: 1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -192.936715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.936715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.936715 (E_RNA) where: Base-Base interactions energy: -132.042 where: short stacking energy: -51.104 Base-Backbone interact. energy: 0.763 local terms energy: -61.657387 where: bonds (distance) C4'-P energy: -11.454 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -11.346 flat angles P-C4'-P energy: -8.653 tors. eta vs tors. theta energy: -15.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -183.917878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.917878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.917878 (E_RNA) where: Base-Base interactions energy: -130.295 where: short stacking energy: -49.015 Base-Backbone interact. energy: -0.144 local terms energy: -53.478963 where: bonds (distance) C4'-P energy: -13.193 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -11.411 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -9.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -181.091722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.091722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.091722 (E_RNA) where: Base-Base interactions energy: -116.962 where: short stacking energy: -49.008 Base-Backbone interact. energy: -0.108 local terms energy: -64.021867 where: bonds (distance) C4'-P energy: -13.842 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -6.922 tors. eta vs tors. theta energy: -15.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -177.906620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.906620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.906620 (E_RNA) where: Base-Base interactions energy: -123.556 where: short stacking energy: -41.349 Base-Backbone interact. energy: -0.005 local terms energy: -54.345748 where: bonds (distance) C4'-P energy: -12.414 bonds (distance) P-C4' energy: -14.278 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -14.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -180.057497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.057497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.057497 (E_RNA) where: Base-Base interactions energy: -121.850 where: short stacking energy: -47.963 Base-Backbone interact. energy: -0.702 local terms energy: -57.506146 where: bonds (distance) C4'-P energy: -8.646 bonds (distance) P-C4' energy: -11.886 flat angles C4'-P-C4' energy: -14.239 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -13.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -166.681429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.681429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.681429 (E_RNA) where: Base-Base interactions energy: -112.585 where: short stacking energy: -45.120 Base-Backbone interact. energy: -0.000 local terms energy: -54.096025 where: bonds (distance) C4'-P energy: -8.069 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -7.692 flat angles P-C4'-P energy: -8.192 tors. eta vs tors. theta energy: -15.543 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: 7, replica: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -164.835159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.835159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.835159 (E_RNA) where: Base-Base interactions energy: -112.755 where: short stacking energy: -43.067 Base-Backbone interact. energy: -0.725 local terms energy: -51.355257 where: bonds (distance) C4'-P energy: -9.980 bonds (distance) P-C4' energy: -10.303 flat angles C4'-P-C4' energy: -10.481 flat angles P-C4'-P energy: -9.325 tors. eta vs tors. theta energy: -11.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -71.516783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.516783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.516783 (E_RNA) where: Base-Base interactions energy: -29.047 where: short stacking energy: -29.047 Base-Backbone interact. energy: -0.103 local terms energy: -42.366064 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -9.803 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -8.106 tors. eta vs tors. theta energy: -5.841 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: 9, replica: 7 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -69.118415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.118415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.118415 (E_RNA) where: Base-Base interactions energy: -25.450 where: short stacking energy: -25.450 Base-Backbone interact. energy: -0.034 local terms energy: -43.633880 where: bonds (distance) C4'-P energy: -11.346 bonds (distance) P-C4' energy: -10.754 flat angles C4'-P-C4' energy: -11.212 flat angles P-C4'-P energy: -6.089 tors. eta vs tors. theta energy: -4.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -61.213555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.213555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.213555 (E_RNA) where: Base-Base interactions energy: -24.042 where: short stacking energy: -19.450 Base-Backbone interact. energy: -0.059 local terms energy: -37.112455 where: bonds (distance) C4'-P energy: -8.312 bonds (distance) P-C4' energy: -12.523 flat angles C4'-P-C4' energy: -9.893 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -2.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -193.274614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.274614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.274614 (E_RNA) where: Base-Base interactions energy: -129.566 where: short stacking energy: -51.628 Base-Backbone interact. energy: -0.728 local terms energy: -62.980008 where: bonds (distance) C4'-P energy: -11.242 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -12.833 flat angles P-C4'-P energy: -9.416 tors. eta vs tors. theta energy: -16.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -186.609533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.609533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.609533 (E_RNA) where: Base-Base interactions energy: -125.892 where: short stacking energy: -49.279 Base-Backbone interact. energy: -0.072 local terms energy: -60.645473 where: bonds (distance) C4'-P energy: -13.160 bonds (distance) P-C4' energy: -9.351 flat angles C4'-P-C4' energy: -13.075 flat angles P-C4'-P energy: -9.195 tors. eta vs tors. theta energy: -15.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -183.951302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.951302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.951302 (E_RNA) where: Base-Base interactions energy: -123.555 where: short stacking energy: -49.150 Base-Backbone interact. energy: -0.087 local terms energy: -60.309018 where: bonds (distance) C4'-P energy: -11.954 bonds (distance) P-C4' energy: -12.585 flat angles C4'-P-C4' energy: -11.620 flat angles P-C4'-P energy: -9.341 tors. eta vs tors. theta energy: -14.809 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: 9 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -169.004837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.004837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.004837 (E_RNA) where: Base-Base interactions energy: -111.362 where: short stacking energy: -42.876 Base-Backbone interact. energy: -0.017 local terms energy: -57.625049 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -13.495 flat angles P-C4'-P energy: -7.094 tors. eta vs tors. theta energy: -10.238 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: 8 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -174.741118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.741118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.741118 (E_RNA) where: Base-Base interactions energy: -118.548 where: short stacking energy: -45.863 Base-Backbone interact. energy: -0.077 local terms energy: -56.116072 where: bonds (distance) C4'-P energy: -10.042 bonds (distance) P-C4' energy: -12.986 flat angles C4'-P-C4' energy: -10.392 flat angles P-C4'-P energy: -8.411 tors. eta vs tors. theta energy: -14.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -172.485033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.485033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.485033 (E_RNA) where: Base-Base interactions energy: -120.512 where: short stacking energy: -50.269 Base-Backbone interact. energy: -0.161 local terms energy: -51.812085 where: bonds (distance) C4'-P energy: -10.999 bonds (distance) P-C4' energy: -11.719 flat angles C4'-P-C4' energy: -8.750 flat angles P-C4'-P energy: -6.843 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: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -166.090648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.090648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.090648 (E_RNA) where: Base-Base interactions energy: -107.302 where: short stacking energy: -45.674 Base-Backbone interact. energy: 0.477 local terms energy: -59.265865 where: bonds (distance) C4'-P energy: -11.074 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -14.777 flat angles P-C4'-P energy: -4.671 tors. eta vs tors. theta energy: -15.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -74.505157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.505157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.505157 (E_RNA) where: Base-Base interactions energy: -32.965 where: short stacking energy: -32.965 Base-Backbone interact. energy: -0.005 local terms energy: -41.535000 where: bonds (distance) C4'-P energy: -13.165 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -6.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -65.915172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.915172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.915172 (E_RNA) where: Base-Base interactions energy: -18.553 where: short stacking energy: -18.553 Base-Backbone interact. energy: 0.672 local terms energy: -48.033678 where: bonds (distance) C4'-P energy: -10.743 bonds (distance) P-C4' energy: -11.249 flat angles C4'-P-C4' energy: -11.701 flat angles P-C4'-P energy: -9.235 tors. eta vs tors. theta energy: -5.106 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: 234 Temperature: 1.350000 Total energy: -61.208689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.208689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.208689 (E_RNA) where: Base-Base interactions energy: -24.211 where: short stacking energy: -18.730 Base-Backbone interact. energy: 0.014 local terms energy: -37.011892 where: bonds (distance) C4'-P energy: -10.274 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -9.644 flat angles P-C4'-P energy: -6.769 tors. eta vs tors. theta energy: -1.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -190.574165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.574165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.574165 (E_RNA) where: Base-Base interactions energy: -129.431 where: short stacking energy: -54.655 Base-Backbone interact. energy: -0.678 local terms energy: -60.465412 where: bonds (distance) C4'-P energy: -12.563 bonds (distance) P-C4' energy: -11.729 flat angles C4'-P-C4' energy: -13.269 flat angles P-C4'-P energy: -10.148 tors. eta vs tors. theta energy: -12.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -184.755618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.755618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.755618 (E_RNA) where: Base-Base interactions energy: -127.369 where: short stacking energy: -49.226 Base-Backbone interact. energy: -0.003 local terms energy: -57.383600 where: bonds (distance) C4'-P energy: -13.018 bonds (distance) P-C4' energy: -12.681 flat angles C4'-P-C4' energy: -12.971 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -14.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -179.863639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.863639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.863639 (E_RNA) where: Base-Base interactions energy: -118.149 where: short stacking energy: -48.458 Base-Backbone interact. energy: -0.005 local terms energy: -61.710297 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -13.124 flat angles P-C4'-P energy: -6.104 tors. eta vs tors. theta energy: -15.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -185.303260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.303260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.303260 (E_RNA) where: Base-Base interactions energy: -123.307 where: short stacking energy: -47.756 Base-Backbone interact. energy: -0.041 local terms energy: -61.954399 where: bonds (distance) C4'-P energy: -13.720 bonds (distance) P-C4' energy: -12.253 flat angles C4'-P-C4' energy: -12.822 flat angles P-C4'-P energy: -9.246 tors. eta vs tors. theta energy: -13.913 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: 5, replica: 9 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -181.005424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.005424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.005424 (E_RNA) where: Base-Base interactions energy: -124.448 where: short stacking energy: -51.607 Base-Backbone interact. energy: -0.033 local terms energy: -56.523752 where: bonds (distance) C4'-P energy: -9.617 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -13.998 flat angles P-C4'-P energy: -6.182 tors. eta vs tors. theta energy: -14.372 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: 6 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -168.132208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.132208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.132208 (E_RNA) where: Base-Base interactions energy: -113.996 where: short stacking energy: -43.381 Base-Backbone interact. energy: -0.033 local terms energy: -54.103270 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -10.148 flat angles C4'-P-C4' energy: -13.261 flat angles P-C4'-P energy: -7.142 tors. eta vs tors. theta energy: -12.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -171.255498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.255498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.255498 (E_RNA) where: Base-Base interactions energy: -117.087 where: short stacking energy: -44.671 Base-Backbone interact. energy: -0.008 local terms energy: -54.160187 where: bonds (distance) C4'-P energy: -9.201 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -14.548 flat angles P-C4'-P energy: -3.370 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: 8, replica: 1 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -74.756637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.756637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.756637 (E_RNA) where: Base-Base interactions energy: -25.659 where: short stacking energy: -25.659 Base-Backbone interact. energy: 0.429 local terms energy: -49.526581 where: bonds (distance) C4'-P energy: -11.239 bonds (distance) P-C4' energy: -9.880 flat angles C4'-P-C4' energy: -12.523 flat angles P-C4'-P energy: -9.352 tors. eta vs tors. theta energy: -6.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -72.602426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.602426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.602426 (E_RNA) where: Base-Base interactions energy: -26.752 where: short stacking energy: -26.752 Base-Backbone interact. energy: -0.012 local terms energy: -45.838995 where: bonds (distance) C4'-P energy: -11.675 bonds (distance) P-C4' energy: -10.844 flat angles C4'-P-C4' energy: -8.035 flat angles P-C4'-P energy: -6.142 tors. eta vs tors. theta energy: -9.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -60.013188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.013188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.013188 (E_RNA) where: Base-Base interactions energy: -23.658 where: short stacking energy: -16.526 Base-Backbone interact. energy: 0.141 local terms energy: -36.496318 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -12.617 flat angles C4'-P-C4' energy: -8.507 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -191.055184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.055184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.055184 (E_RNA) where: Base-Base interactions energy: -130.537 where: short stacking energy: -55.008 Base-Backbone interact. energy: -0.551 local terms energy: -59.966872 where: bonds (distance) C4'-P energy: -11.545 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -6.557 tors. eta vs tors. theta energy: -14.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -185.667809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.667809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.667809 (E_RNA) where: Base-Base interactions energy: -128.440 where: short stacking energy: -54.003 Base-Backbone interact. energy: -0.174 local terms energy: -57.053935 where: bonds (distance) C4'-P energy: -11.463 bonds (distance) P-C4' energy: -10.296 flat angles C4'-P-C4' energy: -11.149 flat angles P-C4'-P energy: -8.247 tors. eta vs tors. theta energy: -15.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -180.681484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.681484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.681484 (E_RNA) where: Base-Base interactions energy: -123.323 where: short stacking energy: -49.900 Base-Backbone interact. energy: -0.899 local terms energy: -56.460046 where: bonds (distance) C4'-P energy: -11.657 bonds (distance) P-C4' energy: -9.453 flat angles C4'-P-C4' energy: -13.561 flat angles P-C4'-P energy: -8.905 tors. eta vs tors. theta energy: -12.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -191.314713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.314713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.314713 (E_RNA) where: Base-Base interactions energy: -129.548 where: short stacking energy: -54.200 Base-Backbone interact. energy: -0.001 local terms energy: -61.766128 where: bonds (distance) C4'-P energy: -9.484 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -12.127 flat angles P-C4'-P energy: -10.963 tors. eta vs tors. theta energy: -15.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -177.243502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.243502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.243502 (E_RNA) where: Base-Base interactions energy: -115.968 where: short stacking energy: -47.217 Base-Backbone interact. energy: -0.068 local terms energy: -61.207768 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -14.769 flat angles P-C4'-P energy: -7.989 tors. eta vs tors. theta energy: -14.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -166.321717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.321717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.321717 (E_RNA) where: Base-Base interactions energy: -122.857 where: short stacking energy: -42.076 Base-Backbone interact. energy: -0.710 local terms energy: -42.754834 where: bonds (distance) C4'-P energy: -2.542 bonds (distance) P-C4' energy: -10.280 flat angles C4'-P-C4' energy: -14.755 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -10.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -166.644600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.644600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.644600 (E_RNA) where: Base-Base interactions energy: -115.803 where: short stacking energy: -41.825 Base-Backbone interact. energy: -0.645 local terms energy: -50.196437 where: bonds (distance) C4'-P energy: -11.533 bonds (distance) P-C4' energy: -13.537 flat angles C4'-P-C4' energy: -8.559 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -10.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -65.254385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.254385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.254385 (E_RNA) where: Base-Base interactions energy: -23.822 where: short stacking energy: -20.816 Base-Backbone interact. energy: -0.049 local terms energy: -41.383748 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -7.399 flat angles C4'-P-C4' energy: -14.090 flat angles P-C4'-P energy: -7.424 tors. eta vs tors. theta energy: 0.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -76.395096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.395096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.395096 (E_RNA) where: Base-Base interactions energy: -37.672 where: short stacking energy: -22.666 Base-Backbone interact. energy: -0.311 local terms energy: -38.412379 where: bonds (distance) C4'-P energy: -10.767 bonds (distance) P-C4' energy: -11.429 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -4.956 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: 10, replica: 3 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -64.734578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.734578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.734578 (E_RNA) where: Base-Base interactions energy: -24.796 where: short stacking energy: -24.796 Base-Backbone interact. energy: 1.896 local terms energy: -41.834097 where: bonds (distance) C4'-P energy: -12.742 bonds (distance) P-C4' energy: -10.189 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -2.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -186.570085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.570085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.570085 (E_RNA) where: Base-Base interactions energy: -123.672 where: short stacking energy: -48.778 Base-Backbone interact. energy: -0.157 local terms energy: -62.741255 where: bonds (distance) C4'-P energy: -12.928 bonds (distance) P-C4' energy: -12.026 flat angles C4'-P-C4' energy: -14.632 flat angles P-C4'-P energy: -7.466 tors. eta vs tors. theta energy: -15.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -186.750637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.750637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.750637 (E_RNA) where: Base-Base interactions energy: -123.943 where: short stacking energy: -51.250 Base-Backbone interact. energy: -0.295 local terms energy: -62.512297 where: bonds (distance) C4'-P energy: -12.322 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -10.141 tors. eta vs tors. theta energy: -14.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -180.380475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.380475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.380475 (E_RNA) where: Base-Base interactions energy: -121.840 where: short stacking energy: -47.916 Base-Backbone interact. energy: -0.008 local terms energy: -58.532951 where: bonds (distance) C4'-P energy: -11.119 bonds (distance) P-C4' energy: -14.530 flat angles C4'-P-C4' energy: -11.221 flat angles P-C4'-P energy: -7.910 tors. eta vs tors. theta energy: -13.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -176.417968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.417968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.417968 (E_RNA) where: Base-Base interactions energy: -118.005 where: short stacking energy: -50.305 Base-Backbone interact. energy: -0.093 local terms energy: -58.319934 where: bonds (distance) C4'-P energy: -13.180 bonds (distance) P-C4' energy: -10.223 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -9.254 tors. eta vs tors. theta energy: -11.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -172.626224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.626224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.626224 (E_RNA) where: Base-Base interactions energy: -120.296 where: short stacking energy: -46.595 Base-Backbone interact. energy: -0.723 local terms energy: -51.607705 where: bonds (distance) C4'-P energy: -8.632 bonds (distance) P-C4' energy: -14.459 flat angles C4'-P-C4' energy: -12.086 flat angles P-C4'-P energy: -2.199 tors. eta vs tors. theta energy: -14.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -178.383253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.383253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.383253 (E_RNA) where: Base-Base interactions energy: -116.111 where: short stacking energy: -46.945 Base-Backbone interact. energy: -0.000 local terms energy: -62.272001 where: bonds (distance) C4'-P energy: -12.697 bonds (distance) P-C4' energy: -10.979 flat angles C4'-P-C4' energy: -11.937 flat angles P-C4'-P energy: -11.770 tors. eta vs tors. theta energy: -14.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -172.902438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.902438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.902438 (E_RNA) where: Base-Base interactions energy: -116.179 where: short stacking energy: -46.014 Base-Backbone interact. energy: -0.002 local terms energy: -56.720595 where: bonds (distance) C4'-P energy: -11.499 bonds (distance) P-C4' energy: -13.678 flat angles C4'-P-C4' energy: -11.204 flat angles P-C4'-P energy: -7.071 tors. eta vs tors. theta energy: -13.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -71.169648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.169648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.169648 (E_RNA) where: Base-Base interactions energy: -30.637 where: short stacking energy: -30.637 Base-Backbone interact. energy: -0.110 local terms energy: -40.422285 where: bonds (distance) C4'-P energy: -8.639 bonds (distance) P-C4' energy: -11.179 flat angles C4'-P-C4' energy: -8.632 flat angles P-C4'-P energy: -8.178 tors. eta vs tors. theta energy: -3.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -68.668303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.668303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.668303 (E_RNA) where: Base-Base interactions energy: -30.049 where: short stacking energy: -28.121 Base-Backbone interact. energy: -0.063 local terms energy: -38.556618 where: bonds (distance) C4'-P energy: -5.206 bonds (distance) P-C4' energy: -14.110 flat angles C4'-P-C4' energy: -10.599 flat angles P-C4'-P energy: -8.046 tors. eta vs tors. theta energy: -0.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -66.267790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.267790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.267790 (E_RNA) where: Base-Base interactions energy: -31.927 where: short stacking energy: -26.712 Base-Backbone interact. energy: -0.029 local terms energy: -34.312536 where: bonds (distance) C4'-P energy: -9.955 bonds (distance) P-C4' energy: -5.992 flat angles C4'-P-C4' energy: -11.153 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -191.031109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.031109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.031109 (E_RNA) where: Base-Base interactions energy: -127.063 where: short stacking energy: -47.252 Base-Backbone interact. energy: -0.746 local terms energy: -63.221637 where: bonds (distance) C4'-P energy: -11.905 bonds (distance) P-C4' energy: -11.785 flat angles C4'-P-C4' energy: -13.189 flat angles P-C4'-P energy: -11.666 tors. eta vs tors. theta energy: -14.677 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: 4 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -185.674369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.674369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.674369 (E_RNA) where: Base-Base interactions energy: -128.354 where: short stacking energy: -50.201 Base-Backbone interact. energy: 0.324 local terms energy: -57.643882 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -11.094 flat angles C4'-P-C4' energy: -13.606 flat angles P-C4'-P energy: -8.677 tors. eta vs tors. theta energy: -11.608 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: 2 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -182.369743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.369743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.369743 (E_RNA) where: Base-Base interactions energy: -130.342 where: short stacking energy: -55.446 Base-Backbone interact. energy: -0.001 local terms energy: -52.027473 where: bonds (distance) C4'-P energy: -8.142 bonds (distance) P-C4' energy: -12.119 flat angles C4'-P-C4' energy: -11.556 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -15.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -181.599861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.599861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.599861 (E_RNA) where: Base-Base interactions energy: -122.293 where: short stacking energy: -46.849 Base-Backbone interact. energy: -0.000 local terms energy: -59.306313 where: bonds (distance) C4'-P energy: -10.253 bonds (distance) P-C4' energy: -11.922 flat angles C4'-P-C4' energy: -14.194 flat angles P-C4'-P energy: -8.486 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: 5, replica: 10 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -177.955117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.955117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.955117 (E_RNA) where: Base-Base interactions energy: -118.663 where: short stacking energy: -48.380 Base-Backbone interact. energy: -0.507 local terms energy: -58.784958 where: bonds (distance) C4'-P energy: -11.586 bonds (distance) P-C4' energy: -13.045 flat angles C4'-P-C4' energy: -11.486 flat angles P-C4'-P energy: -8.609 tors. eta vs tors. theta energy: -14.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -170.637843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.637843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.637843 (E_RNA) where: Base-Base interactions energy: -118.939 where: short stacking energy: -50.799 Base-Backbone interact. energy: -0.049 local terms energy: -51.649674 where: bonds (distance) C4'-P energy: -10.560 bonds (distance) P-C4' energy: -7.432 flat angles C4'-P-C4' energy: -12.274 flat angles P-C4'-P energy: -8.045 tors. eta vs tors. theta energy: -13.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -170.942159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.942159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.942159 (E_RNA) where: Base-Base interactions energy: -115.967 where: short stacking energy: -40.234 Base-Backbone interact. energy: -0.123 local terms energy: -54.852265 where: bonds (distance) C4'-P energy: -12.045 bonds (distance) P-C4' energy: -12.457 flat angles C4'-P-C4' energy: -12.533 flat angles P-C4'-P energy: -8.703 tors. eta vs tors. theta energy: -9.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -63.406422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.406422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.406422 (E_RNA) where: Base-Base interactions energy: -17.354 where: short stacking energy: -16.385 Base-Backbone interact. energy: 0.136 local terms energy: -46.188921 where: bonds (distance) C4'-P energy: -12.066 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -13.289 flat angles P-C4'-P energy: -7.517 tors. eta vs tors. theta energy: 1.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -73.182688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.182688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.182688 (E_RNA) where: Base-Base interactions energy: -39.855 where: short stacking energy: -24.880 Base-Backbone interact. energy: -0.206 local terms energy: -33.121324 where: bonds (distance) C4'-P energy: -10.108 bonds (distance) P-C4' energy: -8.557 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -6.149 tors. eta vs tors. theta energy: -1.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -79.693271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.693271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.693271 (E_RNA) where: Base-Base interactions energy: -41.640 where: short stacking energy: -22.397 Base-Backbone interact. energy: 0.296 local terms energy: -38.349203 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -9.270 flat angles P-C4'-P energy: 0.660 tors. eta vs tors. theta energy: -4.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -187.087606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.087606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.087606 (E_RNA) where: Base-Base interactions energy: -128.676 where: short stacking energy: -49.030 Base-Backbone interact. energy: -0.063 local terms energy: -58.348030 where: bonds (distance) C4'-P energy: -10.407 bonds (distance) P-C4' energy: -10.140 flat angles C4'-P-C4' energy: -14.579 flat angles P-C4'-P energy: -9.070 tors. eta vs tors. theta energy: -14.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -184.814271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.814271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.814271 (E_RNA) where: Base-Base interactions energy: -132.781 where: short stacking energy: -47.909 Base-Backbone interact. energy: 1.112 local terms energy: -53.144877 where: bonds (distance) C4'-P energy: -12.729 bonds (distance) P-C4' energy: -8.111 flat angles C4'-P-C4' energy: -11.534 flat angles P-C4'-P energy: -6.622 tors. eta vs tors. theta energy: -14.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -183.466530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.466530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.466530 (E_RNA) where: Base-Base interactions energy: -126.299 where: short stacking energy: -54.027 Base-Backbone interact. energy: -0.721 local terms energy: -56.446457 where: bonds (distance) C4'-P energy: -12.563 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -14.403 flat angles P-C4'-P energy: -9.438 tors. eta vs tors. theta energy: -13.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -177.805819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.805819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.805819 (E_RNA) where: Base-Base interactions energy: -124.511 where: short stacking energy: -44.903 Base-Backbone interact. energy: -0.002 local terms energy: -53.292159 where: bonds (distance) C4'-P energy: -7.158 bonds (distance) P-C4' energy: -12.596 flat angles C4'-P-C4' energy: -13.628 flat angles P-C4'-P energy: -6.529 tors. eta vs tors. theta energy: -13.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -173.340904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.340904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.340904 (E_RNA) where: Base-Base interactions energy: -118.988 where: short stacking energy: -46.644 Base-Backbone interact. energy: -0.024 local terms energy: -54.328906 where: bonds (distance) C4'-P energy: -7.853 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -10.242 flat angles P-C4'-P energy: -8.932 tors. eta vs tors. theta energy: -14.397 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: 239 Temperature: 1.150000 Total energy: -173.553705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.553705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.553705 (E_RNA) where: Base-Base interactions energy: -115.465 where: short stacking energy: -42.320 Base-Backbone interact. energy: -0.683 local terms energy: -57.405459 where: bonds (distance) C4'-P energy: -7.793 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -11.300 flat angles P-C4'-P energy: -7.799 tors. eta vs tors. theta energy: -16.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -168.692844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.692844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.692844 (E_RNA) where: Base-Base interactions energy: -111.610 where: short stacking energy: -44.911 Base-Backbone interact. energy: -0.001 local terms energy: -57.081878 where: bonds (distance) C4'-P energy: -11.877 bonds (distance) P-C4' energy: -11.026 flat angles C4'-P-C4' energy: -13.771 flat angles P-C4'-P energy: -8.479 tors. eta vs tors. theta energy: -11.929 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: 3 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -137.708969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.708969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.708969 (E_RNA) where: Base-Base interactions energy: -90.443 where: short stacking energy: -34.649 Base-Backbone interact. energy: -0.123 local terms energy: -47.143057 where: bonds (distance) C4'-P energy: -9.210 bonds (distance) P-C4' energy: -10.592 flat angles C4'-P-C4' energy: -12.338 flat angles P-C4'-P energy: -9.299 tors. eta vs tors. theta energy: -5.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -70.138417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.138417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.138417 (E_RNA) where: Base-Base interactions energy: -31.817 where: short stacking energy: -22.395 Base-Backbone interact. energy: -0.258 local terms energy: -38.064129 where: bonds (distance) C4'-P energy: -10.983 bonds (distance) P-C4' energy: -9.102 flat angles C4'-P-C4' energy: -9.486 flat angles P-C4'-P energy: -10.222 tors. eta vs tors. theta energy: 1.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -66.568099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.568099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.568099 (E_RNA) where: Base-Base interactions energy: -26.107 where: short stacking energy: -23.713 Base-Backbone interact. energy: -0.044 local terms energy: -40.416646 where: bonds (distance) C4'-P energy: -7.699 bonds (distance) P-C4' energy: -12.120 flat angles C4'-P-C4' energy: -13.233 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -3.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -187.350817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.350817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.350817 (E_RNA) where: Base-Base interactions energy: -125.765 where: short stacking energy: -53.532 Base-Backbone interact. energy: -0.012 local terms energy: -61.573755 where: bonds (distance) C4'-P energy: -14.439 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -9.849 flat angles P-C4'-P energy: -9.726 tors. eta vs tors. theta energy: -12.900 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: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -185.763128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.763128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.763128 (E_RNA) where: Base-Base interactions energy: -120.715 where: short stacking energy: -45.592 Base-Backbone interact. energy: -0.025 local terms energy: -65.023651 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -11.593 flat angles P-C4'-P energy: -10.144 tors. eta vs tors. theta energy: -16.339 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: 10 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -188.281720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.281720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.281720 (E_RNA) where: Base-Base interactions energy: -125.926 where: short stacking energy: -49.530 Base-Backbone interact. energy: -0.102 local terms energy: -62.253764 where: bonds (distance) C4'-P energy: -13.019 bonds (distance) P-C4' energy: -13.672 flat angles C4'-P-C4' energy: -10.976 flat angles P-C4'-P energy: -8.706 tors. eta vs tors. theta energy: -15.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -178.152878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.152878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.152878 (E_RNA) where: Base-Base interactions energy: -118.703 where: short stacking energy: -42.176 Base-Backbone interact. energy: -0.098 local terms energy: -59.350994 where: bonds (distance) C4'-P energy: -9.032 bonds (distance) P-C4' energy: -14.545 flat angles C4'-P-C4' energy: -11.975 flat angles P-C4'-P energy: -10.275 tors. eta vs tors. theta energy: -13.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -176.995649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.995649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.995649 (E_RNA) where: Base-Base interactions energy: -121.039 where: short stacking energy: -48.829 Base-Backbone interact. energy: -0.125 local terms energy: -55.832161 where: bonds (distance) C4'-P energy: -10.182 bonds (distance) P-C4' energy: -10.178 flat angles C4'-P-C4' energy: -12.857 flat angles P-C4'-P energy: -7.828 tors. eta vs tors. theta energy: -14.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -167.352937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.352937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.352937 (E_RNA) where: Base-Base interactions energy: -112.474 where: short stacking energy: -41.694 Base-Backbone interact. energy: -0.774 local terms energy: -54.104931 where: bonds (distance) C4'-P energy: -6.138 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -15.343 flat angles P-C4'-P energy: -9.479 tors. eta vs tors. theta energy: -10.722 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: 3 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -153.155095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.155095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.155095 (E_RNA) where: Base-Base interactions energy: -101.244 where: short stacking energy: -42.319 Base-Backbone interact. energy: -0.016 local terms energy: -51.895136 where: bonds (distance) C4'-P energy: -10.133 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -12.372 flat angles P-C4'-P energy: -7.586 tors. eta vs tors. theta energy: -7.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -158.093409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.093409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.093409 (E_RNA) where: Base-Base interactions energy: -111.776 where: short stacking energy: -42.294 Base-Backbone interact. energy: -0.135 local terms energy: -46.181699 where: bonds (distance) C4'-P energy: -11.587 bonds (distance) P-C4' energy: -10.118 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -5.368 tors. eta vs tors. theta energy: -11.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -69.975965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.975965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.975965 (E_RNA) where: Base-Base interactions energy: -23.394 where: short stacking energy: -22.957 Base-Backbone interact. energy: -0.365 local terms energy: -46.216931 where: bonds (distance) C4'-P energy: -8.734 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -9.036 flat angles P-C4'-P energy: -9.535 tors. eta vs tors. theta energy: -5.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -67.744487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.744487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.744487 (E_RNA) where: Base-Base interactions energy: -23.443 where: short stacking energy: -16.771 Base-Backbone interact. energy: 0.817 local terms energy: -45.118334 where: bonds (distance) C4'-P energy: -11.772 bonds (distance) P-C4' energy: -12.130 flat angles C4'-P-C4' energy: -11.033 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -4.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -183.771464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.771464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.771464 (E_RNA) where: Base-Base interactions energy: -127.973 where: short stacking energy: -55.690 Base-Backbone interact. energy: -0.002 local terms energy: -55.795867 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -11.433 flat angles C4'-P-C4' energy: -13.192 flat angles P-C4'-P energy: -8.439 tors. eta vs tors. theta energy: -16.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -181.660388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.660388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.660388 (E_RNA) where: Base-Base interactions energy: -124.470 where: short stacking energy: -42.177 Base-Backbone interact. energy: -0.139 local terms energy: -57.051642 where: bonds (distance) C4'-P energy: -12.621 bonds (distance) P-C4' energy: -11.275 flat angles C4'-P-C4' energy: -11.041 flat angles P-C4'-P energy: -7.552 tors. eta vs tors. theta energy: -14.563 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: 8 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -183.826854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.826854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.826854 (E_RNA) where: Base-Base interactions energy: -127.132 where: short stacking energy: -47.969 Base-Backbone interact. energy: -0.711 local terms energy: -55.984350 where: bonds (distance) C4'-P energy: -12.941 bonds (distance) P-C4' energy: -9.487 flat angles C4'-P-C4' energy: -11.323 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -13.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -182.299074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.299074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.299074 (E_RNA) where: Base-Base interactions energy: -120.557 where: short stacking energy: -49.165 Base-Backbone interact. energy: -0.004 local terms energy: -61.738631 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -11.562 flat angles C4'-P-C4' energy: -11.984 flat angles P-C4'-P energy: -9.936 tors. eta vs tors. theta energy: -16.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -173.714707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.714707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.714707 (E_RNA) where: Base-Base interactions energy: -116.380 where: short stacking energy: -51.203 Base-Backbone interact. energy: -0.509 local terms energy: -56.825751 where: bonds (distance) C4'-P energy: -11.960 bonds (distance) P-C4' energy: -8.764 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -9.778 tors. eta vs tors. theta energy: -13.785 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: 9 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -175.945575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.945575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.945575 (E_RNA) where: Base-Base interactions energy: -117.721 where: short stacking energy: -43.917 Base-Backbone interact. energy: -0.612 local terms energy: -57.612285 where: bonds (distance) C4'-P energy: -11.081 bonds (distance) P-C4' energy: -13.833 flat angles C4'-P-C4' energy: -12.631 flat angles P-C4'-P energy: -7.633 tors. eta vs tors. theta energy: -12.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -165.657068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.657068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.657068 (E_RNA) where: Base-Base interactions energy: -106.664 where: short stacking energy: -45.705 Base-Backbone interact. energy: -0.091 local terms energy: -58.902237 where: bonds (distance) C4'-P energy: -13.486 bonds (distance) P-C4' energy: -12.913 flat angles C4'-P-C4' energy: -11.035 flat angles P-C4'-P energy: -9.379 tors. eta vs tors. theta energy: -12.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -170.952027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.952027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.952027 (E_RNA) where: Base-Base interactions energy: -114.657 where: short stacking energy: -47.456 Base-Backbone interact. energy: -0.003 local terms energy: -56.292016 where: bonds (distance) C4'-P energy: -6.220 bonds (distance) P-C4' energy: -11.697 flat angles C4'-P-C4' energy: -11.800 flat angles P-C4'-P energy: -9.463 tors. eta vs tors. theta energy: -17.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -67.491576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.491576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.491576 (E_RNA) where: Base-Base interactions energy: -27.746 where: short stacking energy: -23.769 Base-Backbone interact. energy: -0.036 local terms energy: -39.709917 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -9.473 flat angles C4'-P-C4' energy: -10.371 flat angles P-C4'-P energy: -4.895 tors. eta vs tors. theta energy: -2.830 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: 10, replica: 1 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -70.547606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.547606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.547606 (E_RNA) where: Base-Base interactions energy: -30.102 where: short stacking energy: -12.791 Base-Backbone interact. energy: -0.348 local terms energy: -40.097035 where: bonds (distance) C4'-P energy: -12.096 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -8.907 flat angles P-C4'-P energy: -7.575 tors. eta vs tors. theta energy: -4.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -186.299894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.299894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.299894 (E_RNA) where: Base-Base interactions energy: -124.575 where: short stacking energy: -52.628 Base-Backbone interact. energy: -0.028 local terms energy: -61.697353 where: bonds (distance) C4'-P energy: -12.373 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -12.700 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -13.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -185.652800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.652800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.652800 (E_RNA) where: Base-Base interactions energy: -127.847 where: short stacking energy: -47.817 Base-Backbone interact. energy: -0.085 local terms energy: -57.721238 where: bonds (distance) C4'-P energy: -12.241 bonds (distance) P-C4' energy: -11.442 flat angles C4'-P-C4' energy: -13.111 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -16.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -183.918401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.918401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.918401 (E_RNA) where: Base-Base interactions energy: -127.551 where: short stacking energy: -48.820 Base-Backbone interact. energy: -0.266 local terms energy: -56.100859 where: bonds (distance) C4'-P energy: -10.821 bonds (distance) P-C4' energy: -11.821 flat angles C4'-P-C4' energy: -10.389 flat angles P-C4'-P energy: -6.819 tors. eta vs tors. theta energy: -16.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -176.027317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.027317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.027317 (E_RNA) where: Base-Base interactions energy: -121.739 where: short stacking energy: -51.703 Base-Backbone interact. energy: -0.003 local terms energy: -54.284942 where: bonds (distance) C4'-P energy: -10.660 bonds (distance) P-C4' energy: -12.056 flat angles C4'-P-C4' energy: -11.607 flat angles P-C4'-P energy: -6.542 tors. eta vs tors. theta energy: -13.420 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: 9 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -176.197900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.197900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.197900 (E_RNA) where: Base-Base interactions energy: -115.952 where: short stacking energy: -47.487 Base-Backbone interact. energy: -0.065 local terms energy: -60.181604 where: bonds (distance) C4'-P energy: -12.076 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -13.538 flat angles P-C4'-P energy: -5.847 tors. eta vs tors. theta energy: -14.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -174.916926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.916926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.916926 (E_RNA) where: Base-Base interactions energy: -113.713 where: short stacking energy: -47.131 Base-Backbone interact. energy: -0.003 local terms energy: -61.200421 where: bonds (distance) C4'-P energy: -12.175 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -13.537 flat angles P-C4'-P energy: -9.358 tors. eta vs tors. theta energy: -12.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -168.250610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.250610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.250610 (E_RNA) where: Base-Base interactions energy: -112.440 where: short stacking energy: -42.984 Base-Backbone interact. energy: -0.001 local terms energy: -55.809923 where: bonds (distance) C4'-P energy: -10.043 bonds (distance) P-C4' energy: -9.997 flat angles C4'-P-C4' energy: -14.315 flat angles P-C4'-P energy: -8.329 tors. eta vs tors. theta energy: -13.126 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: 3 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -161.597449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.597449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.597449 (E_RNA) where: Base-Base interactions energy: -105.397 where: short stacking energy: -45.817 Base-Backbone interact. energy: -0.020 local terms energy: -56.180712 where: bonds (distance) C4'-P energy: -9.740 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -11.892 flat angles P-C4'-P energy: -9.306 tors. eta vs tors. theta energy: -12.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -86.653239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.653239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.653239 (E_RNA) where: Base-Base interactions energy: -44.812 where: short stacking energy: -15.363 Base-Backbone interact. energy: -0.032 local terms energy: -41.809701 where: bonds (distance) C4'-P energy: -10.345 bonds (distance) P-C4' energy: -10.326 flat angles C4'-P-C4' energy: -9.095 flat angles P-C4'-P energy: -2.714 tors. eta vs tors. theta energy: -9.329 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: 242 Temperature: 1.350000 Total energy: -70.960474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.960474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.960474 (E_RNA) where: Base-Base interactions energy: -29.233 where: short stacking energy: -29.233 Base-Backbone interact. energy: -0.018 local terms energy: -41.708909 where: bonds (distance) C4'-P energy: -9.897 bonds (distance) P-C4' energy: -9.315 flat angles C4'-P-C4' energy: -10.979 flat angles P-C4'-P energy: -1.528 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: 243 Temperature: 0.900000 Total energy: -187.758801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.758801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.758801 (E_RNA) where: Base-Base interactions energy: -131.029 where: short stacking energy: -46.839 Base-Backbone interact. energy: -0.097 local terms energy: -56.632048 where: bonds (distance) C4'-P energy: -11.362 bonds (distance) P-C4' energy: -11.914 flat angles C4'-P-C4' energy: -13.816 flat angles P-C4'-P energy: -6.601 tors. eta vs tors. theta energy: -12.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -189.727015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.727015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.727015 (E_RNA) where: Base-Base interactions energy: -127.009 where: short stacking energy: -54.728 Base-Backbone interact. energy: -0.847 local terms energy: -61.870412 where: bonds (distance) C4'-P energy: -10.911 bonds (distance) P-C4' energy: -11.059 flat angles C4'-P-C4' energy: -11.719 flat angles P-C4'-P energy: -11.276 tors. eta vs tors. theta energy: -16.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -180.010522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.010522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.010522 (E_RNA) where: Base-Base interactions energy: -121.230 where: short stacking energy: -50.188 Base-Backbone interact. energy: -0.658 local terms energy: -58.122656 where: bonds (distance) C4'-P energy: -10.134 bonds (distance) P-C4' energy: -12.497 flat angles C4'-P-C4' energy: -13.557 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -15.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -186.291766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.291766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.291766 (E_RNA) where: Base-Base interactions energy: -129.467 where: short stacking energy: -49.373 Base-Backbone interact. energy: -0.000 local terms energy: -56.823903 where: bonds (distance) C4'-P energy: -10.055 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -14.010 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -14.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -180.278708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.278708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.278708 (E_RNA) where: Base-Base interactions energy: -120.852 where: short stacking energy: -46.327 Base-Backbone interact. energy: -0.024 local terms energy: -59.403273 where: bonds (distance) C4'-P energy: -12.108 bonds (distance) P-C4' energy: -11.184 flat angles C4'-P-C4' energy: -12.628 flat angles P-C4'-P energy: -9.584 tors. eta vs tors. theta energy: -13.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -177.270844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.270844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.270844 (E_RNA) where: Base-Base interactions energy: -121.778 where: short stacking energy: -49.085 Base-Backbone interact. energy: -0.109 local terms energy: -55.384647 where: bonds (distance) C4'-P energy: -10.121 bonds (distance) P-C4' energy: -10.976 flat angles C4'-P-C4' energy: -10.184 flat angles P-C4'-P energy: -8.058 tors. eta vs tors. theta energy: -16.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -168.549800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.549800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.549800 (E_RNA) where: Base-Base interactions energy: -113.091 where: short stacking energy: -42.932 Base-Backbone interact. energy: -0.255 local terms energy: -55.204030 where: bonds (distance) C4'-P energy: -11.437 bonds (distance) P-C4' energy: -11.393 flat angles C4'-P-C4' energy: -14.966 flat angles P-C4'-P energy: -7.745 tors. eta vs tors. theta energy: -9.663 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: 8, replica: 3 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -163.148948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.148948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.148948 (E_RNA) where: Base-Base interactions energy: -108.030 where: short stacking energy: -46.100 Base-Backbone interact. energy: -0.003 local terms energy: -55.116167 where: bonds (distance) C4'-P energy: -12.100 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -12.297 flat angles P-C4'-P energy: -4.966 tors. eta vs tors. theta energy: -11.373 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: 243 Temperature: 1.300000 Total energy: -65.879131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.879131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.879131 (E_RNA) where: Base-Base interactions energy: -21.487 where: short stacking energy: -21.487 Base-Backbone interact. energy: -0.091 local terms energy: -44.301074 where: bonds (distance) C4'-P energy: -11.532 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -10.673 flat angles P-C4'-P energy: -3.724 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -79.867046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.867046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.867046 (E_RNA) where: Base-Base interactions energy: -30.003 where: short stacking energy: -30.003 Base-Backbone interact. energy: -0.007 local terms energy: -49.857862 where: bonds (distance) C4'-P energy: -12.510 bonds (distance) P-C4' energy: -13.216 flat angles C4'-P-C4' energy: -13.476 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -4.583 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: 8 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -184.968709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.968709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.968709 (E_RNA) where: Base-Base interactions energy: -127.415 where: short stacking energy: -46.713 Base-Backbone interact. energy: -0.292 local terms energy: -57.261582 where: bonds (distance) C4'-P energy: -10.311 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -9.453 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -14.975 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: 244 Temperature: 0.950000 Total energy: -189.929771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.929771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.929771 (E_RNA) where: Base-Base interactions energy: -126.391 where: short stacking energy: -48.476 Base-Backbone interact. energy: -0.015 local terms energy: -63.522922 where: bonds (distance) C4'-P energy: -12.208 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -13.802 flat angles P-C4'-P energy: -5.886 tors. eta vs tors. theta energy: -18.129 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: 9 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -181.995642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.995642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.995642 (E_RNA) where: Base-Base interactions energy: -122.302 where: short stacking energy: -50.235 Base-Backbone interact. energy: -0.391 local terms energy: -59.302660 where: bonds (distance) C4'-P energy: -13.036 bonds (distance) P-C4' energy: -12.123 flat angles C4'-P-C4' energy: -12.174 flat angles P-C4'-P energy: -5.852 tors. eta vs tors. theta energy: -16.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -182.930673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.930673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.930673 (E_RNA) where: Base-Base interactions energy: -128.185 where: short stacking energy: -53.693 Base-Backbone interact. energy: -0.081 local terms energy: -54.664761 where: bonds (distance) C4'-P energy: -10.609 bonds (distance) P-C4' energy: -10.520 flat angles C4'-P-C4' energy: -9.670 flat angles P-C4'-P energy: -7.610 tors. eta vs tors. theta energy: -16.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -172.319901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.319901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.319901 (E_RNA) where: Base-Base interactions energy: -115.414 where: short stacking energy: -42.964 Base-Backbone interact. energy: -0.035 local terms energy: -56.871010 where: bonds (distance) C4'-P energy: -9.393 bonds (distance) P-C4' energy: -14.192 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -7.356 tors. eta vs tors. theta energy: -13.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -168.022470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.022470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.022470 (E_RNA) where: Base-Base interactions energy: -112.572 where: short stacking energy: -48.387 Base-Backbone interact. energy: -0.074 local terms energy: -55.376201 where: bonds (distance) C4'-P energy: -8.559 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -11.677 flat angles P-C4'-P energy: -8.250 tors. eta vs tors. theta energy: -13.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -162.299924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.299924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.299924 (E_RNA) where: Base-Base interactions energy: -102.815 where: short stacking energy: -47.222 Base-Backbone interact. energy: -0.616 local terms energy: -58.868761 where: bonds (distance) C4'-P energy: -8.667 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -12.106 flat angles P-C4'-P energy: -11.579 tors. eta vs tors. theta energy: -11.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -169.612816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.612816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.612816 (E_RNA) where: Base-Base interactions energy: -117.117 where: short stacking energy: -44.336 Base-Backbone interact. energy: -0.118 local terms energy: -52.377372 where: bonds (distance) C4'-P energy: -11.499 bonds (distance) P-C4' energy: -9.652 flat angles C4'-P-C4' energy: -10.871 flat angles P-C4'-P energy: -9.997 tors. eta vs tors. theta energy: -10.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -61.132461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.132461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.132461 (E_RNA) where: Base-Base interactions energy: -21.576 where: short stacking energy: -19.683 Base-Backbone interact. energy: 0.839 local terms energy: -40.394672 where: bonds (distance) C4'-P energy: -10.319 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -9.382 tors. eta vs tors. theta energy: -2.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -64.420260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.420260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.420260 (E_RNA) where: Base-Base interactions energy: -25.698 where: short stacking energy: -19.607 Base-Backbone interact. energy: -0.304 local terms energy: -38.417722 where: bonds (distance) C4'-P energy: -10.350 bonds (distance) P-C4' energy: -11.345 flat angles C4'-P-C4' energy: -7.936 flat angles P-C4'-P energy: -6.041 tors. eta vs tors. theta energy: -2.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -192.988054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.988054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.988054 (E_RNA) where: Base-Base interactions energy: -127.218 where: short stacking energy: -50.550 Base-Backbone interact. energy: -0.000 local terms energy: -65.769586 where: bonds (distance) C4'-P energy: -14.903 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -10.955 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -17.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -188.646941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.646941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.646941 (E_RNA) where: Base-Base interactions energy: -122.983 where: short stacking energy: -48.838 Base-Backbone interact. energy: -0.710 local terms energy: -64.954017 where: bonds (distance) C4'-P energy: -13.160 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -12.716 flat angles P-C4'-P energy: -10.186 tors. eta vs tors. theta energy: -15.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -188.160795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.160795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.160795 (E_RNA) where: Base-Base interactions energy: -124.026 where: short stacking energy: -50.440 Base-Backbone interact. energy: 0.167 local terms energy: -64.301572 where: bonds (distance) C4'-P energy: -12.759 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -13.214 flat angles P-C4'-P energy: -10.986 tors. eta vs tors. theta energy: -14.268 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: 245 Temperature: 1.050000 Total energy: -177.856974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.856974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.856974 (E_RNA) where: Base-Base interactions energy: -115.879 where: short stacking energy: -47.704 Base-Backbone interact. energy: -0.236 local terms energy: -61.741614 where: bonds (distance) C4'-P energy: -13.363 bonds (distance) P-C4' energy: -8.813 flat angles C4'-P-C4' energy: -15.204 flat angles P-C4'-P energy: -9.321 tors. eta vs tors. theta energy: -15.042 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: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -178.624790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.624790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.624790 (E_RNA) where: Base-Base interactions energy: -126.541 where: short stacking energy: -57.461 Base-Backbone interact. energy: -0.063 local terms energy: -52.021062 where: bonds (distance) C4'-P energy: -11.711 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -11.236 flat angles P-C4'-P energy: -6.031 tors. eta vs tors. theta energy: -15.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -174.002146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.002146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.002146 (E_RNA) where: Base-Base interactions energy: -121.379 where: short stacking energy: -35.562 Base-Backbone interact. energy: 5.718 local terms energy: -58.341209 where: bonds (distance) C4'-P energy: -12.228 bonds (distance) P-C4' energy: -12.772 flat angles C4'-P-C4' energy: -12.286 flat angles P-C4'-P energy: -8.907 tors. eta vs tors. theta energy: -12.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -178.098145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.098145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.098145 (E_RNA) where: Base-Base interactions energy: -116.716 where: short stacking energy: -44.246 Base-Backbone interact. energy: -0.588 local terms energy: -60.794384 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -11.905 flat angles C4'-P-C4' energy: -9.916 flat angles P-C4'-P energy: -10.481 tors. eta vs tors. theta energy: -16.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -148.999277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.999277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.999277 (E_RNA) where: Base-Base interactions energy: -96.197 where: short stacking energy: -39.036 Base-Backbone interact. energy: -0.101 local terms energy: -52.701877 where: bonds (distance) C4'-P energy: -9.686 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -13.014 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -11.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -69.078883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.078883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.078883 (E_RNA) where: Base-Base interactions energy: -28.292 where: short stacking energy: -28.292 Base-Backbone interact. energy: -0.702 local terms energy: -40.085279 where: bonds (distance) C4'-P energy: -10.531 bonds (distance) P-C4' energy: -10.424 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -9.839 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -60.271336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.271336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.271336 (E_RNA) where: Base-Base interactions energy: -19.655 where: short stacking energy: -17.795 Base-Backbone interact. energy: -1.071 local terms energy: -39.545400 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -12.269 flat angles C4'-P-C4' energy: -11.005 flat angles P-C4'-P energy: -7.090 tors. eta vs tors. theta energy: 3.490 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: 246 Temperature: 0.900000 Total energy: -190.483911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.483911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.483911 (E_RNA) where: Base-Base interactions energy: -128.325 where: short stacking energy: -50.985 Base-Backbone interact. energy: -0.017 local terms energy: -62.141404 where: bonds (distance) C4'-P energy: -14.245 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -11.353 flat angles P-C4'-P energy: -8.325 tors. eta vs tors. theta energy: -15.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -185.535384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.535384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.535384 (E_RNA) where: Base-Base interactions energy: -124.381 where: short stacking energy: -48.145 Base-Backbone interact. energy: -1.076 local terms energy: -60.078172 where: bonds (distance) C4'-P energy: -12.571 bonds (distance) P-C4' energy: -12.237 flat angles C4'-P-C4' energy: -14.202 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -12.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -179.266416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.266416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.266416 (E_RNA) where: Base-Base interactions energy: -118.558 where: short stacking energy: -47.639 Base-Backbone interact. energy: -0.004 local terms energy: -60.704774 where: bonds (distance) C4'-P energy: -10.345 bonds (distance) P-C4' energy: -12.972 flat angles C4'-P-C4' energy: -12.603 flat angles P-C4'-P energy: -10.354 tors. eta vs tors. theta energy: -14.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -179.118903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.118903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.118903 (E_RNA) where: Base-Base interactions energy: -122.003 where: short stacking energy: -49.780 Base-Backbone interact. energy: -0.056 local terms energy: -57.059769 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -13.247 flat angles C4'-P-C4' energy: -12.071 flat angles P-C4'-P energy: -8.018 tors. eta vs tors. theta energy: -13.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -176.468420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.468420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.468420 (E_RNA) where: Base-Base interactions energy: -111.973 where: short stacking energy: -48.171 Base-Backbone interact. energy: -0.638 local terms energy: -63.857330 where: bonds (distance) C4'-P energy: -11.102 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -11.912 flat angles P-C4'-P energy: -10.321 tors. eta vs tors. theta energy: -15.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -173.385701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.385701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.385701 (E_RNA) where: Base-Base interactions energy: -115.350 where: short stacking energy: -39.723 Base-Backbone interact. energy: -0.244 local terms energy: -57.792046 where: bonds (distance) C4'-P energy: -10.894 bonds (distance) P-C4' energy: -12.917 flat angles C4'-P-C4' energy: -11.686 flat angles P-C4'-P energy: -9.785 tors. eta vs tors. theta energy: -12.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -166.391669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.391669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.391669 (E_RNA) where: Base-Base interactions energy: -111.528 where: short stacking energy: -45.019 Base-Backbone interact. energy: -0.163 local terms energy: -54.700406 where: bonds (distance) C4'-P energy: -13.879 bonds (distance) P-C4' energy: -9.361 flat angles C4'-P-C4' energy: -13.095 flat angles P-C4'-P energy: -9.689 tors. eta vs tors. theta energy: -8.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -160.683432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.683432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.683432 (E_RNA) where: Base-Base interactions energy: -109.308 where: short stacking energy: -46.421 Base-Backbone interact. energy: -0.209 local terms energy: -51.166492 where: bonds (distance) C4'-P energy: -11.153 bonds (distance) P-C4' energy: -5.162 flat angles C4'-P-C4' energy: -13.398 flat angles P-C4'-P energy: -7.994 tors. eta vs tors. theta energy: -13.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -65.547148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.547148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.547148 (E_RNA) where: Base-Base interactions energy: -29.322 where: short stacking energy: -29.322 Base-Backbone interact. energy: -0.257 local terms energy: -35.968250 where: bonds (distance) C4'-P energy: -11.054 bonds (distance) P-C4' energy: -5.419 flat angles C4'-P-C4' energy: -9.652 flat angles P-C4'-P energy: -6.383 tors. eta vs tors. theta energy: -3.460 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: 1 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -71.410675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.410675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.410675 (E_RNA) where: Base-Base interactions energy: -28.333 where: short stacking energy: -24.680 Base-Backbone interact. energy: -0.099 local terms energy: -42.978216 where: bonds (distance) C4'-P energy: -12.535 bonds (distance) P-C4' energy: -10.948 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -5.984 tors. eta vs tors. theta energy: -5.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -185.834367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.834367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.834367 (E_RNA) where: Base-Base interactions energy: -128.192 where: short stacking energy: -51.425 Base-Backbone interact. energy: -0.147 local terms energy: -57.494758 where: bonds (distance) C4'-P energy: -9.414 bonds (distance) P-C4' energy: -14.513 flat angles C4'-P-C4' energy: -8.778 flat angles P-C4'-P energy: -8.495 tors. eta vs tors. theta energy: -16.294 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: 6 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -189.018817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.018817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.018817 (E_RNA) where: Base-Base interactions energy: -131.192 where: short stacking energy: -49.438 Base-Backbone interact. energy: -0.001 local terms energy: -57.825766 where: bonds (distance) C4'-P energy: -11.653 bonds (distance) P-C4' energy: -12.077 flat angles C4'-P-C4' energy: -12.339 flat angles P-C4'-P energy: -9.433 tors. eta vs tors. theta energy: -12.323 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: 8 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -184.235695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.235695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.235695 (E_RNA) where: Base-Base interactions energy: -121.322 where: short stacking energy: -48.156 Base-Backbone interact. energy: -0.001 local terms energy: -62.912477 where: bonds (distance) C4'-P energy: -13.010 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -11.060 flat angles P-C4'-P energy: -8.623 tors. eta vs tors. theta energy: -15.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -182.815754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.815754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.815754 (E_RNA) where: Base-Base interactions energy: -120.248 where: short stacking energy: -49.043 Base-Backbone interact. energy: -0.001 local terms energy: -62.567095 where: bonds (distance) C4'-P energy: -13.466 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -15.858 flat angles P-C4'-P energy: -8.276 tors. eta vs tors. theta energy: -12.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -173.706863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.706863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.706863 (E_RNA) where: Base-Base interactions energy: -114.945 where: short stacking energy: -49.461 Base-Backbone interact. energy: -0.080 local terms energy: -58.681623 where: bonds (distance) C4'-P energy: -13.879 bonds (distance) P-C4' energy: -11.518 flat angles C4'-P-C4' energy: -12.098 flat angles P-C4'-P energy: -8.267 tors. eta vs tors. theta energy: -12.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -171.845498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.845498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.845498 (E_RNA) where: Base-Base interactions energy: -117.509 where: short stacking energy: -47.167 Base-Backbone interact. energy: -0.516 local terms energy: -53.821099 where: bonds (distance) C4'-P energy: -9.562 bonds (distance) P-C4' energy: -10.732 flat angles C4'-P-C4' energy: -9.609 flat angles P-C4'-P energy: -8.715 tors. eta vs tors. theta energy: -15.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -171.009701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.009701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.009701 (E_RNA) where: Base-Base interactions energy: -115.748 where: short stacking energy: -45.712 Base-Backbone interact. energy: -0.193 local terms energy: -55.069018 where: bonds (distance) C4'-P energy: -8.398 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -11.498 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -16.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -170.467836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.467836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.467836 (E_RNA) where: Base-Base interactions energy: -117.030 where: short stacking energy: -47.367 Base-Backbone interact. energy: -0.077 local terms energy: -53.360104 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -12.868 flat angles P-C4'-P energy: -5.469 tors. eta vs tors. theta energy: -14.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -75.610968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.610968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.610968 (E_RNA) where: Base-Base interactions energy: -25.650 where: short stacking energy: -25.650 Base-Backbone interact. energy: -0.022 local terms energy: -49.938854 where: bonds (distance) C4'-P energy: -12.787 bonds (distance) P-C4' energy: -13.935 flat angles C4'-P-C4' energy: -10.707 flat angles P-C4'-P energy: -6.927 tors. eta vs tors. theta energy: -5.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -69.407661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.407661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.407661 (E_RNA) where: Base-Base interactions energy: -23.115 where: short stacking energy: -23.115 Base-Backbone interact. energy: -0.018 local terms energy: -46.274494 where: bonds (distance) C4'-P energy: -12.332 bonds (distance) P-C4' energy: -12.173 flat angles C4'-P-C4' energy: -8.826 flat angles P-C4'-P energy: -7.166 tors. eta vs tors. theta energy: -5.778 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: 6 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -194.223656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.223656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.223656 (E_RNA) where: Base-Base interactions energy: -139.267 where: short stacking energy: -56.596 Base-Backbone interact. energy: -0.139 local terms energy: -54.817898 where: bonds (distance) C4'-P energy: -9.156 bonds (distance) P-C4' energy: -11.726 flat angles C4'-P-C4' energy: -11.739 flat angles P-C4'-P energy: -7.227 tors. eta vs tors. theta energy: -14.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -192.163680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.163680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.163680 (E_RNA) where: Base-Base interactions energy: -129.282 where: short stacking energy: -45.769 Base-Backbone interact. energy: -0.025 local terms energy: -62.856504 where: bonds (distance) C4'-P energy: -11.715 bonds (distance) P-C4' energy: -13.910 flat angles C4'-P-C4' energy: -13.070 flat angles P-C4'-P energy: -10.734 tors. eta vs tors. theta energy: -13.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -190.127693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.127693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.127693 (E_RNA) where: Base-Base interactions energy: -130.354 where: short stacking energy: -55.674 Base-Backbone interact. energy: -0.101 local terms energy: -59.672973 where: bonds (distance) C4'-P energy: -10.071 bonds (distance) P-C4' energy: -11.985 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -7.496 tors. eta vs tors. theta energy: -16.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -168.383041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.383041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.383041 (E_RNA) where: Base-Base interactions energy: -112.627 where: short stacking energy: -49.663 Base-Backbone interact. energy: -0.038 local terms energy: -55.717720 where: bonds (distance) C4'-P energy: -12.373 bonds (distance) P-C4' energy: -11.394 flat angles C4'-P-C4' energy: -11.913 flat angles P-C4'-P energy: -7.693 tors. eta vs tors. theta energy: -12.344 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: 3 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -172.169932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.169932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.169932 (E_RNA) where: Base-Base interactions energy: -119.863 where: short stacking energy: -51.668 Base-Backbone interact. energy: -0.100 local terms energy: -52.206892 where: bonds (distance) C4'-P energy: -11.424 bonds (distance) P-C4' energy: -10.279 flat angles C4'-P-C4' energy: -10.165 flat angles P-C4'-P energy: -5.621 tors. eta vs tors. theta energy: -14.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -174.136783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.136783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.136783 (E_RNA) where: Base-Base interactions energy: -120.619 where: short stacking energy: -46.245 Base-Backbone interact. energy: -0.287 local terms energy: -53.230596 where: bonds (distance) C4'-P energy: -10.548 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -12.430 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -11.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -171.210056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.210056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.210056 (E_RNA) where: Base-Base interactions energy: -114.500 where: short stacking energy: -47.707 Base-Backbone interact. energy: -1.356 local terms energy: -55.354110 where: bonds (distance) C4'-P energy: -11.355 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -11.893 flat angles P-C4'-P energy: -8.003 tors. eta vs tors. theta energy: -10.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -165.944362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.944362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.944362 (E_RNA) where: Base-Base interactions energy: -114.451 where: short stacking energy: -39.866 Base-Backbone interact. energy: -0.009 local terms energy: -51.483832 where: bonds (distance) C4'-P energy: -8.078 bonds (distance) P-C4' energy: -14.098 flat angles C4'-P-C4' energy: -10.111 flat angles P-C4'-P energy: -6.869 tors. eta vs tors. theta energy: -12.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -68.966617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.966617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.966617 (E_RNA) where: Base-Base interactions energy: -20.092 where: short stacking energy: -20.092 Base-Backbone interact. energy: -0.204 local terms energy: -48.671239 where: bonds (distance) C4'-P energy: -9.483 bonds (distance) P-C4' energy: -12.505 flat angles C4'-P-C4' energy: -13.683 flat angles P-C4'-P energy: -10.255 tors. eta vs tors. theta energy: -2.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -64.987142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.987142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.987142 (E_RNA) where: Base-Base interactions energy: -27.590 where: short stacking energy: -18.571 Base-Backbone interact. energy: -0.024 local terms energy: -37.373521 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -3.827 flat angles C4'-P-C4' energy: -11.358 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -0.135 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: 6 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -187.843792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.843792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.843792 (E_RNA) where: Base-Base interactions energy: -129.683 where: short stacking energy: -50.062 Base-Backbone interact. energy: -0.100 local terms energy: -58.060590 where: bonds (distance) C4'-P energy: -12.866 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -12.267 flat angles P-C4'-P energy: -8.547 tors. eta vs tors. theta energy: -11.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -183.156094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.156094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.156094 (E_RNA) where: Base-Base interactions energy: -126.927 where: short stacking energy: -49.851 Base-Backbone interact. energy: -0.002 local terms energy: -56.227082 where: bonds (distance) C4'-P energy: -12.232 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -9.566 flat angles P-C4'-P energy: -7.921 tors. eta vs tors. theta energy: -12.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -181.284144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.284144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.284144 (E_RNA) where: Base-Base interactions energy: -126.532 where: short stacking energy: -51.463 Base-Backbone interact. energy: -0.007 local terms energy: -54.745445 where: bonds (distance) C4'-P energy: -9.683 bonds (distance) P-C4' energy: -9.837 flat angles C4'-P-C4' energy: -12.531 flat angles P-C4'-P energy: -6.533 tors. eta vs tors. theta energy: -16.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -176.085753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.085753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.085753 (E_RNA) where: Base-Base interactions energy: -116.326 where: short stacking energy: -43.323 Base-Backbone interact. energy: -1.398 local terms energy: -58.362051 where: bonds (distance) C4'-P energy: -11.952 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -11.781 flat angles P-C4'-P energy: -7.445 tors. eta vs tors. theta energy: -12.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -173.240400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.240400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.240400 (E_RNA) where: Base-Base interactions energy: -116.959 where: short stacking energy: -46.308 Base-Backbone interact. energy: -0.069 local terms energy: -56.211826 where: bonds (distance) C4'-P energy: -10.581 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -11.486 flat angles P-C4'-P energy: -8.532 tors. eta vs tors. theta energy: -11.028 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: 4 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -173.244628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.244628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.244628 (E_RNA) where: Base-Base interactions energy: -113.164 where: short stacking energy: -46.251 Base-Backbone interact. energy: -0.213 local terms energy: -59.867626 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -9.163 flat angles P-C4'-P energy: -9.667 tors. eta vs tors. theta energy: -15.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -175.301045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.301045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.301045 (E_RNA) where: Base-Base interactions energy: -121.173 where: short stacking energy: -45.172 Base-Backbone interact. energy: -0.008 local terms energy: -54.119938 where: bonds (distance) C4'-P energy: -8.072 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -10.862 flat angles P-C4'-P energy: -8.374 tors. eta vs tors. theta energy: -12.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -175.702001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.702001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.702001 (E_RNA) where: Base-Base interactions energy: -120.579 where: short stacking energy: -48.440 Base-Backbone interact. energy: -0.073 local terms energy: -55.049705 where: bonds (distance) C4'-P energy: -10.656 bonds (distance) P-C4' energy: -12.041 flat angles C4'-P-C4' energy: -12.630 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -14.715 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: 1 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -64.847408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.847408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.847408 (E_RNA) where: Base-Base interactions energy: -28.198 where: short stacking energy: -28.198 Base-Backbone interact. energy: -0.067 local terms energy: -36.582452 where: bonds (distance) C4'-P energy: -10.920 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -10.794 flat angles P-C4'-P energy: -3.098 tors. eta vs tors. theta energy: -1.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -65.626634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.626634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.626634 (E_RNA) where: Base-Base interactions energy: -16.586 where: short stacking energy: -16.134 Base-Backbone interact. energy: -0.706 local terms energy: -48.334432 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -10.733 flat angles C4'-P-C4' energy: -12.538 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -4.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -185.240459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.240459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.240459 (E_RNA) where: Base-Base interactions energy: -127.256 where: short stacking energy: -43.930 Base-Backbone interact. energy: -0.240 local terms energy: -57.745258 where: bonds (distance) C4'-P energy: -13.942 bonds (distance) P-C4' energy: -13.505 flat angles C4'-P-C4' energy: -12.163 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -14.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -189.022007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.022007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.022007 (E_RNA) where: Base-Base interactions energy: -122.076 where: short stacking energy: -51.190 Base-Backbone interact. energy: -0.977 local terms energy: -65.968857 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -14.371 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -10.040 tors. eta vs tors. theta energy: -14.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -179.291715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.291715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.291715 (E_RNA) where: Base-Base interactions energy: -119.153 where: short stacking energy: -49.014 Base-Backbone interact. energy: -0.126 local terms energy: -60.013222 where: bonds (distance) C4'-P energy: -12.556 bonds (distance) P-C4' energy: -11.809 flat angles C4'-P-C4' energy: -13.383 flat angles P-C4'-P energy: -9.604 tors. eta vs tors. theta energy: -12.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -178.710237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.710237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.710237 (E_RNA) where: Base-Base interactions energy: -118.992 where: short stacking energy: -47.001 Base-Backbone interact. energy: -0.335 local terms energy: -59.383047 where: bonds (distance) C4'-P energy: -12.509 bonds (distance) P-C4' energy: -11.659 flat angles C4'-P-C4' energy: -12.598 flat angles P-C4'-P energy: -9.413 tors. eta vs tors. theta energy: -13.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -170.270838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.270838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.270838 (E_RNA) where: Base-Base interactions energy: -117.689 where: short stacking energy: -44.762 Base-Backbone interact. energy: -0.003 local terms energy: -52.579492 where: bonds (distance) C4'-P energy: -10.747 bonds (distance) P-C4' energy: -9.624 flat angles C4'-P-C4' energy: -12.694 flat angles P-C4'-P energy: -7.531 tors. eta vs tors. theta energy: -11.983 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: 6, replica: 8 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -174.375970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.375970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.375970 (E_RNA) where: Base-Base interactions energy: -117.601 where: short stacking energy: -40.737 Base-Backbone interact. energy: -0.082 local terms energy: -56.692751 where: bonds (distance) C4'-P energy: -13.196 bonds (distance) P-C4' energy: -9.644 flat angles C4'-P-C4' energy: -13.028 flat angles P-C4'-P energy: -8.489 tors. eta vs tors. theta energy: -12.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -169.772145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.772145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.772145 (E_RNA) where: Base-Base interactions energy: -114.732 where: short stacking energy: -41.765 Base-Backbone interact. energy: -0.030 local terms energy: -55.009305 where: bonds (distance) C4'-P energy: -11.277 bonds (distance) P-C4' energy: -13.353 flat angles C4'-P-C4' energy: -10.727 flat angles P-C4'-P energy: -7.159 tors. eta vs tors. theta energy: -12.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -159.211376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.211376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.211376 (E_RNA) where: Base-Base interactions energy: -105.192 where: short stacking energy: -40.676 Base-Backbone interact. energy: -0.007 local terms energy: -54.012026 where: bonds (distance) C4'-P energy: -9.543 bonds (distance) P-C4' energy: -10.218 flat angles C4'-P-C4' energy: -12.205 flat angles P-C4'-P energy: -8.649 tors. eta vs tors. theta energy: -13.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -69.833082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.833082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.833082 (E_RNA) where: Base-Base interactions energy: -23.059 where: short stacking energy: -23.059 Base-Backbone interact. energy: -0.053 local terms energy: -46.721534 where: bonds (distance) C4'-P energy: -12.509 bonds (distance) P-C4' energy: -10.911 flat angles C4'-P-C4' energy: -8.670 flat angles P-C4'-P energy: -7.628 tors. eta vs tors. theta energy: -7.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -64.814402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.814402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.814402 (E_RNA) where: Base-Base interactions energy: -24.155 where: short stacking energy: -23.927 Base-Backbone interact. energy: -0.091 local terms energy: -40.568494 where: bonds (distance) C4'-P energy: -9.409 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -10.156 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -184.024786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.024786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.024786 (E_RNA) where: Base-Base interactions energy: -121.832 where: short stacking energy: -44.667 Base-Backbone interact. energy: -0.046 local terms energy: -62.147011 where: bonds (distance) C4'-P energy: -11.897 bonds (distance) P-C4' energy: -12.809 flat angles C4'-P-C4' energy: -15.155 flat angles P-C4'-P energy: -7.616 tors. eta vs tors. theta energy: -14.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -189.020497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.020497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.020497 (E_RNA) where: Base-Base interactions energy: -130.681 where: short stacking energy: -49.592 Base-Backbone interact. energy: -0.112 local terms energy: -58.227824 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -12.215 flat angles C4'-P-C4' energy: -10.163 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -14.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -184.667585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.667585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.667585 (E_RNA) where: Base-Base interactions energy: -123.125 where: short stacking energy: -47.786 Base-Backbone interact. energy: -0.630 local terms energy: -60.912260 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -10.970 flat angles C4'-P-C4' energy: -12.338 flat angles P-C4'-P energy: -11.988 tors. eta vs tors. theta energy: -12.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -179.321656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.321656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.321656 (E_RNA) where: Base-Base interactions energy: -124.505 where: short stacking energy: -48.868 Base-Backbone interact. energy: -0.101 local terms energy: -54.715279 where: bonds (distance) C4'-P energy: -12.013 bonds (distance) P-C4' energy: -11.002 flat angles C4'-P-C4' energy: -12.097 flat angles P-C4'-P energy: -1.815 tors. eta vs tors. theta energy: -17.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -167.934400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.934400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.934400 (E_RNA) where: Base-Base interactions energy: -112.869 where: short stacking energy: -45.134 Base-Backbone interact. energy: -0.601 local terms energy: -54.463911 where: bonds (distance) C4'-P energy: -13.487 bonds (distance) P-C4' energy: -11.209 flat angles C4'-P-C4' energy: -10.951 flat angles P-C4'-P energy: -9.411 tors. eta vs tors. theta energy: -9.406 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: 2 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -168.298018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.298018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.298018 (E_RNA) where: Base-Base interactions energy: -120.135 where: short stacking energy: -51.055 Base-Backbone interact. energy: -0.129 local terms energy: -48.034261 where: bonds (distance) C4'-P energy: -9.765 bonds (distance) P-C4' energy: -11.592 flat angles C4'-P-C4' energy: -11.908 flat angles P-C4'-P energy: -1.604 tors. eta vs tors. theta energy: -13.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -168.641100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.641100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.641100 (E_RNA) where: Base-Base interactions energy: -117.016 where: short stacking energy: -46.777 Base-Backbone interact. energy: -0.011 local terms energy: -51.613440 where: bonds (distance) C4'-P energy: -12.451 bonds (distance) P-C4' energy: -7.116 flat angles C4'-P-C4' energy: -9.684 flat angles P-C4'-P energy: -6.043 tors. eta vs tors. theta energy: -16.320 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: 5 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -166.085646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.085646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.085646 (E_RNA) where: Base-Base interactions energy: -107.250 where: short stacking energy: -42.388 Base-Backbone interact. energy: -0.550 local terms energy: -58.285607 where: bonds (distance) C4'-P energy: -12.289 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -10.269 flat angles P-C4'-P energy: -8.927 tors. eta vs tors. theta energy: -13.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -69.350691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.350691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.350691 (E_RNA) where: Base-Base interactions energy: -22.916 where: short stacking energy: -22.916 Base-Backbone interact. energy: -0.030 local terms energy: -46.404033 where: bonds (distance) C4'-P energy: -8.991 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -12.284 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -6.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -59.880854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.880854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.880854 (E_RNA) where: Base-Base interactions energy: -24.188 where: short stacking energy: -24.188 Base-Backbone interact. energy: -0.085 local terms energy: -35.608367 where: bonds (distance) C4'-P energy: -10.009 bonds (distance) P-C4' energy: -11.733 flat angles C4'-P-C4' energy: -7.431 flat angles P-C4'-P energy: -1.446 tors. eta vs tors. theta energy: -4.989 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: 3 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -190.139779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.139779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.139779 (E_RNA) where: Base-Base interactions energy: -127.286 where: short stacking energy: -53.682 Base-Backbone interact. energy: -0.033 local terms energy: -62.821132 where: bonds (distance) C4'-P energy: -13.033 bonds (distance) P-C4' energy: -13.867 flat angles C4'-P-C4' energy: -12.445 flat angles P-C4'-P energy: -8.173 tors. eta vs tors. theta energy: -15.303 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: 2, replica: 6 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -187.869889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.869889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.869889 (E_RNA) where: Base-Base interactions energy: -132.966 where: short stacking energy: -58.332 Base-Backbone interact. energy: -0.066 local terms energy: -54.837811 where: bonds (distance) C4'-P energy: -10.459 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -12.244 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: -15.929 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: 4 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -181.732159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.732159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.732159 (E_RNA) where: Base-Base interactions energy: -122.595 where: short stacking energy: -48.775 Base-Backbone interact. energy: -0.120 local terms energy: -59.017705 where: bonds (distance) C4'-P energy: -12.733 bonds (distance) P-C4' energy: -13.607 flat angles C4'-P-C4' energy: -12.507 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: -14.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -177.956786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.956786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.956786 (E_RNA) where: Base-Base interactions energy: -121.558 where: short stacking energy: -49.080 Base-Backbone interact. energy: -0.401 local terms energy: -55.997925 where: bonds (distance) C4'-P energy: -12.646 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -10.059 flat angles P-C4'-P energy: -9.664 tors. eta vs tors. theta energy: -14.774 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: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -175.489169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.489169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.489169 (E_RNA) where: Base-Base interactions energy: -115.272 where: short stacking energy: -43.303 Base-Backbone interact. energy: -0.001 local terms energy: -60.216090 where: bonds (distance) C4'-P energy: -13.499 bonds (distance) P-C4' energy: -12.567 flat angles C4'-P-C4' energy: -11.497 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -14.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -167.399773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.399773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.399773 (E_RNA) where: Base-Base interactions energy: -111.165 where: short stacking energy: -42.580 Base-Backbone interact. energy: -0.518 local terms energy: -55.717447 where: bonds (distance) C4'-P energy: -9.582 bonds (distance) P-C4' energy: -10.728 flat angles C4'-P-C4' energy: -12.904 flat angles P-C4'-P energy: -9.874 tors. eta vs tors. theta energy: -12.629 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: 252 Temperature: 1.200000 Total energy: -161.231287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.231287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.231287 (E_RNA) where: Base-Base interactions energy: -101.442 where: short stacking energy: -41.839 Base-Backbone interact. energy: -0.317 local terms energy: -59.472882 where: bonds (distance) C4'-P energy: -11.197 bonds (distance) P-C4' energy: -13.736 flat angles C4'-P-C4' energy: -12.982 flat angles P-C4'-P energy: -11.361 tors. eta vs tors. theta energy: -10.197 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: 8 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -173.614247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.614247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.614247 (E_RNA) where: Base-Base interactions energy: -114.473 where: short stacking energy: -49.822 Base-Backbone interact. energy: -0.004 local terms energy: -59.136767 where: bonds (distance) C4'-P energy: -13.877 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -14.104 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -13.953 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: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -66.908560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.908560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.908560 (E_RNA) where: Base-Base interactions energy: -28.254 where: short stacking energy: -12.801 Base-Backbone interact. energy: -0.031 local terms energy: -38.624415 where: bonds (distance) C4'-P energy: -12.932 bonds (distance) P-C4' energy: -9.711 flat angles C4'-P-C4' energy: -7.952 flat angles P-C4'-P energy: -7.562 tors. eta vs tors. theta energy: -0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -64.749760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.749760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.749760 (E_RNA) where: Base-Base interactions energy: -26.001 where: short stacking energy: -26.001 Base-Backbone interact. energy: 0.577 local terms energy: -39.325758 where: bonds (distance) C4'-P energy: -8.437 bonds (distance) P-C4' energy: -10.579 flat angles C4'-P-C4' energy: -10.475 flat angles P-C4'-P energy: -6.727 tors. eta vs tors. theta energy: -3.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -194.756714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.756714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.756714 (E_RNA) where: Base-Base interactions energy: -127.300 where: short stacking energy: -52.528 Base-Backbone interact. energy: -0.002 local terms energy: -67.454519 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -14.456 flat angles P-C4'-P energy: -9.348 tors. eta vs tors. theta energy: -17.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -190.268026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.268026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.268026 (E_RNA) where: Base-Base interactions energy: -130.051 where: short stacking energy: -52.980 Base-Backbone interact. energy: -0.002 local terms energy: -60.215527 where: bonds (distance) C4'-P energy: -9.830 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -11.792 flat angles P-C4'-P energy: -8.272 tors. eta vs tors. theta energy: -17.296 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: 4 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -188.231083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.231083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.231083 (E_RNA) where: Base-Base interactions energy: -129.679 where: short stacking energy: -55.034 Base-Backbone interact. energy: -0.664 local terms energy: -57.887171 where: bonds (distance) C4'-P energy: -11.893 bonds (distance) P-C4' energy: -10.625 flat angles C4'-P-C4' energy: -13.981 flat angles P-C4'-P energy: -2.975 tors. eta vs tors. theta energy: -18.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -183.297625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.297625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.297625 (E_RNA) where: Base-Base interactions energy: -122.888 where: short stacking energy: -40.140 Base-Backbone interact. energy: -0.184 local terms energy: -60.225438 where: bonds (distance) C4'-P energy: -10.928 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -11.779 flat angles P-C4'-P energy: -8.956 tors. eta vs tors. theta energy: -13.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -170.323714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.323714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.323714 (E_RNA) where: Base-Base interactions energy: -120.088 where: short stacking energy: -47.586 Base-Backbone interact. energy: -0.788 local terms energy: -49.447889 where: bonds (distance) C4'-P energy: -11.579 bonds (distance) P-C4' energy: -13.773 flat angles C4'-P-C4' energy: -9.987 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -7.654 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: 5 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -163.216311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.216311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.216311 (E_RNA) where: Base-Base interactions energy: -107.513 where: short stacking energy: -42.369 Base-Backbone interact. energy: -0.171 local terms energy: -55.532762 where: bonds (distance) C4'-P energy: -13.827 bonds (distance) P-C4' energy: -10.305 flat angles C4'-P-C4' energy: -12.415 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -13.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -170.198494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.198494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.198494 (E_RNA) where: Base-Base interactions energy: -115.482 where: short stacking energy: -44.394 Base-Backbone interact. energy: -0.182 local terms energy: -54.534253 where: bonds (distance) C4'-P energy: -9.475 bonds (distance) P-C4' energy: -12.853 flat angles C4'-P-C4' energy: -11.554 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -14.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -166.680571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.680571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.680571 (E_RNA) where: Base-Base interactions energy: -115.835 where: short stacking energy: -46.758 Base-Backbone interact. energy: 0.102 local terms energy: -50.948041 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -11.715 flat angles C4'-P-C4' energy: -11.461 flat angles P-C4'-P energy: -5.801 tors. eta vs tors. theta energy: -9.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -62.264309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.264309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.264309 (E_RNA) where: Base-Base interactions energy: -22.556 where: short stacking energy: -19.748 Base-Backbone interact. energy: -0.222 local terms energy: -39.487264 where: bonds (distance) C4'-P energy: -13.098 bonds (distance) P-C4' energy: -11.592 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: -1.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -69.727645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.727645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.727645 (E_RNA) where: Base-Base interactions energy: -30.856 where: short stacking energy: -30.856 Base-Backbone interact. energy: -0.048 local terms energy: -38.823409 where: bonds (distance) C4'-P energy: -12.395 bonds (distance) P-C4' energy: -9.923 flat angles C4'-P-C4' energy: -10.455 flat angles P-C4'-P energy: -3.268 tors. eta vs tors. theta energy: -2.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -192.646500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.646500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.646500 (E_RNA) where: Base-Base interactions energy: -129.831 where: short stacking energy: -52.813 Base-Backbone interact. energy: -0.003 local terms energy: -62.812551 where: bonds (distance) C4'-P energy: -12.759 bonds (distance) P-C4' energy: -12.268 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -8.085 tors. eta vs tors. theta energy: -16.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -183.201467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.201467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.201467 (E_RNA) where: Base-Base interactions energy: -122.795 where: short stacking energy: -49.600 Base-Backbone interact. energy: -0.026 local terms energy: -60.379600 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -9.593 flat angles C4'-P-C4' energy: -14.207 flat angles P-C4'-P energy: -8.972 tors. eta vs tors. theta energy: -14.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -185.633132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.633132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.633132 (E_RNA) where: Base-Base interactions energy: -126.171 where: short stacking energy: -57.500 Base-Backbone interact. energy: -0.100 local terms energy: -59.361655 where: bonds (distance) C4'-P energy: -11.773 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -12.676 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -14.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -186.691987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.691987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.691987 (E_RNA) where: Base-Base interactions energy: -128.036 where: short stacking energy: -52.906 Base-Backbone interact. energy: -0.124 local terms energy: -58.532131 where: bonds (distance) C4'-P energy: -11.579 bonds (distance) P-C4' energy: -10.451 flat angles C4'-P-C4' energy: -13.316 flat angles P-C4'-P energy: -8.036 tors. eta vs tors. theta energy: -15.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -173.604113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.604113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.604113 (E_RNA) where: Base-Base interactions energy: -117.959 where: short stacking energy: -45.113 Base-Backbone interact. energy: 1.781 local terms energy: -57.426399 where: bonds (distance) C4'-P energy: -7.601 bonds (distance) P-C4' energy: -10.425 flat angles C4'-P-C4' energy: -12.191 flat angles P-C4'-P energy: -11.410 tors. eta vs tors. theta energy: -15.799 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: 6, replica: 9 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -174.436185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.436185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.436185 (E_RNA) where: Base-Base interactions energy: -120.574 where: short stacking energy: -43.018 Base-Backbone interact. energy: -0.241 local terms energy: -53.621454 where: bonds (distance) C4'-P energy: -14.240 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -11.129 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -10.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -163.494803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.494803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.494803 (E_RNA) where: Base-Base interactions energy: -111.768 where: short stacking energy: -42.372 Base-Backbone interact. energy: -0.179 local terms energy: -51.548033 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -14.790 flat angles C4'-P-C4' energy: -11.534 flat angles P-C4'-P energy: -7.114 tors. eta vs tors. theta energy: -9.206 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: 8 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -171.636692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.636692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.636692 (E_RNA) where: Base-Base interactions energy: -115.173 where: short stacking energy: -45.031 Base-Backbone interact. energy: -0.077 local terms energy: -56.386508 where: bonds (distance) C4'-P energy: -12.953 bonds (distance) P-C4' energy: -12.491 flat angles C4'-P-C4' energy: -11.412 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -14.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -70.671215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.671215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.671215 (E_RNA) where: Base-Base interactions energy: -28.982 where: short stacking energy: -18.692 Base-Backbone interact. energy: -0.002 local terms energy: -41.686313 where: bonds (distance) C4'-P energy: -11.065 bonds (distance) P-C4' energy: -9.164 flat angles C4'-P-C4' energy: -10.553 flat angles P-C4'-P energy: -6.750 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -66.806120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.806120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.806120 (E_RNA) where: Base-Base interactions energy: -34.593 where: short stacking energy: -11.355 Base-Backbone interact. energy: -0.581 local terms energy: -31.631433 where: bonds (distance) C4'-P energy: -13.947 bonds (distance) P-C4' energy: -5.431 flat angles C4'-P-C4' energy: -9.036 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: 1.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -192.228975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.228975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.228975 (E_RNA) where: Base-Base interactions energy: -123.499 where: short stacking energy: -52.732 Base-Backbone interact. energy: 0.897 local terms energy: -69.626323 where: bonds (distance) C4'-P energy: -13.329 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -14.211 flat angles P-C4'-P energy: -11.202 tors. eta vs tors. theta energy: -16.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -189.411974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.411974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.411974 (E_RNA) where: Base-Base interactions energy: -126.274 where: short stacking energy: -50.164 Base-Backbone interact. energy: -0.067 local terms energy: -63.070790 where: bonds (distance) C4'-P energy: -14.803 bonds (distance) P-C4' energy: -11.642 flat angles C4'-P-C4' energy: -14.649 flat angles P-C4'-P energy: -7.556 tors. eta vs tors. theta energy: -14.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -181.352845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.352845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.352845 (E_RNA) where: Base-Base interactions energy: -121.027 where: short stacking energy: -53.141 Base-Backbone interact. energy: -0.097 local terms energy: -60.228830 where: bonds (distance) C4'-P energy: -12.795 bonds (distance) P-C4' energy: -12.837 flat angles C4'-P-C4' energy: -11.164 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -18.360 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: 5 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -179.241293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.241293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.241293 (E_RNA) where: Base-Base interactions energy: -120.780 where: short stacking energy: -51.664 Base-Backbone interact. energy: -0.629 local terms energy: -57.832102 where: bonds (distance) C4'-P energy: -12.857 bonds (distance) P-C4' energy: -11.681 flat angles C4'-P-C4' energy: -11.969 flat angles P-C4'-P energy: -8.270 tors. eta vs tors. theta energy: -13.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -173.466582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.466582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.466582 (E_RNA) where: Base-Base interactions energy: -117.164 where: short stacking energy: -39.623 Base-Backbone interact. energy: -0.406 local terms energy: -55.896485 where: bonds (distance) C4'-P energy: -11.644 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -10.361 flat angles P-C4'-P energy: -7.150 tors. eta vs tors. theta energy: -13.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -172.135405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.135405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.135405 (E_RNA) where: Base-Base interactions energy: -117.710 where: short stacking energy: -45.716 Base-Backbone interact. energy: -0.037 local terms energy: -54.387574 where: bonds (distance) C4'-P energy: -11.115 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -11.096 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -15.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -160.044494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.044494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.044494 (E_RNA) where: Base-Base interactions energy: -96.280 where: short stacking energy: -34.114 Base-Backbone interact. energy: -0.650 local terms energy: -63.114417 where: bonds (distance) C4'-P energy: -12.261 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -13.435 flat angles P-C4'-P energy: -9.777 tors. eta vs tors. theta energy: -12.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -166.049883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.049883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.049883 (E_RNA) where: Base-Base interactions energy: -111.724 where: short stacking energy: -43.188 Base-Backbone interact. energy: -0.501 local terms energy: -53.825383 where: bonds (distance) C4'-P energy: -11.667 bonds (distance) P-C4' energy: -10.601 flat angles C4'-P-C4' energy: -11.726 flat angles P-C4'-P energy: -6.948 tors. eta vs tors. theta energy: -12.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -71.648649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.648649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.648649 (E_RNA) where: Base-Base interactions energy: -27.486 where: short stacking energy: -23.294 Base-Backbone interact. energy: -0.161 local terms energy: -44.001721 where: bonds (distance) C4'-P energy: -14.314 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -10.352 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: -4.294 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: 1 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -69.174875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.174875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.174875 (E_RNA) where: Base-Base interactions energy: -21.404 where: short stacking energy: -17.283 Base-Backbone interact. energy: -0.401 local terms energy: -47.370013 where: bonds (distance) C4'-P energy: -10.858 bonds (distance) P-C4' energy: -14.597 flat angles C4'-P-C4' energy: -9.549 flat angles P-C4'-P energy: -6.019 tors. eta vs tors. theta energy: -6.348 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: 3 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -190.517547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.517547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.517547 (E_RNA) where: Base-Base interactions energy: -127.149 where: short stacking energy: -55.725 Base-Backbone interact. energy: -0.257 local terms energy: -63.111677 where: bonds (distance) C4'-P energy: -11.859 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -14.860 flat angles P-C4'-P energy: -7.627 tors. eta vs tors. theta energy: -14.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -185.808864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.808864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.808864 (E_RNA) where: Base-Base interactions energy: -129.304 where: short stacking energy: -49.373 Base-Backbone interact. energy: -0.431 local terms energy: -56.073820 where: bonds (distance) C4'-P energy: -11.479 bonds (distance) P-C4' energy: -12.673 flat angles C4'-P-C4' energy: -9.984 flat angles P-C4'-P energy: -7.932 tors. eta vs tors. theta energy: -14.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -182.695055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.695055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.695055 (E_RNA) where: Base-Base interactions energy: -126.201 where: short stacking energy: -49.066 Base-Backbone interact. energy: -0.047 local terms energy: -56.446867 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -7.949 flat angles C4'-P-C4' energy: -14.580 flat angles P-C4'-P energy: -8.536 tors. eta vs tors. theta energy: -13.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -175.632552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.632552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.632552 (E_RNA) where: Base-Base interactions energy: -121.191 where: short stacking energy: -50.388 Base-Backbone interact. energy: -0.041 local terms energy: -54.400060 where: bonds (distance) C4'-P energy: -9.625 bonds (distance) P-C4' energy: -10.758 flat angles C4'-P-C4' energy: -13.647 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: -10.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -177.506303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.506303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.506303 (E_RNA) where: Base-Base interactions energy: -116.693 where: short stacking energy: -48.626 Base-Backbone interact. energy: -0.129 local terms energy: -60.684680 where: bonds (distance) C4'-P energy: -10.052 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -12.656 flat angles P-C4'-P energy: -7.551 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: 6, replica: 9 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -174.037194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.037194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.037194 (E_RNA) where: Base-Base interactions energy: -116.066 where: short stacking energy: -41.931 Base-Backbone interact. energy: -1.390 local terms energy: -56.580512 where: bonds (distance) C4'-P energy: -12.378 bonds (distance) P-C4' energy: -9.002 flat angles C4'-P-C4' energy: -13.350 flat angles P-C4'-P energy: -6.255 tors. eta vs tors. theta energy: -15.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -169.945283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.945283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.945283 (E_RNA) where: Base-Base interactions energy: -109.282 where: short stacking energy: -35.004 Base-Backbone interact. energy: -0.008 local terms energy: -60.655355 where: bonds (distance) C4'-P energy: -14.733 bonds (distance) P-C4' energy: -12.230 flat angles C4'-P-C4' energy: -13.755 flat angles P-C4'-P energy: -9.991 tors. eta vs tors. theta energy: -9.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -159.551827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.551827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.551827 (E_RNA) where: Base-Base interactions energy: -110.350 where: short stacking energy: -36.446 Base-Backbone interact. energy: -0.147 local terms energy: -49.053919 where: bonds (distance) C4'-P energy: -7.103 bonds (distance) P-C4' energy: -11.230 flat angles C4'-P-C4' energy: -12.897 flat angles P-C4'-P energy: -8.827 tors. eta vs tors. theta energy: -8.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -61.421594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.421594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.421594 (E_RNA) where: Base-Base interactions energy: -22.541 where: short stacking energy: -13.950 Base-Backbone interact. energy: -0.082 local terms energy: -38.799276 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -8.877 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: 0.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -61.511928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.511928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.511928 (E_RNA) where: Base-Base interactions energy: -21.898 where: short stacking energy: -17.946 Base-Backbone interact. energy: 0.183 local terms energy: -39.797825 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -12.257 flat angles C4'-P-C4' energy: -10.178 flat angles P-C4'-P energy: -6.029 tors. eta vs tors. theta energy: -4.070 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: 3 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -195.637921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.637921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.637921 (E_RNA) where: Base-Base interactions energy: -132.244 where: short stacking energy: -55.227 Base-Backbone interact. energy: -0.018 local terms energy: -63.376292 where: bonds (distance) C4'-P energy: -13.081 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -13.910 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -18.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -189.378604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.378604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.378604 (E_RNA) where: Base-Base interactions energy: -134.825 where: short stacking energy: -46.717 Base-Backbone interact. energy: -0.001 local terms energy: -54.552385 where: bonds (distance) C4'-P energy: -9.973 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -12.101 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: -13.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -181.416428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.416428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.416428 (E_RNA) where: Base-Base interactions energy: -124.014 where: short stacking energy: -53.821 Base-Backbone interact. energy: -0.074 local terms energy: -57.327783 where: bonds (distance) C4'-P energy: -10.348 bonds (distance) P-C4' energy: -11.553 flat angles C4'-P-C4' energy: -15.422 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -14.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -183.403881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.403881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.403881 (E_RNA) where: Base-Base interactions energy: -121.881 where: short stacking energy: -48.488 Base-Backbone interact. energy: -0.907 local terms energy: -60.616219 where: bonds (distance) C4'-P energy: -12.207 bonds (distance) P-C4' energy: -14.018 flat angles C4'-P-C4' energy: -11.647 flat angles P-C4'-P energy: -9.848 tors. eta vs tors. theta energy: -12.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -183.727911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.727911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.727911 (E_RNA) where: Base-Base interactions energy: -121.567 where: short stacking energy: -47.002 Base-Backbone interact. energy: -0.089 local terms energy: -62.071047 where: bonds (distance) C4'-P energy: -13.131 bonds (distance) P-C4' energy: -12.860 flat angles C4'-P-C4' energy: -12.768 flat angles P-C4'-P energy: -8.529 tors. eta vs tors. theta energy: -14.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -165.680660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.680660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.680660 (E_RNA) where: Base-Base interactions energy: -113.351 where: short stacking energy: -47.978 Base-Backbone interact. energy: -0.497 local terms energy: -51.832827 where: bonds (distance) C4'-P energy: -6.288 bonds (distance) P-C4' energy: -11.969 flat angles C4'-P-C4' energy: -15.271 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -13.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -169.209631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.209631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.209631 (E_RNA) where: Base-Base interactions energy: -112.785 where: short stacking energy: -48.118 Base-Backbone interact. energy: -0.005 local terms energy: -56.418853 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -11.997 flat angles C4'-P-C4' energy: -12.421 flat angles P-C4'-P energy: -7.333 tors. eta vs tors. theta energy: -11.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -157.814369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.814369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.814369 (E_RNA) where: Base-Base interactions energy: -110.338 where: short stacking energy: -38.251 Base-Backbone interact. energy: -0.003 local terms energy: -47.473257 where: bonds (distance) C4'-P energy: -8.233 bonds (distance) P-C4' energy: -11.585 flat angles C4'-P-C4' energy: -10.197 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -12.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -62.675253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.675253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.675253 (E_RNA) where: Base-Base interactions energy: -23.985 where: short stacking energy: -15.938 Base-Backbone interact. energy: -0.753 local terms energy: -37.937165 where: bonds (distance) C4'-P energy: -10.718 bonds (distance) P-C4' energy: -12.488 flat angles C4'-P-C4' energy: -9.522 flat angles P-C4'-P energy: -6.329 tors. eta vs tors. theta energy: 1.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -68.233655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.233655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.233655 (E_RNA) where: Base-Base interactions energy: -24.810 where: short stacking energy: -24.810 Base-Backbone interact. energy: -0.252 local terms energy: -43.171771 where: bonds (distance) C4'-P energy: -10.540 bonds (distance) P-C4' energy: -13.389 flat angles C4'-P-C4' energy: -11.190 flat angles P-C4'-P energy: -9.185 tors. eta vs tors. theta energy: 1.132 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: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -186.505490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.505490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.505490 (E_RNA) where: Base-Base interactions energy: -124.274 where: short stacking energy: -55.578 Base-Backbone interact. energy: -0.416 local terms energy: -61.816032 where: bonds (distance) C4'-P energy: -12.033 bonds (distance) P-C4' energy: -13.191 flat angles C4'-P-C4' energy: -13.361 flat angles P-C4'-P energy: -9.011 tors. eta vs tors. theta energy: -14.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -185.239663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.239663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.239663 (E_RNA) where: Base-Base interactions energy: -126.218 where: short stacking energy: -44.683 Base-Backbone interact. energy: -0.138 local terms energy: -58.884046 where: bonds (distance) C4'-P energy: -9.211 bonds (distance) P-C4' energy: -16.053 flat angles C4'-P-C4' energy: -12.631 flat angles P-C4'-P energy: -8.125 tors. eta vs tors. theta energy: -12.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -178.380638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.380638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.380638 (E_RNA) where: Base-Base interactions energy: -121.272 where: short stacking energy: -46.572 Base-Backbone interact. energy: -0.001 local terms energy: -57.107647 where: bonds (distance) C4'-P energy: -12.439 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -12.378 flat angles P-C4'-P energy: -5.681 tors. eta vs tors. theta energy: -14.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -193.276975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.276975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.276975 (E_RNA) where: Base-Base interactions energy: -129.960 where: short stacking energy: -59.307 Base-Backbone interact. energy: -0.676 local terms energy: -62.640223 where: bonds (distance) C4'-P energy: -10.593 bonds (distance) P-C4' energy: -11.813 flat angles C4'-P-C4' energy: -13.963 flat angles P-C4'-P energy: -9.582 tors. eta vs tors. theta energy: -16.690 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: 258 Temperature: 1.100000 Total energy: -177.592519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.592519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.592519 (E_RNA) where: Base-Base interactions energy: -120.312 where: short stacking energy: -48.301 Base-Backbone interact. energy: 0.427 local terms energy: -57.706974 where: bonds (distance) C4'-P energy: -12.075 bonds (distance) P-C4' energy: -13.970 flat angles C4'-P-C4' energy: -12.405 flat angles P-C4'-P energy: -5.836 tors. eta vs tors. theta energy: -13.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -168.685923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.685923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.685923 (E_RNA) where: Base-Base interactions energy: -109.525 where: short stacking energy: -49.252 Base-Backbone interact. energy: -0.019 local terms energy: -59.141283 where: bonds (distance) C4'-P energy: -14.841 bonds (distance) P-C4' energy: -13.117 flat angles C4'-P-C4' energy: -10.546 flat angles P-C4'-P energy: -6.494 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: 7, replica: 8 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -168.265291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.265291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.265291 (E_RNA) where: Base-Base interactions energy: -115.109 where: short stacking energy: -45.751 Base-Backbone interact. energy: -0.026 local terms energy: -53.130522 where: bonds (distance) C4'-P energy: -12.004 bonds (distance) P-C4' energy: -13.447 flat angles C4'-P-C4' energy: -10.984 flat angles P-C4'-P energy: -2.933 tors. eta vs tors. theta energy: -13.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -154.493262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.493262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.493262 (E_RNA) where: Base-Base interactions energy: -101.696 where: short stacking energy: -43.360 Base-Backbone interact. energy: -0.209 local terms energy: -52.588524 where: bonds (distance) C4'-P energy: -10.795 bonds (distance) P-C4' energy: -11.916 flat angles C4'-P-C4' energy: -10.371 flat angles P-C4'-P energy: -8.141 tors. eta vs tors. theta energy: -11.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -69.332531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.332531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.332531 (E_RNA) where: Base-Base interactions energy: -34.987 where: short stacking energy: -21.652 Base-Backbone interact. energy: 0.376 local terms energy: -34.720758 where: bonds (distance) C4'-P energy: -8.249 bonds (distance) P-C4' energy: -11.501 flat angles C4'-P-C4' energy: -10.253 flat angles P-C4'-P energy: -6.278 tors. eta vs tors. theta energy: 1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -58.275617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.275617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.275617 (E_RNA) where: Base-Base interactions energy: -18.768 where: short stacking energy: -18.768 Base-Backbone interact. energy: 0.068 local terms energy: -39.575664 where: bonds (distance) C4'-P energy: -11.888 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -5.226 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -192.471442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.471442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.471442 (E_RNA) where: Base-Base interactions energy: -127.527 where: short stacking energy: -51.319 Base-Backbone interact. energy: -0.342 local terms energy: -64.602041 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -15.371 flat angles C4'-P-C4' energy: -13.922 flat angles P-C4'-P energy: -7.835 tors. eta vs tors. theta energy: -15.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -191.875996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.875996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.875996 (E_RNA) where: Base-Base interactions energy: -135.612 where: short stacking energy: -48.856 Base-Backbone interact. energy: -0.074 local terms energy: -56.190615 where: bonds (distance) C4'-P energy: -10.479 bonds (distance) P-C4' energy: -11.765 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -6.189 tors. eta vs tors. theta energy: -14.132 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: 4 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -180.240274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.240274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.240274 (E_RNA) where: Base-Base interactions energy: -122.829 where: short stacking energy: -51.679 Base-Backbone interact. energy: -0.045 local terms energy: -57.366371 where: bonds (distance) C4'-P energy: -11.413 bonds (distance) P-C4' energy: -15.302 flat angles C4'-P-C4' energy: -14.349 flat angles P-C4'-P energy: -2.917 tors. eta vs tors. theta energy: -13.386 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: 259 Temperature: 1.050000 Total energy: -177.445608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.445608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.445608 (E_RNA) where: Base-Base interactions energy: -121.934 where: short stacking energy: -48.198 Base-Backbone interact. energy: -0.113 local terms energy: -55.398773 where: bonds (distance) C4'-P energy: -11.106 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -12.664 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -13.327 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: 259 Temperature: 1.100000 Total energy: -171.180845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.180845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.180845 (E_RNA) where: Base-Base interactions energy: -116.021 where: short stacking energy: -37.283 Base-Backbone interact. energy: -0.081 local terms energy: -55.079194 where: bonds (distance) C4'-P energy: -13.258 bonds (distance) P-C4' energy: -11.315 flat angles C4'-P-C4' energy: -11.944 flat angles P-C4'-P energy: -7.294 tors. eta vs tors. theta energy: -11.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -173.390566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.390566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.390566 (E_RNA) where: Base-Base interactions energy: -115.315 where: short stacking energy: -48.537 Base-Backbone interact. energy: -0.085 local terms energy: -57.991032 where: bonds (distance) C4'-P energy: -14.033 bonds (distance) P-C4' energy: -12.451 flat angles C4'-P-C4' energy: -12.884 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -14.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -168.390902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.390902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.390902 (E_RNA) where: Base-Base interactions energy: -115.063 where: short stacking energy: -47.659 Base-Backbone interact. energy: -0.072 local terms energy: -53.255364 where: bonds (distance) C4'-P energy: -10.298 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -12.282 flat angles P-C4'-P energy: -7.654 tors. eta vs tors. theta energy: -10.458 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: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -73.576105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.576105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.576105 (E_RNA) where: Base-Base interactions energy: -32.636 where: short stacking energy: -26.709 Base-Backbone interact. energy: -0.117 local terms energy: -40.823050 where: bonds (distance) C4'-P energy: -13.180 bonds (distance) P-C4' energy: -9.473 flat angles C4'-P-C4' energy: -8.632 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: -2.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -152.775088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.775088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.775088 (E_RNA) where: Base-Base interactions energy: -103.451 where: short stacking energy: -43.590 Base-Backbone interact. energy: -0.004 local terms energy: -49.320178 where: bonds (distance) C4'-P energy: -11.524 bonds (distance) P-C4' energy: -11.920 flat angles C4'-P-C4' energy: -7.175 flat angles P-C4'-P energy: -8.356 tors. eta vs tors. theta energy: -10.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -68.243445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.243445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.243445 (E_RNA) where: Base-Base interactions energy: -29.345 where: short stacking energy: -29.345 Base-Backbone interact. energy: -0.057 local terms energy: -38.841175 where: bonds (distance) C4'-P energy: -10.589 bonds (distance) P-C4' energy: -7.779 flat angles C4'-P-C4' energy: -9.228 flat angles P-C4'-P energy: -8.075 tors. eta vs tors. theta energy: -3.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -192.004926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.004926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.004926 (E_RNA) where: Base-Base interactions energy: -130.292 where: short stacking energy: -41.457 Base-Backbone interact. energy: -0.729 local terms energy: -60.984374 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -5.730 tors. eta vs tors. theta energy: -15.081 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: 2, replica: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -191.970702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.970702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.970702 (E_RNA) where: Base-Base interactions energy: -136.676 where: short stacking energy: -53.681 Base-Backbone interact. energy: -0.061 local terms energy: -55.233477 where: bonds (distance) C4'-P energy: -10.204 bonds (distance) P-C4' energy: -11.886 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -14.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -185.299898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.299898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.299898 (E_RNA) where: Base-Base interactions energy: -130.887 where: short stacking energy: -49.759 Base-Backbone interact. energy: -0.053 local terms energy: -54.359930 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -10.605 flat angles C4'-P-C4' energy: -14.152 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -19.006 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: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -177.269421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.269421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.269421 (E_RNA) where: Base-Base interactions energy: -123.948 where: short stacking energy: -44.799 Base-Backbone interact. energy: -0.240 local terms energy: -53.081693 where: bonds (distance) C4'-P energy: -13.018 bonds (distance) P-C4' energy: -9.315 flat angles C4'-P-C4' energy: -12.639 flat angles P-C4'-P energy: -5.971 tors. eta vs tors. theta energy: -12.139 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: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -177.145249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.145249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.145249 (E_RNA) where: Base-Base interactions energy: -116.876 where: short stacking energy: -42.237 Base-Backbone interact. energy: -1.372 local terms energy: -58.897142 where: bonds (distance) C4'-P energy: -11.512 bonds (distance) P-C4' energy: -9.535 flat angles C4'-P-C4' energy: -11.859 flat angles P-C4'-P energy: -8.982 tors. eta vs tors. theta energy: -17.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -181.590712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.590712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.590712 (E_RNA) where: Base-Base interactions energy: -126.538 where: short stacking energy: -45.764 Base-Backbone interact. energy: -0.401 local terms energy: -54.652468 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -12.889 flat angles C4'-P-C4' energy: -11.343 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: -12.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -171.026237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.026237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.026237 (E_RNA) where: Base-Base interactions energy: -112.923 where: short stacking energy: -48.767 Base-Backbone interact. energy: -0.927 local terms energy: -57.175657 where: bonds (distance) C4'-P energy: -10.878 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -12.091 flat angles P-C4'-P energy: -8.653 tors. eta vs tors. theta energy: -12.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -78.337412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.337412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.337412 (E_RNA) where: Base-Base interactions energy: -31.531 where: short stacking energy: -27.440 Base-Backbone interact. energy: 0.149 local terms energy: -46.955074 where: bonds (distance) C4'-P energy: -8.602 bonds (distance) P-C4' energy: -13.301 flat angles C4'-P-C4' energy: -13.260 flat angles P-C4'-P energy: -7.771 tors. eta vs tors. theta energy: -4.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -60.614256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.614256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.614256 (E_RNA) where: Base-Base interactions energy: -21.292 where: short stacking energy: -21.292 Base-Backbone interact. energy: -0.092 local terms energy: -39.230880 where: bonds (distance) C4'-P energy: -11.827 bonds (distance) P-C4' energy: -11.849 flat angles C4'-P-C4' energy: -8.729 flat angles P-C4'-P energy: -8.029 tors. eta vs tors. theta energy: 1.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -122.858164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.858164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.858164 (E_RNA) where: Base-Base interactions energy: -85.609 where: short stacking energy: -34.010 Base-Backbone interact. energy: -0.105 local terms energy: -37.144084 where: bonds (distance) C4'-P energy: -10.275 bonds (distance) P-C4' energy: -9.192 flat angles C4'-P-C4' energy: -10.051 flat angles P-C4'-P energy: 1.547 tors. eta vs tors. theta energy: -9.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -190.474573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.474573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.474573 (E_RNA) where: Base-Base interactions energy: -127.241 where: short stacking energy: -51.007 Base-Backbone interact. energy: -0.000 local terms energy: -63.233744 where: bonds (distance) C4'-P energy: -13.308 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -13.810 flat angles P-C4'-P energy: -6.880 tors. eta vs tors. theta energy: -16.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -189.990595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.990595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.990595 (E_RNA) where: Base-Base interactions energy: -129.547 where: short stacking energy: -51.847 Base-Backbone interact. energy: -0.001 local terms energy: -60.442716 where: bonds (distance) C4'-P energy: -12.242 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -10.600 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -17.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -178.898353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.898353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.898353 (E_RNA) where: Base-Base interactions energy: -125.074 where: short stacking energy: -46.811 Base-Backbone interact. energy: -0.002 local terms energy: -53.822514 where: bonds (distance) C4'-P energy: -5.706 bonds (distance) P-C4' energy: -13.097 flat angles C4'-P-C4' energy: -12.053 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: -13.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -180.574060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.574060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.574060 (E_RNA) where: Base-Base interactions energy: -126.802 where: short stacking energy: -45.825 Base-Backbone interact. energy: -0.000 local terms energy: -53.771576 where: bonds (distance) C4'-P energy: -9.737 bonds (distance) P-C4' energy: -13.209 flat angles C4'-P-C4' energy: -10.919 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -14.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -181.148901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.148901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.148901 (E_RNA) where: Base-Base interactions energy: -122.215 where: short stacking energy: -50.264 Base-Backbone interact. energy: 0.027 local terms energy: -58.961507 where: bonds (distance) C4'-P energy: -13.122 bonds (distance) P-C4' energy: -11.800 flat angles C4'-P-C4' energy: -11.686 flat angles P-C4'-P energy: -8.940 tors. eta vs tors. theta energy: -13.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -170.914839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.914839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.914839 (E_RNA) where: Base-Base interactions energy: -116.663 where: short stacking energy: -45.236 Base-Backbone interact. energy: 0.228 local terms energy: -54.480620 where: bonds (distance) C4'-P energy: -8.834 bonds (distance) P-C4' energy: -11.119 flat angles C4'-P-C4' energy: -10.430 flat angles P-C4'-P energy: -9.571 tors. eta vs tors. theta energy: -14.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -174.496245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.496245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.496245 (E_RNA) where: Base-Base interactions energy: -120.713 where: short stacking energy: -45.807 Base-Backbone interact. energy: -0.447 local terms energy: -53.335802 where: bonds (distance) C4'-P energy: -12.030 bonds (distance) P-C4' energy: -8.868 flat angles C4'-P-C4' energy: -14.979 flat angles P-C4'-P energy: -2.035 tors. eta vs tors. theta energy: -15.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -70.279628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.279628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.279628 (E_RNA) where: Base-Base interactions energy: -36.660 where: short stacking energy: -15.852 Base-Backbone interact. energy: -0.627 local terms energy: -32.993371 where: bonds (distance) C4'-P energy: -12.981 bonds (distance) P-C4' energy: -11.301 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: 3.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -68.189526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.189526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.189526 (E_RNA) where: Base-Base interactions energy: -24.101 where: short stacking energy: -24.101 Base-Backbone interact. energy: 0.087 local terms energy: -44.175584 where: bonds (distance) C4'-P energy: -8.895 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -10.183 flat angles P-C4'-P energy: -6.086 tors. eta vs tors. theta energy: -5.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -58.967149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.967149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.967149 (E_RNA) where: Base-Base interactions energy: -25.059 where: short stacking energy: -18.984 Base-Backbone interact. energy: -0.400 local terms energy: -33.507843 where: bonds (distance) C4'-P energy: -10.237 bonds (distance) P-C4' energy: -8.285 flat angles C4'-P-C4' energy: -8.756 flat angles P-C4'-P energy: -6.522 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: 6 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -190.007572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.007572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.007572 (E_RNA) where: Base-Base interactions energy: -122.298 where: short stacking energy: -49.404 Base-Backbone interact. energy: -1.118 local terms energy: -66.591811 where: bonds (distance) C4'-P energy: -11.925 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -13.103 flat angles P-C4'-P energy: -11.181 tors. eta vs tors. theta energy: -15.318 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: 5 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -188.725938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.725938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.725938 (E_RNA) where: Base-Base interactions energy: -127.008 where: short stacking energy: -47.299 Base-Backbone interact. energy: -0.573 local terms energy: -61.145451 where: bonds (distance) C4'-P energy: -11.003 bonds (distance) P-C4' energy: -14.381 flat angles C4'-P-C4' energy: -13.976 flat angles P-C4'-P energy: -6.981 tors. eta vs tors. theta energy: -14.805 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: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -190.958396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.958396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.958396 (E_RNA) where: Base-Base interactions energy: -133.513 where: short stacking energy: -52.806 Base-Backbone interact. energy: -0.101 local terms energy: -57.344242 where: bonds (distance) C4'-P energy: -11.954 bonds (distance) P-C4' energy: -10.741 flat angles C4'-P-C4' energy: -12.331 flat angles P-C4'-P energy: -7.812 tors. eta vs tors. theta energy: -14.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -182.641594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.641594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.641594 (E_RNA) where: Base-Base interactions energy: -119.173 where: short stacking energy: -46.880 Base-Backbone interact. energy: -0.593 local terms energy: -62.875852 where: bonds (distance) C4'-P energy: -14.030 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -11.363 flat angles P-C4'-P energy: -9.428 tors. eta vs tors. theta energy: -14.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -183.827376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.827376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.827376 (E_RNA) where: Base-Base interactions energy: -124.785 where: short stacking energy: -48.865 Base-Backbone interact. energy: -0.031 local terms energy: -59.011145 where: bonds (distance) C4'-P energy: -10.274 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -13.102 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -17.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -165.753091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.753091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.753091 (E_RNA) where: Base-Base interactions energy: -112.878 where: short stacking energy: -44.618 Base-Backbone interact. energy: -0.722 local terms energy: -52.153088 where: bonds (distance) C4'-P energy: -11.773 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -12.610 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -12.003 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: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -161.399094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.399094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.399094 (E_RNA) where: Base-Base interactions energy: -116.405 where: short stacking energy: -50.617 Base-Backbone interact. energy: -0.011 local terms energy: -44.982680 where: bonds (distance) C4'-P energy: -3.632 bonds (distance) P-C4' energy: -13.672 flat angles C4'-P-C4' energy: -10.918 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -11.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -91.123609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.123609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.123609 (E_RNA) where: Base-Base interactions energy: -45.380 where: short stacking energy: -29.826 Base-Backbone interact. energy: -0.026 local terms energy: -45.718050 where: bonds (distance) C4'-P energy: -9.608 bonds (distance) P-C4' energy: -9.207 flat angles C4'-P-C4' energy: -9.457 flat angles P-C4'-P energy: -6.645 tors. eta vs tors. theta energy: -10.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -68.923921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.923921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.923921 (E_RNA) where: Base-Base interactions energy: -23.671 where: short stacking energy: -23.671 Base-Backbone interact. energy: 0.258 local terms energy: -45.511235 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -15.133 flat angles C4'-P-C4' energy: -10.923 flat angles P-C4'-P energy: -6.768 tors. eta vs tors. theta energy: -6.288 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: 1 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -64.299017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.299017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.299017 (E_RNA) where: Base-Base interactions energy: -25.958 where: short stacking energy: -18.691 Base-Backbone interact. energy: -0.027 local terms energy: -38.313941 where: bonds (distance) C4'-P energy: -7.947 bonds (distance) P-C4' energy: -11.171 flat angles C4'-P-C4' energy: -9.493 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -4.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -187.982093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.982093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.982093 (E_RNA) where: Base-Base interactions energy: -125.691 where: short stacking energy: -45.022 Base-Backbone interact. energy: -0.212 local terms energy: -62.079027 where: bonds (distance) C4'-P energy: -12.064 bonds (distance) P-C4' energy: -10.733 flat angles C4'-P-C4' energy: -13.235 flat angles P-C4'-P energy: -10.790 tors. eta vs tors. theta energy: -15.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -184.205221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.205221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.205221 (E_RNA) where: Base-Base interactions energy: -119.154 where: short stacking energy: -48.705 Base-Backbone interact. energy: -0.001 local terms energy: -65.049550 where: bonds (distance) C4'-P energy: -11.826 bonds (distance) P-C4' energy: -13.284 flat angles C4'-P-C4' energy: -13.385 flat angles P-C4'-P energy: -10.044 tors. eta vs tors. theta energy: -16.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -182.477514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.477514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.477514 (E_RNA) where: Base-Base interactions energy: -123.576 where: short stacking energy: -47.713 Base-Backbone interact. energy: 0.481 local terms energy: -59.383456 where: bonds (distance) C4'-P energy: -14.393 bonds (distance) P-C4' energy: -11.507 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -10.065 tors. eta vs tors. theta energy: -16.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -186.266663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.266663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.266663 (E_RNA) where: Base-Base interactions energy: -121.543 where: short stacking energy: -47.100 Base-Backbone interact. energy: -0.048 local terms energy: -64.675774 where: bonds (distance) C4'-P energy: -13.139 bonds (distance) P-C4' energy: -13.702 flat angles C4'-P-C4' energy: -13.470 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: -17.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -171.100713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.100713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.100713 (E_RNA) where: Base-Base interactions energy: -115.155 where: short stacking energy: -41.860 Base-Backbone interact. energy: -0.419 local terms energy: -55.526698 where: bonds (distance) C4'-P energy: -11.437 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -13.014 flat angles P-C4'-P energy: -8.616 tors. eta vs tors. theta energy: -8.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -141.029925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.029925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.029925 (E_RNA) where: Base-Base interactions energy: -100.095 where: short stacking energy: -40.225 Base-Backbone interact. energy: -0.479 local terms energy: -40.455354 where: bonds (distance) C4'-P energy: -10.605 bonds (distance) P-C4' energy: -12.123 flat angles C4'-P-C4' energy: -8.523 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -5.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -168.734095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.734095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.734095 (E_RNA) where: Base-Base interactions energy: -118.307 where: short stacking energy: -43.744 Base-Backbone interact. energy: -0.032 local terms energy: -50.395447 where: bonds (distance) C4'-P energy: -10.245 bonds (distance) P-C4' energy: -10.886 flat angles C4'-P-C4' energy: -14.209 flat angles P-C4'-P energy: -7.939 tors. eta vs tors. theta energy: -7.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -70.560990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.560990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.560990 (E_RNA) where: Base-Base interactions energy: -24.003 where: short stacking energy: -24.003 Base-Backbone interact. energy: -0.033 local terms energy: -46.524249 where: bonds (distance) C4'-P energy: -12.178 bonds (distance) P-C4' energy: -12.501 flat angles C4'-P-C4' energy: -12.135 flat angles P-C4'-P energy: -4.948 tors. eta vs tors. theta energy: -4.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -75.137763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.137763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.137763 (E_RNA) where: Base-Base interactions energy: -28.887 where: short stacking energy: -28.887 Base-Backbone interact. energy: -0.179 local terms energy: -46.072025 where: bonds (distance) C4'-P energy: -10.746 bonds (distance) P-C4' energy: -7.983 flat angles C4'-P-C4' energy: -12.046 flat angles P-C4'-P energy: -9.246 tors. eta vs tors. theta energy: -6.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -70.401003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.401003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.401003 (E_RNA) where: Base-Base interactions energy: -32.375 where: short stacking energy: -24.308 Base-Backbone interact. energy: -0.334 local terms energy: -37.691295 where: bonds (distance) C4'-P energy: -10.775 bonds (distance) P-C4' energy: -10.926 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -186.597300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.597300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.597300 (E_RNA) where: Base-Base interactions energy: -128.166 where: short stacking energy: -47.213 Base-Backbone interact. energy: -0.340 local terms energy: -58.091790 where: bonds (distance) C4'-P energy: -9.380 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -11.619 flat angles P-C4'-P energy: -10.368 tors. eta vs tors. theta energy: -13.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -187.836148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.836148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.836148 (E_RNA) where: Base-Base interactions energy: -126.664 where: short stacking energy: -53.842 Base-Backbone interact. energy: -0.007 local terms energy: -61.165201 where: bonds (distance) C4'-P energy: -11.545 bonds (distance) P-C4' energy: -13.569 flat angles C4'-P-C4' energy: -13.487 flat angles P-C4'-P energy: -7.253 tors. eta vs tors. theta energy: -15.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -182.747191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.747191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.747191 (E_RNA) where: Base-Base interactions energy: -130.483 where: short stacking energy: -50.620 Base-Backbone interact. energy: -0.072 local terms energy: -52.192344 where: bonds (distance) C4'-P energy: -8.863 bonds (distance) P-C4' energy: -13.606 flat angles C4'-P-C4' energy: -9.844 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -14.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -173.147787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.147787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.147787 (E_RNA) where: Base-Base interactions energy: -118.969 where: short stacking energy: -47.406 Base-Backbone interact. energy: 1.022 local terms energy: -55.200765 where: bonds (distance) C4'-P energy: -11.855 bonds (distance) P-C4' energy: -12.105 flat angles C4'-P-C4' energy: -12.530 flat angles P-C4'-P energy: -8.297 tors. eta vs tors. theta energy: -10.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -160.868085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.868085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.868085 (E_RNA) where: Base-Base interactions energy: -104.548 where: short stacking energy: -44.733 Base-Backbone interact. energy: -0.335 local terms energy: -55.985881 where: bonds (distance) C4'-P energy: -12.625 bonds (distance) P-C4' energy: -11.294 flat angles C4'-P-C4' energy: -11.401 flat angles P-C4'-P energy: -8.421 tors. eta vs tors. theta energy: -12.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -168.724724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.724724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.724724 (E_RNA) where: Base-Base interactions energy: -120.210 where: short stacking energy: -49.382 Base-Backbone interact. energy: 0.721 local terms energy: -49.235489 where: bonds (distance) C4'-P energy: -11.360 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -10.034 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -11.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -183.157966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.157966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.157966 (E_RNA) where: Base-Base interactions energy: -124.249 where: short stacking energy: -45.934 Base-Backbone interact. energy: -0.000 local terms energy: -58.908729 where: bonds (distance) C4'-P energy: -14.191 bonds (distance) P-C4' energy: -10.040 flat angles C4'-P-C4' energy: -11.209 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -14.160 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: 10 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -72.339367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.339367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.339367 (E_RNA) where: Base-Base interactions energy: -28.846 where: short stacking energy: -28.846 Base-Backbone interact. energy: -0.312 local terms energy: -43.180843 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -14.872 flat angles C4'-P-C4' energy: -12.472 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -5.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -66.995752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.995752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.995752 (E_RNA) where: Base-Base interactions energy: -29.200 where: short stacking energy: -29.200 Base-Backbone interact. energy: -0.094 local terms energy: -37.702276 where: bonds (distance) C4'-P energy: -11.832 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -10.476 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -2.602 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: 264 Temperature: 1.350000 Total energy: -59.752944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.752944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.752944 (E_RNA) where: Base-Base interactions energy: -15.107 where: short stacking energy: -15.107 Base-Backbone interact. energy: -0.018 local terms energy: -44.628310 where: bonds (distance) C4'-P energy: -11.711 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -12.680 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -3.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -188.483405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.483405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.483405 (E_RNA) where: Base-Base interactions energy: -132.872 where: short stacking energy: -53.580 Base-Backbone interact. energy: -0.053 local terms energy: -55.558626 where: bonds (distance) C4'-P energy: -13.818 bonds (distance) P-C4' energy: -11.769 flat angles C4'-P-C4' energy: -8.652 flat angles P-C4'-P energy: -6.459 tors. eta vs tors. theta energy: -14.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -186.459613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.459613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.459613 (E_RNA) where: Base-Base interactions energy: -127.717 where: short stacking energy: -56.283 Base-Backbone interact. energy: -0.534 local terms energy: -58.208325 where: bonds (distance) C4'-P energy: -9.554 bonds (distance) P-C4' energy: -11.187 flat angles C4'-P-C4' energy: -15.279 flat angles P-C4'-P energy: -6.163 tors. eta vs tors. theta energy: -16.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -179.087016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.087016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.087016 (E_RNA) where: Base-Base interactions energy: -125.887 where: short stacking energy: -53.570 Base-Backbone interact. energy: -0.791 local terms energy: -52.408381 where: bonds (distance) C4'-P energy: -10.650 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -8.886 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -16.203 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: 265 Temperature: 1.050000 Total energy: -169.332958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.332958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.332958 (E_RNA) where: Base-Base interactions energy: -114.532 where: short stacking energy: -41.252 Base-Backbone interact. energy: -0.025 local terms energy: -54.776216 where: bonds (distance) C4'-P energy: -10.721 bonds (distance) P-C4' energy: -11.803 flat angles C4'-P-C4' energy: -12.005 flat angles P-C4'-P energy: -8.989 tors. eta vs tors. theta energy: -11.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -176.958898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.958898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.958898 (E_RNA) where: Base-Base interactions energy: -121.493 where: short stacking energy: -47.847 Base-Backbone interact. energy: -1.130 local terms energy: -54.335800 where: bonds (distance) C4'-P energy: -12.787 bonds (distance) P-C4' energy: -10.556 flat angles C4'-P-C4' energy: -11.101 flat angles P-C4'-P energy: -7.507 tors. eta vs tors. theta energy: -12.385 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: 2 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -183.263989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.263989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.263989 (E_RNA) where: Base-Base interactions energy: -121.708 where: short stacking energy: -50.575 Base-Backbone interact. energy: -0.707 local terms energy: -60.848791 where: bonds (distance) C4'-P energy: -10.585 bonds (distance) P-C4' energy: -14.520 flat angles C4'-P-C4' energy: -13.391 flat angles P-C4'-P energy: -7.239 tors. eta vs tors. theta energy: -15.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -161.873391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.873391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.873391 (E_RNA) where: Base-Base interactions energy: -106.197 where: short stacking energy: -41.157 Base-Backbone interact. energy: -0.092 local terms energy: -55.584044 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -8.417 flat angles P-C4'-P energy: -9.319 tors. eta vs tors. theta energy: -12.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -69.919675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.919675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.919675 (E_RNA) where: Base-Base interactions energy: -24.890 where: short stacking energy: -24.890 Base-Backbone interact. energy: -0.165 local terms energy: -44.865532 where: bonds (distance) C4'-P energy: -13.335 bonds (distance) P-C4' energy: -12.500 flat angles C4'-P-C4' energy: -11.933 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -2.153 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: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -65.594890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.594890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.594890 (E_RNA) where: Base-Base interactions energy: -26.999 where: short stacking energy: -24.734 Base-Backbone interact. energy: -0.636 local terms energy: -37.960353 where: bonds (distance) C4'-P energy: -9.516 bonds (distance) P-C4' energy: -11.153 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -68.938815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.938815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.938815 (E_RNA) where: Base-Base interactions energy: -23.691 where: short stacking energy: -23.691 Base-Backbone interact. energy: -0.113 local terms energy: -45.134772 where: bonds (distance) C4'-P energy: -9.777 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -8.477 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -5.293 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: 3 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -183.945872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.945872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.945872 (E_RNA) where: Base-Base interactions energy: -119.707 where: short stacking energy: -49.120 Base-Backbone interact. energy: -0.227 local terms energy: -64.012720 where: bonds (distance) C4'-P energy: -12.912 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -14.934 flat angles P-C4'-P energy: -6.741 tors. eta vs tors. theta energy: -15.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -186.163979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.163979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.163979 (E_RNA) where: Base-Base interactions energy: -124.118 where: short stacking energy: -48.145 Base-Backbone interact. energy: -0.077 local terms energy: -61.969451 where: bonds (distance) C4'-P energy: -11.583 bonds (distance) P-C4' energy: -11.774 flat angles C4'-P-C4' energy: -14.627 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -17.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -185.709759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.709759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.709759 (E_RNA) where: Base-Base interactions energy: -130.065 where: short stacking energy: -47.913 Base-Backbone interact. energy: -0.105 local terms energy: -55.539566 where: bonds (distance) C4'-P energy: -11.943 bonds (distance) P-C4' energy: -9.533 flat angles C4'-P-C4' energy: -13.843 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -14.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -183.432526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.432526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.432526 (E_RNA) where: Base-Base interactions energy: -123.136 where: short stacking energy: -52.349 Base-Backbone interact. energy: -0.081 local terms energy: -60.216000 where: bonds (distance) C4'-P energy: -10.659 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -12.219 flat angles P-C4'-P energy: -7.997 tors. eta vs tors. theta energy: -14.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -175.556951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.556951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.556951 (E_RNA) where: Base-Base interactions energy: -120.537 where: short stacking energy: -44.753 Base-Backbone interact. energy: -2.004 local terms energy: -53.016238 where: bonds (distance) C4'-P energy: -12.957 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -11.376 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -10.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -177.750027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.750027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.750027 (E_RNA) where: Base-Base interactions energy: -125.727 where: short stacking energy: -52.481 Base-Backbone interact. energy: -0.089 local terms energy: -51.933271 where: bonds (distance) C4'-P energy: -12.725 bonds (distance) P-C4' energy: -11.261 flat angles C4'-P-C4' energy: -12.376 flat angles P-C4'-P energy: 0.129 tors. eta vs tors. theta energy: -15.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -162.630324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.630324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.630324 (E_RNA) where: Base-Base interactions energy: -114.381 where: short stacking energy: -45.349 Base-Backbone interact. energy: -0.566 local terms energy: -47.683947 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -11.964 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -10.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -67.473443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.473443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.473443 (E_RNA) where: Base-Base interactions energy: -28.626 where: short stacking energy: -28.626 Base-Backbone interact. energy: 0.116 local terms energy: -38.963700 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -10.253 flat angles C4'-P-C4' energy: -10.548 flat angles P-C4'-P energy: 0.954 tors. eta vs tors. theta energy: -6.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -64.664428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.664428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.664428 (E_RNA) where: Base-Base interactions energy: -20.181 where: short stacking energy: -20.181 Base-Backbone interact. energy: -0.063 local terms energy: -44.420227 where: bonds (distance) C4'-P energy: -10.953 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -10.860 flat angles P-C4'-P energy: -2.838 tors. eta vs tors. theta energy: -6.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -74.747044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.747044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.747044 (E_RNA) where: Base-Base interactions energy: -37.141 where: short stacking energy: -19.824 Base-Backbone interact. energy: -0.132 local terms energy: -37.475012 where: bonds (distance) C4'-P energy: -8.632 bonds (distance) P-C4' energy: -9.046 flat angles C4'-P-C4' energy: -10.664 flat angles P-C4'-P energy: -7.605 tors. eta vs tors. theta energy: -1.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -189.379866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.379866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.379866 (E_RNA) where: Base-Base interactions energy: -130.188 where: short stacking energy: -52.708 Base-Backbone interact. energy: -0.003 local terms energy: -59.188969 where: bonds (distance) C4'-P energy: -11.459 bonds (distance) P-C4' energy: -11.503 flat angles C4'-P-C4' energy: -14.369 flat angles P-C4'-P energy: -6.290 tors. eta vs tors. theta energy: -15.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -185.383799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.383799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.383799 (E_RNA) where: Base-Base interactions energy: -129.262 where: short stacking energy: -49.259 Base-Backbone interact. energy: -0.453 local terms energy: -55.668072 where: bonds (distance) C4'-P energy: -10.008 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -11.103 flat angles P-C4'-P energy: -8.809 tors. eta vs tors. theta energy: -11.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -181.510643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.510643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.510643 (E_RNA) where: Base-Base interactions energy: -119.076 where: short stacking energy: -47.575 Base-Backbone interact. energy: -0.103 local terms energy: -62.331637 where: bonds (distance) C4'-P energy: -12.699 bonds (distance) P-C4' energy: -13.491 flat angles C4'-P-C4' energy: -13.937 flat angles P-C4'-P energy: -7.588 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: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -179.141746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.141746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.141746 (E_RNA) where: Base-Base interactions energy: -116.124 where: short stacking energy: -44.543 Base-Backbone interact. energy: -0.100 local terms energy: -62.917267 where: bonds (distance) C4'-P energy: -13.604 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -13.481 flat angles P-C4'-P energy: -10.287 tors. eta vs tors. theta energy: -10.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -170.863200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.863200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.863200 (E_RNA) where: Base-Base interactions energy: -111.950 where: short stacking energy: -43.816 Base-Backbone interact. energy: -0.057 local terms energy: -58.856225 where: bonds (distance) C4'-P energy: -10.878 bonds (distance) P-C4' energy: -9.245 flat angles C4'-P-C4' energy: -12.973 flat angles P-C4'-P energy: -11.966 tors. eta vs tors. theta energy: -13.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -173.413498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.413498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.413498 (E_RNA) where: Base-Base interactions energy: -115.230 where: short stacking energy: -41.417 Base-Backbone interact. energy: -0.002 local terms energy: -58.181547 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -10.986 flat angles P-C4'-P energy: -8.575 tors. eta vs tors. theta energy: -11.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -166.545071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.545071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.545071 (E_RNA) where: Base-Base interactions energy: -115.492 where: short stacking energy: -47.320 Base-Backbone interact. energy: -0.673 local terms energy: -50.380584 where: bonds (distance) C4'-P energy: -8.178 bonds (distance) P-C4' energy: -10.756 flat angles C4'-P-C4' energy: -10.453 flat angles P-C4'-P energy: -7.578 tors. eta vs tors. theta energy: -13.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -82.977476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.977476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.977476 (E_RNA) where: Base-Base interactions energy: -39.709 where: short stacking energy: -14.796 Base-Backbone interact. energy: 0.182 local terms energy: -43.450660 where: bonds (distance) C4'-P energy: -14.653 bonds (distance) P-C4' energy: -12.380 flat angles C4'-P-C4' energy: -11.085 flat angles P-C4'-P energy: -6.353 tors. eta vs tors. theta energy: 1.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -72.804974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.804974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.804974 (E_RNA) where: Base-Base interactions energy: -25.986 where: short stacking energy: -25.131 Base-Backbone interact. energy: 0.404 local terms energy: -47.222612 where: bonds (distance) C4'-P energy: -11.173 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -11.104 flat angles P-C4'-P energy: -8.840 tors. eta vs tors. theta energy: -2.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -63.857683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.857683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.857683 (E_RNA) where: Base-Base interactions energy: -22.285 where: short stacking energy: -20.548 Base-Backbone interact. energy: -0.072 local terms energy: -41.500455 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -9.978 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -0.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -188.383233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.383233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.383233 (E_RNA) where: Base-Base interactions energy: -130.046 where: short stacking energy: -50.689 Base-Backbone interact. energy: -0.005 local terms energy: -58.331692 where: bonds (distance) C4'-P energy: -12.055 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -11.601 flat angles P-C4'-P energy: -7.315 tors. eta vs tors. theta energy: -14.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -190.850139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.850139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.850139 (E_RNA) where: Base-Base interactions energy: -132.634 where: short stacking energy: -53.909 Base-Backbone interact. energy: -0.009 local terms energy: -58.207624 where: bonds (distance) C4'-P energy: -12.181 bonds (distance) P-C4' energy: -7.945 flat angles C4'-P-C4' energy: -11.127 flat angles P-C4'-P energy: -8.992 tors. eta vs tors. theta energy: -17.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -180.357246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.357246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.357246 (E_RNA) where: Base-Base interactions energy: -117.995 where: short stacking energy: -43.564 Base-Backbone interact. energy: -0.003 local terms energy: -62.358788 where: bonds (distance) C4'-P energy: -13.574 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -11.927 flat angles P-C4'-P energy: -10.673 tors. eta vs tors. theta energy: -14.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -183.242331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.242331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.242331 (E_RNA) where: Base-Base interactions energy: -131.733 where: short stacking energy: -45.316 Base-Backbone interact. energy: -0.082 local terms energy: -51.427501 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -12.752 flat angles C4'-P-C4' energy: -9.934 flat angles P-C4'-P energy: -8.868 tors. eta vs tors. theta energy: -10.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -163.786902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.786902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.786902 (E_RNA) where: Base-Base interactions energy: -113.997 where: short stacking energy: -42.477 Base-Backbone interact. energy: -0.030 local terms energy: -49.759363 where: bonds (distance) C4'-P energy: -4.884 bonds (distance) P-C4' energy: -11.214 flat angles C4'-P-C4' energy: -13.337 flat angles P-C4'-P energy: -8.176 tors. eta vs tors. theta energy: -12.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -174.659460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.659460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.659460 (E_RNA) where: Base-Base interactions energy: -111.345 where: short stacking energy: -48.785 Base-Backbone interact. energy: -0.948 local terms energy: -62.366521 where: bonds (distance) C4'-P energy: -12.390 bonds (distance) P-C4' energy: -11.986 flat angles C4'-P-C4' energy: -13.173 flat angles P-C4'-P energy: -9.816 tors. eta vs tors. theta energy: -15.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -175.856860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.856860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.856860 (E_RNA) where: Base-Base interactions energy: -117.395 where: short stacking energy: -47.509 Base-Backbone interact. energy: -0.339 local terms energy: -58.123091 where: bonds (distance) C4'-P energy: -12.891 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -11.005 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -14.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -69.632950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.632950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.632950 (E_RNA) where: Base-Base interactions energy: -27.261 where: short stacking energy: -19.457 Base-Backbone interact. energy: 1.597 local terms energy: -43.969443 where: bonds (distance) C4'-P energy: -9.306 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -9.892 flat angles P-C4'-P energy: -8.577 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -73.438877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.438877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.438877 (E_RNA) where: Base-Base interactions energy: -41.624 where: short stacking energy: -29.396 Base-Backbone interact. energy: -1.042 local terms energy: -30.773712 where: bonds (distance) C4'-P energy: -10.605 bonds (distance) P-C4' energy: -8.151 flat angles C4'-P-C4' energy: -1.976 flat angles P-C4'-P energy: -8.250 tors. eta vs tors. theta energy: -1.792 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: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -74.999964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.999964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.999964 (E_RNA) where: Base-Base interactions energy: -39.021 where: short stacking energy: -21.459 Base-Backbone interact. energy: 2.569 local terms energy: -38.548082 where: bonds (distance) C4'-P energy: -9.894 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -8.950 tors. eta vs tors. theta energy: 0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -191.040384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.040384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.040384 (E_RNA) where: Base-Base interactions energy: -129.847 where: short stacking energy: -50.291 Base-Backbone interact. energy: -0.368 local terms energy: -60.824841 where: bonds (distance) C4'-P energy: -7.753 bonds (distance) P-C4' energy: -11.292 flat angles C4'-P-C4' energy: -14.838 flat angles P-C4'-P energy: -11.134 tors. eta vs tors. theta energy: -15.808 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: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -182.376034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.376034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.376034 (E_RNA) where: Base-Base interactions energy: -119.588 where: short stacking energy: -52.356 Base-Backbone interact. energy: -0.669 local terms energy: -62.118950 where: bonds (distance) C4'-P energy: -13.057 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -13.489 flat angles P-C4'-P energy: -7.164 tors. eta vs tors. theta energy: -14.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -178.596046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.596046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.596046 (E_RNA) where: Base-Base interactions energy: -119.931 where: short stacking energy: -49.345 Base-Backbone interact. energy: -0.000 local terms energy: -58.664518 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -10.110 flat angles C4'-P-C4' energy: -12.230 flat angles P-C4'-P energy: -10.434 tors. eta vs tors. theta energy: -13.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -183.429285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.429285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.429285 (E_RNA) where: Base-Base interactions energy: -130.155 where: short stacking energy: -46.294 Base-Backbone interact. energy: -0.425 local terms energy: -52.849403 where: bonds (distance) C4'-P energy: -6.755 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -14.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -181.417331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.417331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.417331 (E_RNA) where: Base-Base interactions energy: -123.638 where: short stacking energy: -43.162 Base-Backbone interact. energy: -0.032 local terms energy: -57.747256 where: bonds (distance) C4'-P energy: -11.062 bonds (distance) P-C4' energy: -12.125 flat angles C4'-P-C4' energy: -13.417 flat angles P-C4'-P energy: -8.019 tors. eta vs tors. theta energy: -13.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -176.107527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.107527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.107527 (E_RNA) where: Base-Base interactions energy: -116.757 where: short stacking energy: -45.845 Base-Backbone interact. energy: -0.001 local terms energy: -59.349321 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -7.656 flat angles C4'-P-C4' energy: -14.326 flat angles P-C4'-P energy: -10.404 tors. eta vs tors. theta energy: -15.132 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: 8 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -171.911371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.911371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.911371 (E_RNA) where: Base-Base interactions energy: -118.501 where: short stacking energy: -42.179 Base-Backbone interact. energy: 1.063 local terms energy: -54.473172 where: bonds (distance) C4'-P energy: -12.010 bonds (distance) P-C4' energy: -10.695 flat angles C4'-P-C4' energy: -11.357 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: -11.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -74.551646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.551646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.551646 (E_RNA) where: Base-Base interactions energy: -35.936 where: short stacking energy: -26.626 Base-Backbone interact. energy: -0.011 local terms energy: -38.603831 where: bonds (distance) C4'-P energy: -11.065 bonds (distance) P-C4' energy: -11.238 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -6.124 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: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -68.439150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.439150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.439150 (E_RNA) where: Base-Base interactions energy: -21.654 where: short stacking energy: -21.562 Base-Backbone interact. energy: -0.030 local terms energy: -46.755284 where: bonds (distance) C4'-P energy: -10.967 bonds (distance) P-C4' energy: -9.812 flat angles C4'-P-C4' energy: -11.987 flat angles P-C4'-P energy: -10.397 tors. eta vs tors. theta energy: -3.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -68.474481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.474481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.474481 (E_RNA) where: Base-Base interactions energy: -23.187 where: short stacking energy: -23.187 Base-Backbone interact. energy: -0.127 local terms energy: -45.161017 where: bonds (distance) C4'-P energy: -13.230 bonds (distance) P-C4' energy: -10.963 flat angles C4'-P-C4' energy: -11.866 flat angles P-C4'-P energy: -8.703 tors. eta vs tors. theta energy: -0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -185.800858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.800858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.800858 (E_RNA) where: Base-Base interactions energy: -126.731 where: short stacking energy: -51.480 Base-Backbone interact. energy: -0.001 local terms energy: -59.069339 where: bonds (distance) C4'-P energy: -12.083 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -10.064 flat angles P-C4'-P energy: -9.613 tors. eta vs tors. theta energy: -13.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -179.915004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.915004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.915004 (E_RNA) where: Base-Base interactions energy: -120.735 where: short stacking energy: -45.434 Base-Backbone interact. energy: -0.000 local terms energy: -59.180181 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -13.187 flat angles C4'-P-C4' energy: -13.290 flat angles P-C4'-P energy: -7.284 tors. eta vs tors. theta energy: -12.997 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: 270 Temperature: 1.000000 Total energy: -184.485598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.485598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.485598 (E_RNA) where: Base-Base interactions energy: -128.174 where: short stacking energy: -53.968 Base-Backbone interact. energy: -0.175 local terms energy: -56.136115 where: bonds (distance) C4'-P energy: -9.265 bonds (distance) P-C4' energy: -15.806 flat angles C4'-P-C4' energy: -11.265 flat angles P-C4'-P energy: -6.297 tors. eta vs tors. theta energy: -13.503 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: 270 Temperature: 1.050000 Total energy: -179.143596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.143596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.143596 (E_RNA) where: Base-Base interactions energy: -118.080 where: short stacking energy: -47.048 Base-Backbone interact. energy: -0.591 local terms energy: -60.472405 where: bonds (distance) C4'-P energy: -10.832 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -14.211 flat angles P-C4'-P energy: -8.077 tors. eta vs tors. theta energy: -13.407 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: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -175.782916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.782916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.782916 (E_RNA) where: Base-Base interactions energy: -116.548 where: short stacking energy: -47.773 Base-Backbone interact. energy: -0.380 local terms energy: -58.854887 where: bonds (distance) C4'-P energy: -11.587 bonds (distance) P-C4' energy: -13.283 flat angles C4'-P-C4' energy: -12.692 flat angles P-C4'-P energy: -10.671 tors. eta vs tors. theta energy: -10.623 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: 4 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -169.177747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.177747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.177747 (E_RNA) where: Base-Base interactions energy: -120.809 where: short stacking energy: -44.286 Base-Backbone interact. energy: -0.101 local terms energy: -48.267989 where: bonds (distance) C4'-P energy: -9.706 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -8.919 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -12.904 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: 8 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -168.306270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.306270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.306270 (E_RNA) where: Base-Base interactions energy: -115.837 where: short stacking energy: -49.636 Base-Backbone interact. energy: -0.061 local terms energy: -52.408094 where: bonds (distance) C4'-P energy: -10.989 bonds (distance) P-C4' energy: -9.316 flat angles C4'-P-C4' energy: -13.067 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: -11.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -65.293286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.293286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.293286 (E_RNA) where: Base-Base interactions energy: -23.847 where: short stacking energy: -23.847 Base-Backbone interact. energy: -0.122 local terms energy: -41.324696 where: bonds (distance) C4'-P energy: -9.012 bonds (distance) P-C4' energy: -10.228 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -8.997 tors. eta vs tors. theta energy: -0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -76.858433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.858433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.858433 (E_RNA) where: Base-Base interactions energy: -39.632 where: short stacking energy: -18.672 Base-Backbone interact. energy: -0.283 local terms energy: -36.943196 where: bonds (distance) C4'-P energy: -11.333 bonds (distance) P-C4' energy: -11.508 flat angles C4'-P-C4' energy: -12.461 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: 2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -77.663029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.663029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.663029 (E_RNA) where: Base-Base interactions energy: -32.109 where: short stacking energy: -21.334 Base-Backbone interact. energy: -0.137 local terms energy: -45.417587 where: bonds (distance) C4'-P energy: -11.910 bonds (distance) P-C4' energy: -12.366 flat angles C4'-P-C4' energy: -9.309 flat angles P-C4'-P energy: -8.780 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -191.858964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.858964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.858964 (E_RNA) where: Base-Base interactions energy: -132.387 where: short stacking energy: -58.812 Base-Backbone interact. energy: -0.390 local terms energy: -59.082441 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -11.975 flat angles P-C4'-P energy: -6.993 tors. eta vs tors. theta energy: -14.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -186.091061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.091061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.091061 (E_RNA) where: Base-Base interactions energy: -127.169 where: short stacking energy: -54.401 Base-Backbone interact. energy: -0.189 local terms energy: -58.732622 where: bonds (distance) C4'-P energy: -12.870 bonds (distance) P-C4' energy: -12.952 flat angles C4'-P-C4' energy: -9.363 flat angles P-C4'-P energy: -7.435 tors. eta vs tors. theta energy: -16.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -184.517817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.517817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.517817 (E_RNA) where: Base-Base interactions energy: -120.122 where: short stacking energy: -50.444 Base-Backbone interact. energy: -0.001 local terms energy: -64.394735 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -14.668 flat angles C4'-P-C4' energy: -13.850 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: -18.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -181.938665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.938665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.938665 (E_RNA) where: Base-Base interactions energy: -123.424 where: short stacking energy: -47.823 Base-Backbone interact. energy: -0.248 local terms energy: -58.266638 where: bonds (distance) C4'-P energy: -11.428 bonds (distance) P-C4' energy: -12.591 flat angles C4'-P-C4' energy: -11.030 flat angles P-C4'-P energy: -6.517 tors. eta vs tors. theta energy: -16.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -170.892526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.892526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.892526 (E_RNA) where: Base-Base interactions energy: -113.157 where: short stacking energy: -45.665 Base-Backbone interact. energy: -0.048 local terms energy: -57.687524 where: bonds (distance) C4'-P energy: -13.782 bonds (distance) P-C4' energy: -12.341 flat angles C4'-P-C4' energy: -12.810 flat angles P-C4'-P energy: -6.029 tors. eta vs tors. theta energy: -12.726 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: 6, replica: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -165.186782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.186782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.186782 (E_RNA) where: Base-Base interactions energy: -117.478 where: short stacking energy: -42.396 Base-Backbone interact. energy: 0.139 local terms energy: -47.847446 where: bonds (distance) C4'-P energy: -7.848 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -6.684 tors. eta vs tors. theta energy: -10.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -166.097931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.097931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.097931 (E_RNA) where: Base-Base interactions energy: -113.396 where: short stacking energy: -47.951 Base-Backbone interact. energy: 0.032 local terms energy: -52.734582 where: bonds (distance) C4'-P energy: -9.782 bonds (distance) P-C4' energy: -9.430 flat angles C4'-P-C4' energy: -12.817 flat angles P-C4'-P energy: -7.523 tors. eta vs tors. theta energy: -13.183 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: 8, replica: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -65.478984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.478984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.478984 (E_RNA) where: Base-Base interactions energy: -24.702 where: short stacking energy: -24.702 Base-Backbone interact. energy: 1.442 local terms energy: -42.219313 where: bonds (distance) C4'-P energy: -11.367 bonds (distance) P-C4' energy: -13.981 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -5.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -63.631349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.631349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.631349 (E_RNA) where: Base-Base interactions energy: -19.762 where: short stacking energy: -17.747 Base-Backbone interact. energy: -0.183 local terms energy: -43.685887 where: bonds (distance) C4'-P energy: -11.313 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -8.304 flat angles P-C4'-P energy: -6.672 tors. eta vs tors. theta energy: -4.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -68.125977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.125977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.125977 (E_RNA) where: Base-Base interactions energy: -25.203 where: short stacking energy: -16.520 Base-Backbone interact. energy: 0.573 local terms energy: -43.495944 where: bonds (distance) C4'-P energy: -15.312 bonds (distance) P-C4' energy: -12.960 flat angles C4'-P-C4' energy: -9.118 flat angles P-C4'-P energy: -8.751 tors. eta vs tors. theta energy: 2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -188.250897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.250897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.250897 (E_RNA) where: Base-Base interactions energy: -129.029 where: short stacking energy: -48.055 Base-Backbone interact. energy: -0.087 local terms energy: -59.134575 where: bonds (distance) C4'-P energy: -10.978 bonds (distance) P-C4' energy: -11.316 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: -6.379 tors. eta vs tors. theta energy: -17.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -188.368026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.368026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.368026 (E_RNA) where: Base-Base interactions energy: -125.151 where: short stacking energy: -50.975 Base-Backbone interact. energy: -0.687 local terms energy: -62.530347 where: bonds (distance) C4'-P energy: -13.545 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -12.794 flat angles P-C4'-P energy: -7.711 tors. eta vs tors. theta energy: -14.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -181.168845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.168845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.168845 (E_RNA) where: Base-Base interactions energy: -125.643 where: short stacking energy: -50.895 Base-Backbone interact. energy: -0.492 local terms energy: -55.034332 where: bonds (distance) C4'-P energy: -9.752 bonds (distance) P-C4' energy: -10.351 flat angles C4'-P-C4' energy: -13.219 flat angles P-C4'-P energy: -5.148 tors. eta vs tors. theta energy: -16.564 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: 4, replica: 6 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -187.148284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.148284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.148284 (E_RNA) where: Base-Base interactions energy: -125.458 where: short stacking energy: -52.402 Base-Backbone interact. energy: -0.000 local terms energy: -61.690629 where: bonds (distance) C4'-P energy: -10.761 bonds (distance) P-C4' energy: -10.830 flat angles C4'-P-C4' energy: -13.485 flat angles P-C4'-P energy: -10.227 tors. eta vs tors. theta energy: -16.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -176.803952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.803952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.803952 (E_RNA) where: Base-Base interactions energy: -118.774 where: short stacking energy: -52.299 Base-Backbone interact. energy: -0.010 local terms energy: -58.019884 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -12.558 flat angles P-C4'-P energy: -9.982 tors. eta vs tors. theta energy: -12.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -178.468892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.468892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.468892 (E_RNA) where: Base-Base interactions energy: -122.963 where: short stacking energy: -48.091 Base-Backbone interact. energy: -0.617 local terms energy: -54.889519 where: bonds (distance) C4'-P energy: -13.105 bonds (distance) P-C4' energy: -9.830 flat angles C4'-P-C4' energy: -9.715 flat angles P-C4'-P energy: -12.302 tors. eta vs tors. theta energy: -9.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -170.268768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.268768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.268768 (E_RNA) where: Base-Base interactions energy: -115.869 where: short stacking energy: -44.764 Base-Backbone interact. energy: -0.343 local terms energy: -54.057366 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -11.351 flat angles P-C4'-P energy: -10.205 tors. eta vs tors. theta energy: -12.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -63.438273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.438273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.438273 (E_RNA) where: Base-Base interactions energy: -26.274 where: short stacking energy: -25.775 Base-Backbone interact. energy: -0.051 local terms energy: -37.113612 where: bonds (distance) C4'-P energy: -9.840 bonds (distance) P-C4' energy: -3.797 flat angles C4'-P-C4' energy: -10.839 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -3.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -69.348384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.348384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.348384 (E_RNA) where: Base-Base interactions energy: -24.471 where: short stacking energy: -25.471 Base-Backbone interact. energy: -0.729 local terms energy: -44.148643 where: bonds (distance) C4'-P energy: -11.172 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -7.032 tors. eta vs tors. theta energy: -7.066 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: 10, replica: 7 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -60.221484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.221484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.221484 (E_RNA) where: Base-Base interactions energy: -24.405 where: short stacking energy: -15.827 Base-Backbone interact. energy: 0.400 local terms energy: -36.217188 where: bonds (distance) C4'-P energy: -10.390 bonds (distance) P-C4' energy: -11.207 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -7.818 tors. eta vs tors. theta energy: -1.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -186.182045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.182045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.182045 (E_RNA) where: Base-Base interactions energy: -130.256 where: short stacking energy: -51.829 Base-Backbone interact. energy: -0.121 local terms energy: -55.804463 where: bonds (distance) C4'-P energy: -10.084 bonds (distance) P-C4' energy: -11.690 flat angles C4'-P-C4' energy: -12.908 flat angles P-C4'-P energy: -7.949 tors. eta vs tors. theta energy: -13.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -183.720786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.720786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.720786 (E_RNA) where: Base-Base interactions energy: -127.001 where: short stacking energy: -43.941 Base-Backbone interact. energy: -0.665 local terms energy: -56.054801 where: bonds (distance) C4'-P energy: -10.870 bonds (distance) P-C4' energy: -12.781 flat angles C4'-P-C4' energy: -12.824 flat angles P-C4'-P energy: -6.398 tors. eta vs tors. theta energy: -13.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -183.748157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.748157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.748157 (E_RNA) where: Base-Base interactions energy: -123.472 where: short stacking energy: -52.237 Base-Backbone interact. energy: -0.006 local terms energy: -60.269504 where: bonds (distance) C4'-P energy: -9.864 bonds (distance) P-C4' energy: -12.601 flat angles C4'-P-C4' energy: -14.067 flat angles P-C4'-P energy: -9.379 tors. eta vs tors. theta energy: -14.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -184.104894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.104894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.104894 (E_RNA) where: Base-Base interactions energy: -123.538 where: short stacking energy: -47.477 Base-Backbone interact. energy: -0.114 local terms energy: -60.452490 where: bonds (distance) C4'-P energy: -11.890 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -11.718 flat angles P-C4'-P energy: -10.368 tors. eta vs tors. theta energy: -12.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -177.511774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.511774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.511774 (E_RNA) where: Base-Base interactions energy: -117.285 where: short stacking energy: -47.569 Base-Backbone interact. energy: -0.001 local terms energy: -60.226027 where: bonds (distance) C4'-P energy: -11.462 bonds (distance) P-C4' energy: -10.387 flat angles C4'-P-C4' energy: -14.360 flat angles P-C4'-P energy: -9.243 tors. eta vs tors. theta energy: -14.775 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: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -178.062333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.062333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.062333 (E_RNA) where: Base-Base interactions energy: -117.969 where: short stacking energy: -50.118 Base-Backbone interact. energy: -0.214 local terms energy: -59.879348 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -14.697 flat angles P-C4'-P energy: -4.654 tors. eta vs tors. theta energy: -13.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -176.526524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.526524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.526524 (E_RNA) where: Base-Base interactions energy: -121.484 where: short stacking energy: -51.146 Base-Backbone interact. energy: -0.267 local terms energy: -54.775088 where: bonds (distance) C4'-P energy: -12.999 bonds (distance) P-C4' energy: -11.952 flat angles C4'-P-C4' energy: -10.988 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: -12.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -84.723505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.723505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.723505 (E_RNA) where: Base-Base interactions energy: -35.207 where: short stacking energy: -32.731 Base-Backbone interact. energy: -0.125 local terms energy: -49.391686 where: bonds (distance) C4'-P energy: -13.540 bonds (distance) P-C4' energy: -11.365 flat angles C4'-P-C4' energy: -12.269 flat angles P-C4'-P energy: -8.104 tors. eta vs tors. theta energy: -4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -90.758080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.758080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.758080 (E_RNA) where: Base-Base interactions energy: -51.412 where: short stacking energy: -33.548 Base-Backbone interact. energy: -0.524 local terms energy: -38.822622 where: bonds (distance) C4'-P energy: -11.226 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -10.423 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -5.554 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: 7 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -75.298189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.298189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.298189 (E_RNA) where: Base-Base interactions energy: -28.767 where: short stacking energy: -16.604 Base-Backbone interact. energy: -0.038 local terms energy: -46.492694 where: bonds (distance) C4'-P energy: -13.976 bonds (distance) P-C4' energy: -12.343 flat angles C4'-P-C4' energy: -11.265 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -189.050405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.050405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.050405 (E_RNA) where: Base-Base interactions energy: -129.449 where: short stacking energy: -55.397 Base-Backbone interact. energy: -0.506 local terms energy: -59.095425 where: bonds (distance) C4'-P energy: -12.827 bonds (distance) P-C4' energy: -11.441 flat angles C4'-P-C4' energy: -14.397 flat angles P-C4'-P energy: -6.835 tors. eta vs tors. theta energy: -13.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -190.167600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.167600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.167600 (E_RNA) where: Base-Base interactions energy: -131.657 where: short stacking energy: -46.099 Base-Backbone interact. energy: -0.357 local terms energy: -58.153729 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -12.761 flat angles C4'-P-C4' energy: -11.376 flat angles P-C4'-P energy: -6.899 tors. eta vs tors. theta energy: -14.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -180.808790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.808790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.808790 (E_RNA) where: Base-Base interactions energy: -119.806 where: short stacking energy: -45.925 Base-Backbone interact. energy: 0.009 local terms energy: -61.011252 where: bonds (distance) C4'-P energy: -13.114 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -11.555 flat angles P-C4'-P energy: -10.721 tors. eta vs tors. theta energy: -12.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -179.361868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.361868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.361868 (E_RNA) where: Base-Base interactions energy: -115.534 where: short stacking energy: -50.273 Base-Backbone interact. energy: -0.000 local terms energy: -63.827997 where: bonds (distance) C4'-P energy: -11.383 bonds (distance) P-C4' energy: -15.591 flat angles C4'-P-C4' energy: -11.565 flat angles P-C4'-P energy: -10.624 tors. eta vs tors. theta energy: -14.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -172.096425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.096425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.096425 (E_RNA) where: Base-Base interactions energy: -115.915 where: short stacking energy: -42.385 Base-Backbone interact. energy: -0.090 local terms energy: -56.091037 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -13.103 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -8.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -172.688381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.688381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.688381 (E_RNA) where: Base-Base interactions energy: -109.745 where: short stacking energy: -42.310 Base-Backbone interact. energy: -0.437 local terms energy: -62.505716 where: bonds (distance) C4'-P energy: -13.905 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -13.853 flat angles P-C4'-P energy: -7.372 tors. eta vs tors. theta energy: -14.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -168.420097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.420097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.420097 (E_RNA) where: Base-Base interactions energy: -113.833 where: short stacking energy: -51.093 Base-Backbone interact. energy: -0.283 local terms energy: -54.304448 where: bonds (distance) C4'-P energy: -11.186 bonds (distance) P-C4' energy: -10.744 flat angles C4'-P-C4' energy: -13.015 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: -13.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -69.630706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.630706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.630706 (E_RNA) where: Base-Base interactions energy: -23.174 where: short stacking energy: -20.922 Base-Backbone interact. energy: 0.762 local terms energy: -47.218774 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -10.771 flat angles P-C4'-P energy: -6.776 tors. eta vs tors. theta energy: -4.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -78.819507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.819507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.819507 (E_RNA) where: Base-Base interactions energy: -31.852 where: short stacking energy: -26.537 Base-Backbone interact. energy: 0.239 local terms energy: -47.206115 where: bonds (distance) C4'-P energy: -8.879 bonds (distance) P-C4' energy: -11.486 flat angles C4'-P-C4' energy: -10.837 flat angles P-C4'-P energy: -10.447 tors. eta vs tors. theta energy: -5.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -65.382639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.382639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.382639 (E_RNA) where: Base-Base interactions energy: -27.908 where: short stacking energy: -25.900 Base-Backbone interact. energy: -0.013 local terms energy: -37.461448 where: bonds (distance) C4'-P energy: -10.307 bonds (distance) P-C4' energy: -9.423 flat angles C4'-P-C4' energy: -7.815 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: -4.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -189.388943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.388943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.388943 (E_RNA) where: Base-Base interactions energy: -126.976 where: short stacking energy: -54.903 Base-Backbone interact. energy: -0.066 local terms energy: -62.346947 where: bonds (distance) C4'-P energy: -10.854 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -12.456 flat angles P-C4'-P energy: -6.875 tors. eta vs tors. theta energy: -17.513 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: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -188.325485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.325485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.325485 (E_RNA) where: Base-Base interactions energy: -124.252 where: short stacking energy: -48.729 Base-Backbone interact. energy: 0.030 local terms energy: -64.103296 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -14.243 flat angles P-C4'-P energy: -7.453 tors. eta vs tors. theta energy: -15.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -183.896277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.896277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.896277 (E_RNA) where: Base-Base interactions energy: -122.738 where: short stacking energy: -51.059 Base-Backbone interact. energy: -0.237 local terms energy: -60.921484 where: bonds (distance) C4'-P energy: -11.695 bonds (distance) P-C4' energy: -12.299 flat angles C4'-P-C4' energy: -15.225 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -17.039 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: 4 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -181.892666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.892666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.892666 (E_RNA) where: Base-Base interactions energy: -119.629 where: short stacking energy: -47.015 Base-Backbone interact. energy: -0.088 local terms energy: -62.175628 where: bonds (distance) C4'-P energy: -12.238 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -11.802 flat angles P-C4'-P energy: -10.123 tors. eta vs tors. theta energy: -14.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -176.488446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.488446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.488446 (E_RNA) where: Base-Base interactions energy: -122.056 where: short stacking energy: -44.900 Base-Backbone interact. energy: -0.004 local terms energy: -54.428735 where: bonds (distance) C4'-P energy: -10.254 bonds (distance) P-C4' energy: -12.498 flat angles C4'-P-C4' energy: -12.907 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -13.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -168.862260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.862260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.862260 (E_RNA) where: Base-Base interactions energy: -107.059 where: short stacking energy: -42.579 Base-Backbone interact. energy: -0.012 local terms energy: -61.791798 where: bonds (distance) C4'-P energy: -13.364 bonds (distance) P-C4' energy: -13.040 flat angles C4'-P-C4' energy: -12.408 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -14.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -171.094871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.094871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.094871 (E_RNA) where: Base-Base interactions energy: -113.499 where: short stacking energy: -43.077 Base-Backbone interact. energy: -0.007 local terms energy: -57.589025 where: bonds (distance) C4'-P energy: -12.816 bonds (distance) P-C4' energy: -12.208 flat angles C4'-P-C4' energy: -10.922 flat angles P-C4'-P energy: -9.939 tors. eta vs tors. theta energy: -11.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -78.281607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.281607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.281607 (E_RNA) where: Base-Base interactions energy: -38.249 where: short stacking energy: -21.646 Base-Backbone interact. energy: 0.292 local terms energy: -40.324809 where: bonds (distance) C4'-P energy: -12.278 bonds (distance) P-C4' energy: -8.918 flat angles C4'-P-C4' energy: -8.889 flat angles P-C4'-P energy: -11.075 tors. eta vs tors. theta energy: 0.835 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: 10 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -69.906996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.906996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.906996 (E_RNA) where: Base-Base interactions energy: -24.588 where: short stacking energy: -16.600 Base-Backbone interact. energy: -0.359 local terms energy: -44.959916 where: bonds (distance) C4'-P energy: -12.609 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -9.032 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -2.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -67.473544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.473544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.473544 (E_RNA) where: Base-Base interactions energy: -35.258 where: short stacking energy: -12.546 Base-Backbone interact. energy: -0.514 local terms energy: -31.701978 where: bonds (distance) C4'-P energy: -10.949 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -10.164 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: 6.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -186.598151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.598151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.598151 (E_RNA) where: Base-Base interactions energy: -126.631 where: short stacking energy: -53.415 Base-Backbone interact. energy: -0.002 local terms energy: -59.965390 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -10.282 flat angles P-C4'-P energy: -5.727 tors. eta vs tors. theta energy: -15.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -183.145823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.145823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.145823 (E_RNA) where: Base-Base interactions energy: -119.212 where: short stacking energy: -45.529 Base-Backbone interact. energy: -0.848 local terms energy: -63.085540 where: bonds (distance) C4'-P energy: -14.240 bonds (distance) P-C4' energy: -14.114 flat angles C4'-P-C4' energy: -14.288 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -16.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -188.230766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.230766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.230766 (E_RNA) where: Base-Base interactions energy: -130.339 where: short stacking energy: -55.736 Base-Backbone interact. energy: -0.389 local terms energy: -57.503575 where: bonds (distance) C4'-P energy: -8.962 bonds (distance) P-C4' energy: -10.951 flat angles C4'-P-C4' energy: -12.298 flat angles P-C4'-P energy: -8.362 tors. eta vs tors. theta energy: -16.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -176.791347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.791347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.791347 (E_RNA) where: Base-Base interactions energy: -129.281 where: short stacking energy: -50.734 Base-Backbone interact. energy: -0.005 local terms energy: -47.505143 where: bonds (distance) C4'-P energy: -8.440 bonds (distance) P-C4' energy: -11.641 flat angles C4'-P-C4' energy: -11.884 flat angles P-C4'-P energy: -2.728 tors. eta vs tors. theta energy: -12.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -179.132912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.132912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.132912 (E_RNA) where: Base-Base interactions energy: -119.499 where: short stacking energy: -47.166 Base-Backbone interact. energy: -0.085 local terms energy: -59.548676 where: bonds (distance) C4'-P energy: -10.684 bonds (distance) P-C4' energy: -8.944 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -9.936 tors. eta vs tors. theta energy: -16.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -176.270805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.270805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.270805 (E_RNA) where: Base-Base interactions energy: -123.779 where: short stacking energy: -44.900 Base-Backbone interact. energy: -0.142 local terms energy: -52.350111 where: bonds (distance) C4'-P energy: -12.295 bonds (distance) P-C4' energy: -11.331 flat angles C4'-P-C4' energy: -11.483 flat angles P-C4'-P energy: -6.748 tors. eta vs tors. theta energy: -10.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -101.804714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.804714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.804714 (E_RNA) where: Base-Base interactions energy: -53.555 where: short stacking energy: -22.214 Base-Backbone interact. energy: 0.110 local terms energy: -48.359492 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -12.116 flat angles C4'-P-C4' energy: -10.849 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -6.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -172.451951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.451951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.451951 (E_RNA) where: Base-Base interactions energy: -116.488 where: short stacking energy: -44.179 Base-Backbone interact. energy: -0.000 local terms energy: -55.964261 where: bonds (distance) C4'-P energy: -10.949 bonds (distance) P-C4' energy: -11.782 flat angles C4'-P-C4' energy: -12.197 flat angles P-C4'-P energy: -7.998 tors. eta vs tors. theta energy: -13.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -84.242221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.242221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.242221 (E_RNA) where: Base-Base interactions energy: -41.306 where: short stacking energy: -26.874 Base-Backbone interact. energy: -0.216 local terms energy: -42.720736 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -10.724 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -7.573 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: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -63.777623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.777623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.777623 (E_RNA) where: Base-Base interactions energy: -28.215 where: short stacking energy: -24.071 Base-Backbone interact. energy: -0.310 local terms energy: -35.252563 where: bonds (distance) C4'-P energy: -9.280 bonds (distance) P-C4' energy: -8.616 flat angles C4'-P-C4' energy: -9.783 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -191.130325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.130325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.130325 (E_RNA) where: Base-Base interactions energy: -127.600 where: short stacking energy: -54.386 Base-Backbone interact. energy: -0.041 local terms energy: -63.488768 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -11.840 flat angles P-C4'-P energy: -9.316 tors. eta vs tors. theta energy: -15.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -190.835581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.835581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.835581 (E_RNA) where: Base-Base interactions energy: -129.208 where: short stacking energy: -50.535 Base-Backbone interact. energy: -0.060 local terms energy: -61.567797 where: bonds (distance) C4'-P energy: -11.487 bonds (distance) P-C4' energy: -11.972 flat angles C4'-P-C4' energy: -11.930 flat angles P-C4'-P energy: -8.886 tors. eta vs tors. theta energy: -17.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -180.285569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.285569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.285569 (E_RNA) where: Base-Base interactions energy: -122.654 where: short stacking energy: -56.568 Base-Backbone interact. energy: -0.005 local terms energy: -57.626830 where: bonds (distance) C4'-P energy: -8.984 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -12.715 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -13.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -182.558163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.558163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.558163 (E_RNA) where: Base-Base interactions energy: -121.566 where: short stacking energy: -54.769 Base-Backbone interact. energy: -0.279 local terms energy: -60.713540 where: bonds (distance) C4'-P energy: -13.852 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -13.106 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -16.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -174.394414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.394414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.394414 (E_RNA) where: Base-Base interactions energy: -115.779 where: short stacking energy: -50.210 Base-Backbone interact. energy: -0.577 local terms energy: -58.038365 where: bonds (distance) C4'-P energy: -11.483 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -10.479 flat angles P-C4'-P energy: -8.042 tors. eta vs tors. theta energy: -14.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -169.092189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.092189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.092189 (E_RNA) where: Base-Base interactions energy: -116.406 where: short stacking energy: -46.835 Base-Backbone interact. energy: 0.641 local terms energy: -53.326905 where: bonds (distance) C4'-P energy: -11.648 bonds (distance) P-C4' energy: -11.331 flat angles C4'-P-C4' energy: -10.036 flat angles P-C4'-P energy: -9.508 tors. eta vs tors. theta energy: -10.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -71.368653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.368653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.368653 (E_RNA) where: Base-Base interactions energy: -26.769 where: short stacking energy: -18.330 Base-Backbone interact. energy: -0.277 local terms energy: -44.323560 where: bonds (distance) C4'-P energy: -9.537 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -12.183 flat angles P-C4'-P energy: -7.194 tors. eta vs tors. theta energy: -1.250 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: 5 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -164.759635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.759635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.759635 (E_RNA) where: Base-Base interactions energy: -112.093 where: short stacking energy: -43.872 Base-Backbone interact. energy: 0.876 local terms energy: -53.543006 where: bonds (distance) C4'-P energy: -11.764 bonds (distance) P-C4' energy: -11.242 flat angles C4'-P-C4' energy: -11.963 flat angles P-C4'-P energy: -7.654 tors. eta vs tors. theta energy: -10.920 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: 1 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -59.426673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.426673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.426673 (E_RNA) where: Base-Base interactions energy: -21.147 where: short stacking energy: -14.498 Base-Backbone interact. energy: -0.023 local terms energy: -38.257063 where: bonds (distance) C4'-P energy: -13.110 bonds (distance) P-C4' energy: -10.212 flat angles C4'-P-C4' energy: -10.500 flat angles P-C4'-P energy: -4.956 tors. eta vs tors. theta energy: 0.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -64.700567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.700567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.700567 (E_RNA) where: Base-Base interactions energy: -22.552 where: short stacking energy: -12.970 Base-Backbone interact. energy: -0.599 local terms energy: -41.549441 where: bonds (distance) C4'-P energy: -12.403 bonds (distance) P-C4' energy: -12.340 flat angles C4'-P-C4' energy: -12.871 flat angles P-C4'-P energy: -3.109 tors. eta vs tors. theta energy: -0.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -185.448283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.448283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.448283 (E_RNA) where: Base-Base interactions energy: -122.145 where: short stacking energy: -54.896 Base-Backbone interact. energy: -0.069 local terms energy: -63.234149 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -13.247 flat angles C4'-P-C4' energy: -11.980 flat angles P-C4'-P energy: -9.138 tors. eta vs tors. theta energy: -17.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -185.544588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.544588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.544588 (E_RNA) where: Base-Base interactions energy: -122.133 where: short stacking energy: -53.197 Base-Backbone interact. energy: -0.240 local terms energy: -63.171481 where: bonds (distance) C4'-P energy: -11.727 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -12.588 flat angles P-C4'-P energy: -11.079 tors. eta vs tors. theta energy: -14.327 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: 6 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -182.586674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.586674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.586674 (E_RNA) where: Base-Base interactions energy: -124.969 where: short stacking energy: -49.275 Base-Backbone interact. energy: -0.001 local terms energy: -57.617169 where: bonds (distance) C4'-P energy: -12.486 bonds (distance) P-C4' energy: -11.490 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -7.119 tors. eta vs tors. theta energy: -12.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -175.367552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.367552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.367552 (E_RNA) where: Base-Base interactions energy: -117.933 where: short stacking energy: -48.997 Base-Backbone interact. energy: -0.089 local terms energy: -57.345475 where: bonds (distance) C4'-P energy: -10.426 bonds (distance) P-C4' energy: -13.209 flat angles C4'-P-C4' energy: -13.093 flat angles P-C4'-P energy: -7.725 tors. eta vs tors. theta energy: -12.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -172.640926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.640926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.640926 (E_RNA) where: Base-Base interactions energy: -112.202 where: short stacking energy: -48.311 Base-Backbone interact. energy: 1.140 local terms energy: -61.579193 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -11.641 flat angles C4'-P-C4' energy: -10.262 flat angles P-C4'-P energy: -11.478 tors. eta vs tors. theta energy: -15.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -173.376209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.376209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.376209 (E_RNA) where: Base-Base interactions energy: -123.674 where: short stacking energy: -48.059 Base-Backbone interact. energy: -0.015 local terms energy: -49.686774 where: bonds (distance) C4'-P energy: -11.243 bonds (distance) P-C4' energy: -9.644 flat angles C4'-P-C4' energy: -11.086 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -12.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -172.762333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.762333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.762333 (E_RNA) where: Base-Base interactions energy: -121.504 where: short stacking energy: -45.666 Base-Backbone interact. energy: -0.284 local terms energy: -50.973595 where: bonds (distance) C4'-P energy: -10.745 bonds (distance) P-C4' energy: -9.354 flat angles C4'-P-C4' energy: -13.417 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -12.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -80.019292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.019292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.019292 (E_RNA) where: Base-Base interactions energy: -35.698 where: short stacking energy: -35.464 Base-Backbone interact. energy: -0.055 local terms energy: -44.265371 where: bonds (distance) C4'-P energy: -8.792 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -12.319 flat angles P-C4'-P energy: -6.244 tors. eta vs tors. theta energy: -9.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -66.471787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.471787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.471787 (E_RNA) where: Base-Base interactions energy: -28.632 where: short stacking energy: -27.747 Base-Backbone interact. energy: -0.041 local terms energy: -37.798252 where: bonds (distance) C4'-P energy: -1.722 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -9.829 flat angles P-C4'-P energy: -9.077 tors. eta vs tors. theta energy: -4.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -66.846372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.846372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.846372 (E_RNA) where: Base-Base interactions energy: -20.517 where: short stacking energy: -20.517 Base-Backbone interact. energy: -0.014 local terms energy: -46.314781 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -11.775 flat angles C4'-P-C4' energy: -11.741 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -3.045 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: 9 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -189.800897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.800897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.800897 (E_RNA) where: Base-Base interactions energy: -119.928 where: short stacking energy: -51.049 Base-Backbone interact. energy: -0.017 local terms energy: -69.856629 where: bonds (distance) C4'-P energy: -14.935 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -14.433 flat angles P-C4'-P energy: -10.956 tors. eta vs tors. theta energy: -15.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -185.539156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.539156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.539156 (E_RNA) where: Base-Base interactions energy: -124.438 where: short stacking energy: -49.717 Base-Backbone interact. energy: -0.076 local terms energy: -61.025531 where: bonds (distance) C4'-P energy: -11.747 bonds (distance) P-C4' energy: -13.614 flat angles C4'-P-C4' energy: -14.129 flat angles P-C4'-P energy: -7.908 tors. eta vs tors. theta energy: -13.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -179.187735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.187735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.187735 (E_RNA) where: Base-Base interactions energy: -125.972 where: short stacking energy: -51.508 Base-Backbone interact. energy: -0.127 local terms energy: -53.089453 where: bonds (distance) C4'-P energy: -9.665 bonds (distance) P-C4' energy: -10.935 flat angles C4'-P-C4' energy: -12.293 flat angles P-C4'-P energy: -6.779 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: 4, replica: 8 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -178.957162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.957162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.957162 (E_RNA) where: Base-Base interactions energy: -121.124 where: short stacking energy: -47.139 Base-Backbone interact. energy: -0.017 local terms energy: -57.816306 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -10.162 flat angles C4'-P-C4' energy: -13.289 flat angles P-C4'-P energy: -7.868 tors. eta vs tors. theta energy: -14.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -173.536383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.536383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.536383 (E_RNA) where: Base-Base interactions energy: -117.608 where: short stacking energy: -45.650 Base-Backbone interact. energy: -0.001 local terms energy: -55.927270 where: bonds (distance) C4'-P energy: -11.562 bonds (distance) P-C4' energy: -13.307 flat angles C4'-P-C4' energy: -10.375 flat angles P-C4'-P energy: -7.691 tors. eta vs tors. theta energy: -12.991 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: 2 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -181.074679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.074679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.074679 (E_RNA) where: Base-Base interactions energy: -120.982 where: short stacking energy: -46.097 Base-Backbone interact. energy: -0.088 local terms energy: -60.005285 where: bonds (distance) C4'-P energy: -7.268 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -13.107 flat angles P-C4'-P energy: -7.668 tors. eta vs tors. theta energy: -17.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -161.038957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.038957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.038957 (E_RNA) where: Base-Base interactions energy: -118.411 where: short stacking energy: -49.190 Base-Backbone interact. energy: -0.002 local terms energy: -42.625599 where: bonds (distance) C4'-P energy: -9.015 bonds (distance) P-C4' energy: -11.919 flat angles C4'-P-C4' energy: -9.885 flat angles P-C4'-P energy: -0.981 tors. eta vs tors. theta energy: -10.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -73.574950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.574950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.574950 (E_RNA) where: Base-Base interactions energy: -27.714 where: short stacking energy: -27.714 Base-Backbone interact. energy: -0.022 local terms energy: -45.838967 where: bonds (distance) C4'-P energy: -13.925 bonds (distance) P-C4' energy: -11.684 flat angles C4'-P-C4' energy: -10.061 flat angles P-C4'-P energy: -7.524 tors. eta vs tors. theta energy: -2.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -74.370920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.370920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.370920 (E_RNA) where: Base-Base interactions energy: -27.644 where: short stacking energy: -25.347 Base-Backbone interact. energy: -0.221 local terms energy: -46.506257 where: bonds (distance) C4'-P energy: -8.313 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -11.935 flat angles P-C4'-P energy: -7.621 tors. eta vs tors. theta energy: -4.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -73.219144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.219144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.219144 (E_RNA) where: Base-Base interactions energy: -42.409 where: short stacking energy: -5.582 Base-Backbone interact. energy: -0.140 local terms energy: -30.669861 where: bonds (distance) C4'-P energy: -7.637 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: 2.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -191.999934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.999934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.999934 (E_RNA) where: Base-Base interactions energy: -126.008 where: short stacking energy: -48.566 Base-Backbone interact. energy: -1.211 local terms energy: -64.780589 where: bonds (distance) C4'-P energy: -14.215 bonds (distance) P-C4' energy: -10.396 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -10.027 tors. eta vs tors. theta energy: -17.334 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: 6 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -182.620286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.620286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.620286 (E_RNA) where: Base-Base interactions energy: -124.281 where: short stacking energy: -50.591 Base-Backbone interact. energy: -0.722 local terms energy: -57.617910 where: bonds (distance) C4'-P energy: -10.668 bonds (distance) P-C4' energy: -13.595 flat angles C4'-P-C4' energy: -12.649 flat angles P-C4'-P energy: -5.947 tors. eta vs tors. theta energy: -14.758 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: 8 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -176.896998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.896998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.896998 (E_RNA) where: Base-Base interactions energy: -119.551 where: short stacking energy: -41.067 Base-Backbone interact. energy: -0.017 local terms energy: -57.328809 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -9.270 flat angles P-C4'-P energy: -9.069 tors. eta vs tors. theta energy: -11.534 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: 4 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -174.844975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.844975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.844975 (E_RNA) where: Base-Base interactions energy: -117.548 where: short stacking energy: -47.264 Base-Backbone interact. energy: -1.067 local terms energy: -56.229660 where: bonds (distance) C4'-P energy: -13.043 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -11.001 flat angles P-C4'-P energy: -6.949 tors. eta vs tors. theta energy: -12.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -182.141144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.141144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.141144 (E_RNA) where: Base-Base interactions energy: -121.654 where: short stacking energy: -39.067 Base-Backbone interact. energy: -0.002 local terms energy: -60.485139 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -13.935 flat angles C4'-P-C4' energy: -13.526 flat angles P-C4'-P energy: -7.351 tors. eta vs tors. theta energy: -13.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -178.032558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.032558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.032558 (E_RNA) where: Base-Base interactions energy: -122.151 where: short stacking energy: -51.918 Base-Backbone interact. energy: -0.003 local terms energy: -55.878202 where: bonds (distance) C4'-P energy: -11.856 bonds (distance) P-C4' energy: -11.871 flat angles C4'-P-C4' energy: -10.694 flat angles P-C4'-P energy: -7.758 tors. eta vs tors. theta energy: -13.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -159.891102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.891102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.891102 (E_RNA) where: Base-Base interactions energy: -101.501 where: short stacking energy: -45.279 Base-Backbone interact. energy: -0.206 local terms energy: -58.183686 where: bonds (distance) C4'-P energy: -9.629 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -13.800 flat angles P-C4'-P energy: -8.995 tors. eta vs tors. theta energy: -12.291 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: 8, replica: 10 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -77.574399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.574399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.574399 (E_RNA) where: Base-Base interactions energy: -32.425 where: short stacking energy: -24.888 Base-Backbone interact. energy: -0.240 local terms energy: -44.909298 where: bonds (distance) C4'-P energy: -13.176 bonds (distance) P-C4' energy: -11.307 flat angles C4'-P-C4' energy: -8.890 flat angles P-C4'-P energy: -8.057 tors. eta vs tors. theta energy: -3.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -76.843052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.843052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.843052 (E_RNA) where: Base-Base interactions energy: -33.083 where: short stacking energy: -23.292 Base-Backbone interact. energy: -1.160 local terms energy: -42.600320 where: bonds (distance) C4'-P energy: -11.632 bonds (distance) P-C4' energy: -12.628 flat angles C4'-P-C4' energy: -9.356 flat angles P-C4'-P energy: -7.503 tors. eta vs tors. theta energy: -1.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -65.382376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.382376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.382376 (E_RNA) where: Base-Base interactions energy: -28.560 where: short stacking energy: -20.263 Base-Backbone interact. energy: -0.383 local terms energy: -36.439244 where: bonds (distance) C4'-P energy: -11.197 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -1.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -191.121189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.121189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.121189 (E_RNA) where: Base-Base interactions energy: -130.797 where: short stacking energy: -55.569 Base-Backbone interact. energy: -0.001 local terms energy: -60.322964 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -9.311 flat angles P-C4'-P energy: -10.144 tors. eta vs tors. theta energy: -14.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -184.178849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.178849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.178849 (E_RNA) where: Base-Base interactions energy: -126.764 where: short stacking energy: -49.432 Base-Backbone interact. energy: -0.045 local terms energy: -57.369811 where: bonds (distance) C4'-P energy: -10.399 bonds (distance) P-C4' energy: -11.744 flat angles C4'-P-C4' energy: -12.324 flat angles P-C4'-P energy: -7.649 tors. eta vs tors. theta energy: -15.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -185.339744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.339744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.339744 (E_RNA) where: Base-Base interactions energy: -132.851 where: short stacking energy: -47.469 Base-Backbone interact. energy: -0.330 local terms energy: -52.158388 where: bonds (distance) C4'-P energy: -10.551 bonds (distance) P-C4' energy: -12.569 flat angles C4'-P-C4' energy: -12.045 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -14.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -179.936947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.936947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.936947 (E_RNA) where: Base-Base interactions energy: -122.373 where: short stacking energy: -50.342 Base-Backbone interact. energy: -0.044 local terms energy: -57.520004 where: bonds (distance) C4'-P energy: -11.656 bonds (distance) P-C4' energy: -9.624 flat angles C4'-P-C4' energy: -13.680 flat angles P-C4'-P energy: -8.774 tors. eta vs tors. theta energy: -13.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -172.064129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.064129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.064129 (E_RNA) where: Base-Base interactions energy: -117.098 where: short stacking energy: -43.962 Base-Backbone interact. energy: -0.128 local terms energy: -54.837843 where: bonds (distance) C4'-P energy: -8.357 bonds (distance) P-C4' energy: -14.902 flat angles C4'-P-C4' energy: -12.396 flat angles P-C4'-P energy: -6.412 tors. eta vs tors. theta energy: -12.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -173.355940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.355940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.355940 (E_RNA) where: Base-Base interactions energy: -116.340 where: short stacking energy: -46.073 Base-Backbone interact. energy: -0.674 local terms energy: -56.341930 where: bonds (distance) C4'-P energy: -11.471 bonds (distance) P-C4' energy: -9.380 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -9.655 tors. eta vs tors. theta energy: -13.028 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: 3 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -166.580272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.580272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.580272 (E_RNA) where: Base-Base interactions energy: -113.234 where: short stacking energy: -47.061 Base-Backbone interact. energy: -0.003 local terms energy: -53.343568 where: bonds (distance) C4'-P energy: -11.554 bonds (distance) P-C4' energy: -8.275 flat angles C4'-P-C4' energy: -11.070 flat angles P-C4'-P energy: -8.272 tors. eta vs tors. theta energy: -14.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -69.931884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.931884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.931884 (E_RNA) where: Base-Base interactions energy: -30.207 where: short stacking energy: -21.648 Base-Backbone interact. energy: 0.874 local terms energy: -40.599326 where: bonds (distance) C4'-P energy: -9.998 bonds (distance) P-C4' energy: -12.290 flat angles C4'-P-C4' energy: -9.924 flat angles P-C4'-P energy: -6.055 tors. eta vs tors. theta energy: -2.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -76.480843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.480843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.480843 (E_RNA) where: Base-Base interactions energy: -42.854 where: short stacking energy: -12.232 Base-Backbone interact. energy: -0.059 local terms energy: -33.568121 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -6.532 flat angles C4'-P-C4' energy: -12.318 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: 4.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -63.461812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.461812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.461812 (E_RNA) where: Base-Base interactions energy: -30.080 where: short stacking energy: -22.266 Base-Backbone interact. energy: -0.135 local terms energy: -33.247563 where: bonds (distance) C4'-P energy: -11.595 bonds (distance) P-C4' energy: -10.585 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -6.444 tors. eta vs tors. theta energy: 2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -190.361712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.361712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.361712 (E_RNA) where: Base-Base interactions energy: -127.934 where: short stacking energy: -48.220 Base-Backbone interact. energy: -0.527 local terms energy: -61.900541 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -10.513 flat angles C4'-P-C4' energy: -12.739 flat angles P-C4'-P energy: -7.441 tors. eta vs tors. theta energy: -16.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -188.889590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.889590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.889590 (E_RNA) where: Base-Base interactions energy: -127.003 where: short stacking energy: -51.449 Base-Backbone interact. energy: -0.023 local terms energy: -61.863555 where: bonds (distance) C4'-P energy: -12.004 bonds (distance) P-C4' energy: -14.282 flat angles C4'-P-C4' energy: -12.723 flat angles P-C4'-P energy: -6.812 tors. eta vs tors. theta energy: -16.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -180.931871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.931871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.931871 (E_RNA) where: Base-Base interactions energy: -123.357 where: short stacking energy: -51.911 Base-Backbone interact. energy: -0.093 local terms energy: -57.482004 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -14.284 flat angles C4'-P-C4' energy: -11.168 flat angles P-C4'-P energy: -2.891 tors. eta vs tors. theta energy: -16.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -175.842422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.842422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.842422 (E_RNA) where: Base-Base interactions energy: -120.249 where: short stacking energy: -45.164 Base-Backbone interact. energy: -0.042 local terms energy: -55.550950 where: bonds (distance) C4'-P energy: -11.447 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -12.564 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: -10.813 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: 282 Temperature: 1.100000 Total energy: -178.423889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.423889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.423889 (E_RNA) where: Base-Base interactions energy: -123.433 where: short stacking energy: -52.188 Base-Backbone interact. energy: -0.002 local terms energy: -54.989583 where: bonds (distance) C4'-P energy: -8.970 bonds (distance) P-C4' energy: -11.353 flat angles C4'-P-C4' energy: -11.627 flat angles P-C4'-P energy: -6.464 tors. eta vs tors. theta energy: -16.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -171.096965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.096965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.096965 (E_RNA) where: Base-Base interactions energy: -114.331 where: short stacking energy: -43.963 Base-Backbone interact. energy: -0.858 local terms energy: -55.908194 where: bonds (distance) C4'-P energy: -10.957 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -12.225 flat angles P-C4'-P energy: -6.414 tors. eta vs tors. theta energy: -14.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -170.117833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.117833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.117833 (E_RNA) where: Base-Base interactions energy: -114.551 where: short stacking energy: -38.166 Base-Backbone interact. energy: -0.087 local terms energy: -55.479345 where: bonds (distance) C4'-P energy: -13.085 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -10.713 flat angles P-C4'-P energy: -6.659 tors. eta vs tors. theta energy: -11.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -74.152435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.152435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.152435 (E_RNA) where: Base-Base interactions energy: -27.834 where: short stacking energy: -27.834 Base-Backbone interact. energy: -0.136 local terms energy: -46.181753 where: bonds (distance) C4'-P energy: -11.739 bonds (distance) P-C4' energy: -12.152 flat angles C4'-P-C4' energy: -9.381 flat angles P-C4'-P energy: -6.416 tors. eta vs tors. theta energy: -6.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -69.850647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.850647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.850647 (E_RNA) where: Base-Base interactions energy: -28.066 where: short stacking energy: -16.633 Base-Backbone interact. energy: -0.417 local terms energy: -41.367795 where: bonds (distance) C4'-P energy: -12.726 bonds (distance) P-C4' energy: -11.042 flat angles C4'-P-C4' energy: -11.708 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -57.204331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.204331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.204331 (E_RNA) where: Base-Base interactions energy: -20.406 where: short stacking energy: -20.059 Base-Backbone interact. energy: -0.173 local terms energy: -36.624752 where: bonds (distance) C4'-P energy: -9.777 bonds (distance) P-C4' energy: -7.441 flat angles C4'-P-C4' energy: -11.908 flat angles P-C4'-P energy: -8.948 tors. eta vs tors. theta energy: 1.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -189.103717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.103717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.103717 (E_RNA) where: Base-Base interactions energy: -125.555 where: short stacking energy: -50.192 Base-Backbone interact. energy: -0.001 local terms energy: -63.547110 where: bonds (distance) C4'-P energy: -13.582 bonds (distance) P-C4' energy: -11.678 flat angles C4'-P-C4' energy: -13.603 flat angles P-C4'-P energy: -7.428 tors. eta vs tors. theta energy: -17.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -181.122496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.122496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.122496 (E_RNA) where: Base-Base interactions energy: -124.078 where: short stacking energy: -51.478 Base-Backbone interact. energy: -0.074 local terms energy: -56.970595 where: bonds (distance) C4'-P energy: -12.025 bonds (distance) P-C4' energy: -14.668 flat angles C4'-P-C4' energy: -12.564 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -13.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -179.767418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.767418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.767418 (E_RNA) where: Base-Base interactions energy: -122.662 where: short stacking energy: -52.974 Base-Backbone interact. energy: -0.002 local terms energy: -57.103304 where: bonds (distance) C4'-P energy: -12.066 bonds (distance) P-C4' energy: -10.890 flat angles C4'-P-C4' energy: -12.250 flat angles P-C4'-P energy: -7.219 tors. eta vs tors. theta energy: -14.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -182.723913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.723913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.723913 (E_RNA) where: Base-Base interactions energy: -125.187 where: short stacking energy: -52.628 Base-Backbone interact. energy: -0.081 local terms energy: -57.455636 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -10.917 flat angles C4'-P-C4' energy: -14.646 flat angles P-C4'-P energy: -8.732 tors. eta vs tors. theta energy: -15.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -180.874686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.874686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.874686 (E_RNA) where: Base-Base interactions energy: -125.465 where: short stacking energy: -44.833 Base-Backbone interact. energy: -0.012 local terms energy: -55.398024 where: bonds (distance) C4'-P energy: -11.372 bonds (distance) P-C4' energy: -11.788 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -7.204 tors. eta vs tors. theta energy: -12.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -184.820879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.820879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.820879 (E_RNA) where: Base-Base interactions energy: -131.777 where: short stacking energy: -55.727 Base-Backbone interact. energy: -0.314 local terms energy: -52.730450 where: bonds (distance) C4'-P energy: -6.499 bonds (distance) P-C4' energy: -10.123 flat angles C4'-P-C4' energy: -13.043 flat angles P-C4'-P energy: -8.697 tors. eta vs tors. theta energy: -14.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -148.391227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.391227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.391227 (E_RNA) where: Base-Base interactions energy: -96.150 where: short stacking energy: -35.794 Base-Backbone interact. energy: -0.119 local terms energy: -52.122505 where: bonds (distance) C4'-P energy: -12.800 bonds (distance) P-C4' energy: -11.164 flat angles C4'-P-C4' energy: -11.290 flat angles P-C4'-P energy: -9.266 tors. eta vs tors. theta energy: -7.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -86.293331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.293331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.293331 (E_RNA) where: Base-Base interactions energy: -39.355 where: short stacking energy: -19.489 Base-Backbone interact. energy: -0.578 local terms energy: -46.360781 where: bonds (distance) C4'-P energy: -11.822 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -11.910 flat angles P-C4'-P energy: -4.879 tors. eta vs tors. theta energy: -4.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -65.207084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.207084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.207084 (E_RNA) where: Base-Base interactions energy: -19.869 where: short stacking energy: -19.869 Base-Backbone interact. energy: -0.050 local terms energy: -45.288384 where: bonds (distance) C4'-P energy: -12.163 bonds (distance) P-C4' energy: -14.036 flat angles C4'-P-C4' energy: -6.570 flat angles P-C4'-P energy: -8.318 tors. eta vs tors. theta energy: -4.201 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: 283 Temperature: 1.350000 Total energy: -72.751420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.751420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.751420 (E_RNA) where: Base-Base interactions energy: -31.404 where: short stacking energy: -31.371 Base-Backbone interact. energy: -0.749 local terms energy: -40.599135 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -10.363 flat angles C4'-P-C4' energy: -12.707 flat angles P-C4'-P energy: -2.579 tors. eta vs tors. theta energy: -9.164 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: 9 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -188.164008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.164008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.164008 (E_RNA) where: Base-Base interactions energy: -127.866 where: short stacking energy: -48.088 Base-Backbone interact. energy: -0.020 local terms energy: -60.277554 where: bonds (distance) C4'-P energy: -9.732 bonds (distance) P-C4' energy: -13.137 flat angles C4'-P-C4' energy: -12.241 flat angles P-C4'-P energy: -10.378 tors. eta vs tors. theta energy: -14.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -183.736196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.736196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.736196 (E_RNA) where: Base-Base interactions energy: -124.447 where: short stacking energy: -49.308 Base-Backbone interact. energy: -0.189 local terms energy: -59.100171 where: bonds (distance) C4'-P energy: -11.251 bonds (distance) P-C4' energy: -12.889 flat angles C4'-P-C4' energy: -11.306 flat angles P-C4'-P energy: -10.257 tors. eta vs tors. theta energy: -13.398 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: 4 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -188.113905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.113905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.113905 (E_RNA) where: Base-Base interactions energy: -122.526 where: short stacking energy: -51.115 Base-Backbone interact. energy: -0.219 local terms energy: -65.368790 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -14.069 flat angles C4'-P-C4' energy: -13.183 flat angles P-C4'-P energy: -7.701 tors. eta vs tors. theta energy: -17.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -179.630118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.630118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.630118 (E_RNA) where: Base-Base interactions energy: -123.862 where: short stacking energy: -45.884 Base-Backbone interact. energy: -1.144 local terms energy: -54.623980 where: bonds (distance) C4'-P energy: -11.080 bonds (distance) P-C4' energy: -10.567 flat angles C4'-P-C4' energy: -13.874 flat angles P-C4'-P energy: -5.255 tors. eta vs tors. theta energy: -13.848 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: 3 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -182.451252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.451252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.451252 (E_RNA) where: Base-Base interactions energy: -124.599 where: short stacking energy: -45.285 Base-Backbone interact. energy: -1.106 local terms energy: -56.745349 where: bonds (distance) C4'-P energy: -8.254 bonds (distance) P-C4' energy: -13.720 flat angles C4'-P-C4' energy: -13.528 flat angles P-C4'-P energy: -9.044 tors. eta vs tors. theta energy: -12.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -184.933450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.933450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.933450 (E_RNA) where: Base-Base interactions energy: -125.541 where: short stacking energy: -52.796 Base-Backbone interact. energy: -0.120 local terms energy: -59.272185 where: bonds (distance) C4'-P energy: -10.709 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -12.292 flat angles P-C4'-P energy: -7.214 tors. eta vs tors. theta energy: -15.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -168.407063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.407063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.407063 (E_RNA) where: Base-Base interactions energy: -113.985 where: short stacking energy: -54.883 Base-Backbone interact. energy: -0.194 local terms energy: -54.227628 where: bonds (distance) C4'-P energy: -10.631 bonds (distance) P-C4' energy: -9.641 flat angles C4'-P-C4' energy: -14.980 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -14.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -64.407386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.407386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.407386 (E_RNA) where: Base-Base interactions energy: -17.393 where: short stacking energy: -17.393 Base-Backbone interact. energy: -0.110 local terms energy: -46.904442 where: bonds (distance) C4'-P energy: -11.322 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -8.383 flat angles P-C4'-P energy: -8.438 tors. eta vs tors. theta energy: -4.130 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: 284 Temperature: 1.300000 Total energy: -62.164741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.164741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.164741 (E_RNA) where: Base-Base interactions energy: -29.450 where: short stacking energy: -25.657 Base-Backbone interact. energy: 1.713 local terms energy: -34.428215 where: bonds (distance) C4'-P energy: -4.396 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -9.431 flat angles P-C4'-P energy: -6.066 tors. eta vs tors. theta energy: -2.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -63.882047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.882047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.882047 (E_RNA) where: Base-Base interactions energy: -26.344 where: short stacking energy: -20.102 Base-Backbone interact. energy: -0.646 local terms energy: -36.892444 where: bonds (distance) C4'-P energy: -11.868 bonds (distance) P-C4' energy: -9.734 flat angles C4'-P-C4' energy: -7.316 flat angles P-C4'-P energy: -7.474 tors. eta vs tors. theta energy: -0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -192.173637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.173637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.173637 (E_RNA) where: Base-Base interactions energy: -124.247 where: short stacking energy: -52.376 Base-Backbone interact. energy: -0.289 local terms energy: -67.638040 where: bonds (distance) C4'-P energy: -11.488 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -15.127 flat angles P-C4'-P energy: -12.031 tors. eta vs tors. theta energy: -14.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -189.098962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.098962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.098962 (E_RNA) where: Base-Base interactions energy: -123.579 where: short stacking energy: -52.249 Base-Backbone interact. energy: -0.686 local terms energy: -64.834690 where: bonds (distance) C4'-P energy: -9.268 bonds (distance) P-C4' energy: -15.347 flat angles C4'-P-C4' energy: -14.583 flat angles P-C4'-P energy: -9.891 tors. eta vs tors. theta energy: -15.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -175.321575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.321575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.321575 (E_RNA) where: Base-Base interactions energy: -117.972 where: short stacking energy: -44.584 Base-Backbone interact. energy: -0.086 local terms energy: -57.263783 where: bonds (distance) C4'-P energy: -10.142 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -12.997 flat angles P-C4'-P energy: -7.817 tors. eta vs tors. theta energy: -12.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -178.910499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.910499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.910499 (E_RNA) where: Base-Base interactions energy: -118.017 where: short stacking energy: -49.734 Base-Backbone interact. energy: -0.001 local terms energy: -60.892119 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -13.147 flat angles C4'-P-C4' energy: -11.771 flat angles P-C4'-P energy: -6.683 tors. eta vs tors. theta energy: -16.007 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: 2 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -175.605524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.605524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.605524 (E_RNA) where: Base-Base interactions energy: -121.741 where: short stacking energy: -51.001 Base-Backbone interact. energy: 0.745 local terms energy: -54.610139 where: bonds (distance) C4'-P energy: -10.381 bonds (distance) P-C4' energy: -7.415 flat angles C4'-P-C4' energy: -13.881 flat angles P-C4'-P energy: -8.371 tors. eta vs tors. theta energy: -14.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -177.623487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.623487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.623487 (E_RNA) where: Base-Base interactions energy: -122.957 where: short stacking energy: -39.193 Base-Backbone interact. energy: -0.081 local terms energy: -54.585442 where: bonds (distance) C4'-P energy: -13.987 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -10.993 flat angles P-C4'-P energy: -7.735 tors. eta vs tors. theta energy: -9.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -167.267696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.267696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.267696 (E_RNA) where: Base-Base interactions energy: -107.222 where: short stacking energy: -40.370 Base-Backbone interact. energy: -0.024 local terms energy: -60.021753 where: bonds (distance) C4'-P energy: -12.066 bonds (distance) P-C4' energy: -12.232 flat angles C4'-P-C4' energy: -14.817 flat angles P-C4'-P energy: -7.737 tors. eta vs tors. theta energy: -13.170 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: 8, replica: 7 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -64.307287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.307287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.307287 (E_RNA) where: Base-Base interactions energy: -20.822 where: short stacking energy: -20.400 Base-Backbone interact. energy: -0.134 local terms energy: -43.351904 where: bonds (distance) C4'-P energy: -12.788 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -10.856 flat angles P-C4'-P energy: -6.743 tors. eta vs tors. theta energy: 1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -66.132923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.132923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.132923 (E_RNA) where: Base-Base interactions energy: -23.852 where: short stacking energy: -21.938 Base-Backbone interact. energy: 1.443 local terms energy: -43.723047 where: bonds (distance) C4'-P energy: -12.331 bonds (distance) P-C4' energy: -11.405 flat angles C4'-P-C4' energy: -11.180 flat angles P-C4'-P energy: -9.262 tors. eta vs tors. theta energy: 0.455 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: 10 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -65.773040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.773040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.773040 (E_RNA) where: Base-Base interactions energy: -26.033 where: short stacking energy: -16.130 Base-Backbone interact. energy: 1.010 local terms energy: -40.750821 where: bonds (distance) C4'-P energy: -12.374 bonds (distance) P-C4' energy: -13.118 flat angles C4'-P-C4' energy: -9.042 flat angles P-C4'-P energy: -8.026 tors. eta vs tors. theta energy: 1.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -191.625525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.625525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.625525 (E_RNA) where: Base-Base interactions energy: -127.796 where: short stacking energy: -57.199 Base-Backbone interact. energy: 0.465 local terms energy: -64.293928 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -13.118 flat angles C4'-P-C4' energy: -14.267 flat angles P-C4'-P energy: -8.787 tors. eta vs tors. theta energy: -14.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -188.513589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.513589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.513589 (E_RNA) where: Base-Base interactions energy: -122.027 where: short stacking energy: -50.683 Base-Backbone interact. energy: -0.282 local terms energy: -66.204555 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -13.180 flat angles P-C4'-P energy: -9.901 tors. eta vs tors. theta energy: -15.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -179.197423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.197423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.197423 (E_RNA) where: Base-Base interactions energy: -118.214 where: short stacking energy: -45.645 Base-Backbone interact. energy: -1.058 local terms energy: -59.925048 where: bonds (distance) C4'-P energy: -13.947 bonds (distance) P-C4' energy: -11.890 flat angles C4'-P-C4' energy: -12.751 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -15.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -176.273340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.273340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.273340 (E_RNA) where: Base-Base interactions energy: -116.646 where: short stacking energy: -43.817 Base-Backbone interact. energy: -0.028 local terms energy: -59.598958 where: bonds (distance) C4'-P energy: -11.400 bonds (distance) P-C4' energy: -12.749 flat angles C4'-P-C4' energy: -13.767 flat angles P-C4'-P energy: -7.804 tors. eta vs tors. theta energy: -13.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -172.021028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.021028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.021028 (E_RNA) where: Base-Base interactions energy: -115.728 where: short stacking energy: -48.424 Base-Backbone interact. energy: -0.341 local terms energy: -55.952628 where: bonds (distance) C4'-P energy: -7.708 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -14.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -175.827120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.827120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.827120 (E_RNA) where: Base-Base interactions energy: -116.015 where: short stacking energy: -42.546 Base-Backbone interact. energy: -0.105 local terms energy: -59.707909 where: bonds (distance) C4'-P energy: -10.071 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -13.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -171.783218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.783218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.783218 (E_RNA) where: Base-Base interactions energy: -121.026 where: short stacking energy: -45.543 Base-Backbone interact. energy: -0.097 local terms energy: -50.659378 where: bonds (distance) C4'-P energy: -8.072 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -13.148 flat angles P-C4'-P energy: -7.348 tors. eta vs tors. theta energy: -15.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -87.517016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.517016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.517016 (E_RNA) where: Base-Base interactions energy: -40.595 where: short stacking energy: -34.460 Base-Backbone interact. energy: -0.127 local terms energy: -46.794344 where: bonds (distance) C4'-P energy: -11.039 bonds (distance) P-C4' energy: -9.712 flat angles C4'-P-C4' energy: -10.314 flat angles P-C4'-P energy: -7.680 tors. eta vs tors. theta energy: -8.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -61.947837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.947837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.947837 (E_RNA) where: Base-Base interactions energy: -19.311 where: short stacking energy: -17.486 Base-Backbone interact. energy: -0.089 local terms energy: -42.547998 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -7.897 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -10.850 tors. eta vs tors. theta energy: -5.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -58.971281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.971281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.971281 (E_RNA) where: Base-Base interactions energy: -23.140 where: short stacking energy: -11.619 Base-Backbone interact. energy: -0.158 local terms energy: -35.673505 where: bonds (distance) C4'-P energy: -8.579 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -10.553 flat angles P-C4'-P energy: -4.936 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: 4 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -194.949638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.949638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.949638 (E_RNA) where: Base-Base interactions energy: -129.106 where: short stacking energy: -51.878 Base-Backbone interact. energy: -0.039 local terms energy: -65.803822 where: bonds (distance) C4'-P energy: -12.138 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -14.205 flat angles P-C4'-P energy: -8.733 tors. eta vs tors. theta energy: -15.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -182.581070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.581070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.581070 (E_RNA) where: Base-Base interactions energy: -122.659 where: short stacking energy: -50.441 Base-Backbone interact. energy: -0.096 local terms energy: -59.825674 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -13.146 flat angles C4'-P-C4' energy: -9.799 flat angles P-C4'-P energy: -8.206 tors. eta vs tors. theta energy: -16.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -180.474711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.474711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.474711 (E_RNA) where: Base-Base interactions energy: -120.272 where: short stacking energy: -42.574 Base-Backbone interact. energy: -0.004 local terms energy: -60.198864 where: bonds (distance) C4'-P energy: -13.202 bonds (distance) P-C4' energy: -11.414 flat angles C4'-P-C4' energy: -14.767 flat angles P-C4'-P energy: -9.128 tors. eta vs tors. theta energy: -11.687 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: 5 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -180.023127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.023127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.023127 (E_RNA) where: Base-Base interactions energy: -125.235 where: short stacking energy: -48.393 Base-Backbone interact. energy: 0.225 local terms energy: -55.013186 where: bonds (distance) C4'-P energy: -13.185 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -11.505 flat angles P-C4'-P energy: -8.599 tors. eta vs tors. theta energy: -14.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -169.325958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.325958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.325958 (E_RNA) where: Base-Base interactions energy: -117.423 where: short stacking energy: -43.791 Base-Backbone interact. energy: -0.185 local terms energy: -51.717775 where: bonds (distance) C4'-P energy: -11.280 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -10.526 flat angles P-C4'-P energy: -6.849 tors. eta vs tors. theta energy: -9.799 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: 6, replica: 8 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -175.782554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.782554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.782554 (E_RNA) where: Base-Base interactions energy: -112.085 where: short stacking energy: -44.872 Base-Backbone interact. energy: -0.138 local terms energy: -63.559672 where: bonds (distance) C4'-P energy: -12.486 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -13.846 flat angles P-C4'-P energy: -6.706 tors. eta vs tors. theta energy: -15.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -169.915584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.915584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.915584 (E_RNA) where: Base-Base interactions energy: -115.041 where: short stacking energy: -44.452 Base-Backbone interact. energy: -0.015 local terms energy: -54.858956 where: bonds (distance) C4'-P energy: -10.626 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -10.295 tors. eta vs tors. theta energy: -12.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -82.499215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.499215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.499215 (E_RNA) where: Base-Base interactions energy: -35.204 where: short stacking energy: -21.677 Base-Backbone interact. energy: -0.077 local terms energy: -47.218538 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -10.715 flat angles P-C4'-P energy: -9.511 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -77.173553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.173553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.173553 (E_RNA) where: Base-Base interactions energy: -39.334 where: short stacking energy: -20.204 Base-Backbone interact. energy: -0.436 local terms energy: -37.403876 where: bonds (distance) C4'-P energy: -9.434 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -10.143 flat angles P-C4'-P energy: -8.262 tors. eta vs tors. theta energy: -3.097 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: 1 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -71.071170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.071170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.071170 (E_RNA) where: Base-Base interactions energy: -25.749 where: short stacking energy: -25.749 Base-Backbone interact. energy: -0.108 local terms energy: -45.213618 where: bonds (distance) C4'-P energy: -11.235 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -9.935 flat angles P-C4'-P energy: -6.957 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -189.162465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.162465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.162465 (E_RNA) where: Base-Base interactions energy: -123.040 where: short stacking energy: -49.467 Base-Backbone interact. energy: -0.082 local terms energy: -66.040483 where: bonds (distance) C4'-P energy: -13.950 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -15.243 flat angles P-C4'-P energy: -9.338 tors. eta vs tors. theta energy: -14.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -186.096853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.096853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.096853 (E_RNA) where: Base-Base interactions energy: -127.167 where: short stacking energy: -49.290 Base-Backbone interact. energy: -0.000 local terms energy: -58.929989 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -10.024 flat angles P-C4'-P energy: -8.058 tors. eta vs tors. theta energy: -13.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -189.866836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.866836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.866836 (E_RNA) where: Base-Base interactions energy: -129.265 where: short stacking energy: -49.352 Base-Backbone interact. energy: -0.044 local terms energy: -60.557992 where: bonds (distance) C4'-P energy: -14.824 bonds (distance) P-C4' energy: -11.794 flat angles C4'-P-C4' energy: -14.840 flat angles P-C4'-P energy: -6.222 tors. eta vs tors. theta energy: -12.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -180.640139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.640139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.640139 (E_RNA) where: Base-Base interactions energy: -124.981 where: short stacking energy: -49.856 Base-Backbone interact. energy: -0.000 local terms energy: -55.659255 where: bonds (distance) C4'-P energy: -12.104 bonds (distance) P-C4' energy: -12.063 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -14.784 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: 6 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -172.766415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.766415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.766415 (E_RNA) where: Base-Base interactions energy: -118.706 where: short stacking energy: -49.992 Base-Backbone interact. energy: -0.067 local terms energy: -53.993774 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -13.956 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -8.430 tors. eta vs tors. theta energy: -11.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -167.651019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.651019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.651019 (E_RNA) where: Base-Base interactions energy: -107.836 where: short stacking energy: -44.850 Base-Backbone interact. energy: -0.409 local terms energy: -59.406545 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -11.634 flat angles P-C4'-P energy: -7.491 tors. eta vs tors. theta energy: -13.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -170.570653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.570653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.570653 (E_RNA) where: Base-Base interactions energy: -120.118 where: short stacking energy: -51.329 Base-Backbone interact. energy: -0.481 local terms energy: -49.972200 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -10.326 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -17.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -76.191448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.191448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.191448 (E_RNA) where: Base-Base interactions energy: -24.947 where: short stacking energy: -24.947 Base-Backbone interact. energy: -0.262 local terms energy: -50.982025 where: bonds (distance) C4'-P energy: -11.354 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -10.087 flat angles P-C4'-P energy: -6.982 tors. eta vs tors. theta energy: -7.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -92.597539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.597539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.597539 (E_RNA) where: Base-Base interactions energy: -52.229 where: short stacking energy: -35.094 Base-Backbone interact. energy: -0.014 local terms energy: -40.354855 where: bonds (distance) C4'-P energy: -6.999 bonds (distance) P-C4' energy: -9.461 flat angles C4'-P-C4' energy: -10.880 flat angles P-C4'-P energy: -6.133 tors. eta vs tors. theta energy: -6.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -70.551849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.551849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.551849 (E_RNA) where: Base-Base interactions energy: -31.530 where: short stacking energy: -25.580 Base-Backbone interact. energy: -0.134 local terms energy: -38.887099 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -9.950 flat angles C4'-P-C4' energy: -10.439 flat angles P-C4'-P energy: -4.453 tors. eta vs tors. theta energy: -0.042 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: 3 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -189.049376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.049376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.049376 (E_RNA) where: Base-Base interactions energy: -131.577 where: short stacking energy: -48.351 Base-Backbone interact. energy: -1.160 local terms energy: -56.312345 where: bonds (distance) C4'-P energy: -9.483 bonds (distance) P-C4' energy: -13.371 flat angles C4'-P-C4' energy: -10.826 flat angles P-C4'-P energy: -8.879 tors. eta vs tors. theta energy: -13.754 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: 5 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -184.820112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.820112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.820112 (E_RNA) where: Base-Base interactions energy: -128.008 where: short stacking energy: -53.219 Base-Backbone interact. energy: -0.070 local terms energy: -56.742112 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -10.648 flat angles C4'-P-C4' energy: -11.256 flat angles P-C4'-P energy: -5.740 tors. eta vs tors. theta energy: -16.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -179.166287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.166287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.166287 (E_RNA) where: Base-Base interactions energy: -125.727 where: short stacking energy: -42.675 Base-Backbone interact. energy: -0.646 local terms energy: -52.793516 where: bonds (distance) C4'-P energy: -10.505 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -12.357 flat angles P-C4'-P energy: -2.220 tors. eta vs tors. theta energy: -14.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -178.648352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.648352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.648352 (E_RNA) where: Base-Base interactions energy: -120.448 where: short stacking energy: -47.909 Base-Backbone interact. energy: -0.001 local terms energy: -58.199564 where: bonds (distance) C4'-P energy: -11.524 bonds (distance) P-C4' energy: -12.203 flat angles C4'-P-C4' energy: -12.391 flat angles P-C4'-P energy: -8.100 tors. eta vs tors. theta energy: -13.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -185.378704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.378704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.378704 (E_RNA) where: Base-Base interactions energy: -120.581 where: short stacking energy: -48.892 Base-Backbone interact. energy: -0.199 local terms energy: -64.598154 where: bonds (distance) C4'-P energy: -13.666 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -9.337 tors. eta vs tors. theta energy: -13.420 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: 2 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -175.925163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.925163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.925163 (E_RNA) where: Base-Base interactions energy: -117.667 where: short stacking energy: -44.478 Base-Backbone interact. energy: 0.569 local terms energy: -58.827924 where: bonds (distance) C4'-P energy: -13.023 bonds (distance) P-C4' energy: -11.797 flat angles C4'-P-C4' energy: -14.457 flat angles P-C4'-P energy: -8.093 tors. eta vs tors. theta energy: -11.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -161.971435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.971435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.971435 (E_RNA) where: Base-Base interactions energy: -106.328 where: short stacking energy: -46.231 Base-Backbone interact. energy: 0.882 local terms energy: -56.525201 where: bonds (distance) C4'-P energy: -11.239 bonds (distance) P-C4' energy: -9.855 flat angles C4'-P-C4' energy: -14.054 flat angles P-C4'-P energy: -10.268 tors. eta vs tors. theta energy: -11.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -86.443307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.443307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.443307 (E_RNA) where: Base-Base interactions energy: -36.598 where: short stacking energy: -14.573 Base-Backbone interact. energy: 0.017 local terms energy: -49.861747 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -14.132 flat angles C4'-P-C4' energy: -13.071 flat angles P-C4'-P energy: -7.899 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -64.403734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.403734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.403734 (E_RNA) where: Base-Base interactions energy: -27.117 where: short stacking energy: -27.117 Base-Backbone interact. energy: -0.050 local terms energy: -37.236689 where: bonds (distance) C4'-P energy: -7.794 bonds (distance) P-C4' energy: -13.606 flat angles C4'-P-C4' energy: -12.213 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: 0.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -64.684003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.684003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.684003 (E_RNA) where: Base-Base interactions energy: -29.542 where: short stacking energy: -18.143 Base-Backbone interact. energy: -0.017 local terms energy: -35.124644 where: bonds (distance) C4'-P energy: -9.501 bonds (distance) P-C4' energy: -8.869 flat angles C4'-P-C4' energy: -9.257 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -187.295935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.295935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.295935 (E_RNA) where: Base-Base interactions energy: -131.795 where: short stacking energy: -54.495 Base-Backbone interact. energy: -0.086 local terms energy: -55.414434 where: bonds (distance) C4'-P energy: -11.980 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -12.714 flat angles P-C4'-P energy: -0.636 tors. eta vs tors. theta energy: -14.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -194.367936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.367936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.367936 (E_RNA) where: Base-Base interactions energy: -132.697 where: short stacking energy: -49.919 Base-Backbone interact. energy: -0.076 local terms energy: -61.594654 where: bonds (distance) C4'-P energy: -10.514 bonds (distance) P-C4' energy: -12.889 flat angles C4'-P-C4' energy: -13.581 flat angles P-C4'-P energy: -8.853 tors. eta vs tors. theta energy: -15.757 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: 4 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -186.643511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.643511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.643511 (E_RNA) where: Base-Base interactions energy: -128.840 where: short stacking energy: -51.344 Base-Backbone interact. energy: -0.001 local terms energy: -57.802683 where: bonds (distance) C4'-P energy: -12.352 bonds (distance) P-C4' energy: -10.126 flat angles C4'-P-C4' energy: -11.874 flat angles P-C4'-P energy: -9.675 tors. eta vs tors. theta energy: -13.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -177.155003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.155003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.155003 (E_RNA) where: Base-Base interactions energy: -117.541 where: short stacking energy: -50.980 Base-Backbone interact. energy: -0.607 local terms energy: -59.006525 where: bonds (distance) C4'-P energy: -10.826 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -13.310 flat angles P-C4'-P energy: -6.981 tors. eta vs tors. theta energy: -13.964 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: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -180.631100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.631100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.631100 (E_RNA) where: Base-Base interactions energy: -127.740 where: short stacking energy: -47.228 Base-Backbone interact. energy: -0.080 local terms energy: -52.811250 where: bonds (distance) C4'-P energy: -11.455 bonds (distance) P-C4' energy: -10.743 flat angles C4'-P-C4' energy: -12.911 flat angles P-C4'-P energy: -2.374 tors. eta vs tors. theta energy: -15.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -171.243569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.243569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.243569 (E_RNA) where: Base-Base interactions energy: -119.213 where: short stacking energy: -49.212 Base-Backbone interact. energy: -0.575 local terms energy: -51.455667 where: bonds (distance) C4'-P energy: -10.878 bonds (distance) P-C4' energy: -6.717 flat angles C4'-P-C4' energy: -11.417 flat angles P-C4'-P energy: -6.185 tors. eta vs tors. theta energy: -16.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -172.031294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.031294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.031294 (E_RNA) where: Base-Base interactions energy: -119.150 where: short stacking energy: -47.726 Base-Backbone interact. energy: 0.876 local terms energy: -53.757620 where: bonds (distance) C4'-P energy: -11.181 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -10.494 flat angles P-C4'-P energy: -7.029 tors. eta vs tors. theta energy: -11.709 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: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -74.575709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.575709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.575709 (E_RNA) where: Base-Base interactions energy: -36.159 where: short stacking energy: -36.039 Base-Backbone interact. energy: -0.051 local terms energy: -38.365972 where: bonds (distance) C4'-P energy: -11.259 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -4.459 tors. eta vs tors. theta energy: -2.426 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: 7 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -77.937398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.937398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.937398 (E_RNA) where: Base-Base interactions energy: -41.489 where: short stacking energy: -24.843 Base-Backbone interact. energy: 2.036 local terms energy: -38.483864 where: bonds (distance) C4'-P energy: -10.176 bonds (distance) P-C4' energy: -11.500 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -8.444 tors. eta vs tors. theta energy: -3.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -67.073133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.073133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.073133 (E_RNA) where: Base-Base interactions energy: -25.402 where: short stacking energy: -25.402 Base-Backbone interact. energy: -0.018 local terms energy: -41.653352 where: bonds (distance) C4'-P energy: -10.750 bonds (distance) P-C4' energy: -13.095 flat angles C4'-P-C4' energy: -11.055 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -3.809 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: 5 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -192.995052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.995052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.995052 (E_RNA) where: Base-Base interactions energy: -129.775 where: short stacking energy: -54.937 Base-Backbone interact. energy: -0.044 local terms energy: -63.175462 where: bonds (distance) C4'-P energy: -14.128 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -14.418 flat angles P-C4'-P energy: -7.457 tors. eta vs tors. theta energy: -16.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -189.498205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.498205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.498205 (E_RNA) where: Base-Base interactions energy: -126.600 where: short stacking energy: -52.806 Base-Backbone interact. energy: 0.405 local terms energy: -63.303709 where: bonds (distance) C4'-P energy: -12.937 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -10.473 flat angles P-C4'-P energy: -11.129 tors. eta vs tors. theta energy: -16.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -187.883524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.883524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.883524 (E_RNA) where: Base-Base interactions energy: -126.413 where: short stacking energy: -50.436 Base-Backbone interact. energy: -1.055 local terms energy: -60.416255 where: bonds (distance) C4'-P energy: -9.703 bonds (distance) P-C4' energy: -14.437 flat angles C4'-P-C4' energy: -12.760 flat angles P-C4'-P energy: -7.885 tors. eta vs tors. theta energy: -15.631 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: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -169.593785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.593785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.593785 (E_RNA) where: Base-Base interactions energy: -112.207 where: short stacking energy: -45.926 Base-Backbone interact. energy: -0.011 local terms energy: -57.375768 where: bonds (distance) C4'-P energy: -12.519 bonds (distance) P-C4' energy: -11.598 flat angles C4'-P-C4' energy: -11.512 flat angles P-C4'-P energy: -9.795 tors. eta vs tors. theta energy: -11.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -178.407302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.407302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.407302 (E_RNA) where: Base-Base interactions energy: -123.566 where: short stacking energy: -47.681 Base-Backbone interact. energy: -0.002 local terms energy: -54.838709 where: bonds (distance) C4'-P energy: -10.407 bonds (distance) P-C4' energy: -10.243 flat angles C4'-P-C4' energy: -14.540 flat angles P-C4'-P energy: -7.301 tors. eta vs tors. theta energy: -12.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -175.953125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.953125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.953125 (E_RNA) where: Base-Base interactions energy: -120.857 where: short stacking energy: -47.556 Base-Backbone interact. energy: -0.401 local terms energy: -54.695638 where: bonds (distance) C4'-P energy: -13.258 bonds (distance) P-C4' energy: -13.877 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -10.678 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: 9 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -167.191617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.191617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.191617 (E_RNA) where: Base-Base interactions energy: -110.644 where: short stacking energy: -45.391 Base-Backbone interact. energy: -0.629 local terms energy: -55.918666 where: bonds (distance) C4'-P energy: -11.970 bonds (distance) P-C4' energy: -13.219 flat angles C4'-P-C4' energy: -13.024 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -12.596 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: 7 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -77.258551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.258551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.258551 (E_RNA) where: Base-Base interactions energy: -33.318 where: short stacking energy: -17.547 Base-Backbone interact. energy: -0.058 local terms energy: -43.881945 where: bonds (distance) C4'-P energy: -11.459 bonds (distance) P-C4' energy: -13.778 flat angles C4'-P-C4' energy: -12.650 flat angles P-C4'-P energy: -7.709 tors. eta vs tors. theta energy: 1.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -73.037757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.037757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.037757 (E_RNA) where: Base-Base interactions energy: -32.981 where: short stacking energy: -23.290 Base-Backbone interact. energy: -0.142 local terms energy: -39.915132 where: bonds (distance) C4'-P energy: -10.601 bonds (distance) P-C4' energy: -12.523 flat angles C4'-P-C4' energy: -13.792 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: 2.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -69.023769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.023769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.023769 (E_RNA) where: Base-Base interactions energy: -25.817 where: short stacking energy: -12.774 Base-Backbone interact. energy: -0.348 local terms energy: -42.858817 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -10.070 flat angles C4'-P-C4' energy: -13.788 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -1.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -191.501151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.501151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.501151 (E_RNA) where: Base-Base interactions energy: -138.648 where: short stacking energy: -49.060 Base-Backbone interact. energy: -0.209 local terms energy: -52.644251 where: bonds (distance) C4'-P energy: -12.160 bonds (distance) P-C4' energy: -8.340 flat angles C4'-P-C4' energy: -9.434 flat angles P-C4'-P energy: -6.290 tors. eta vs tors. theta energy: -16.421 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: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -185.395399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.395399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.395399 (E_RNA) where: Base-Base interactions energy: -123.245 where: short stacking energy: -45.648 Base-Backbone interact. energy: -0.710 local terms energy: -61.440671 where: bonds (distance) C4'-P energy: -12.957 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -12.369 flat angles P-C4'-P energy: -8.225 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: 3, replica: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -180.882800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.882800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.882800 (E_RNA) where: Base-Base interactions energy: -124.119 where: short stacking energy: -54.714 Base-Backbone interact. energy: -0.001 local terms energy: -56.762739 where: bonds (distance) C4'-P energy: -12.365 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -12.592 flat angles P-C4'-P energy: -7.426 tors. eta vs tors. theta energy: -12.478 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: 4, replica: 3 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -177.973723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.973723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.973723 (E_RNA) where: Base-Base interactions energy: -121.747 where: short stacking energy: -46.875 Base-Backbone interact. energy: 1.267 local terms energy: -57.493925 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -10.545 flat angles C4'-P-C4' energy: -10.303 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -16.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -176.406335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.406335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.406335 (E_RNA) where: Base-Base interactions energy: -113.335 where: short stacking energy: -44.652 Base-Backbone interact. energy: 0.040 local terms energy: -63.111291 where: bonds (distance) C4'-P energy: -10.900 bonds (distance) P-C4' energy: -13.870 flat angles C4'-P-C4' energy: -12.813 flat angles P-C4'-P energy: -10.411 tors. eta vs tors. theta energy: -15.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -179.214054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.214054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.214054 (E_RNA) where: Base-Base interactions energy: -120.330 where: short stacking energy: -41.480 Base-Backbone interact. energy: -0.004 local terms energy: -58.879815 where: bonds (distance) C4'-P energy: -13.210 bonds (distance) P-C4' energy: -11.041 flat angles C4'-P-C4' energy: -12.085 flat angles P-C4'-P energy: -8.860 tors. eta vs tors. theta energy: -13.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -170.127526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.127526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.127526 (E_RNA) where: Base-Base interactions energy: -114.977 where: short stacking energy: -46.304 Base-Backbone interact. energy: -0.123 local terms energy: -55.027285 where: bonds (distance) C4'-P energy: -7.840 bonds (distance) P-C4' energy: -13.362 flat angles C4'-P-C4' energy: -11.856 flat angles P-C4'-P energy: -10.414 tors. eta vs tors. theta energy: -11.554 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: 7 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -72.978345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.978345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.978345 (E_RNA) where: Base-Base interactions energy: -31.178 where: short stacking energy: -21.219 Base-Backbone interact. energy: -0.044 local terms energy: -41.756667 where: bonds (distance) C4'-P energy: -5.865 bonds (distance) P-C4' energy: -13.702 flat angles C4'-P-C4' energy: -11.397 flat angles P-C4'-P energy: -6.739 tors. eta vs tors. theta energy: -4.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -69.825822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.825822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.825822 (E_RNA) where: Base-Base interactions energy: -36.547 where: short stacking energy: -12.858 Base-Backbone interact. energy: 1.112 local terms energy: -34.391541 where: bonds (distance) C4'-P energy: -12.282 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -9.419 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: 4.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -77.188328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.188328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.188328 (E_RNA) where: Base-Base interactions energy: -26.534 where: short stacking energy: -20.991 Base-Backbone interact. energy: 0.031 local terms energy: -50.685265 where: bonds (distance) C4'-P energy: -10.403 bonds (distance) P-C4' energy: -15.137 flat angles C4'-P-C4' energy: -10.172 flat angles P-C4'-P energy: -7.287 tors. eta vs tors. theta energy: -7.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -185.457247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.457247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.457247 (E_RNA) where: Base-Base interactions energy: -125.194 where: short stacking energy: -49.695 Base-Backbone interact. energy: 0.657 local terms energy: -60.920457 where: bonds (distance) C4'-P energy: -12.130 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -12.534 flat angles P-C4'-P energy: -10.481 tors. eta vs tors. theta energy: -13.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -187.792051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.792051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.792051 (E_RNA) where: Base-Base interactions energy: -119.852 where: short stacking energy: -45.827 Base-Backbone interact. energy: 0.321 local terms energy: -68.260943 where: bonds (distance) C4'-P energy: -12.228 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -11.712 tors. eta vs tors. theta energy: -16.172 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: 5 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -183.822352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.822352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.822352 (E_RNA) where: Base-Base interactions energy: -119.619 where: short stacking energy: -47.434 Base-Backbone interact. energy: -0.033 local terms energy: -64.170597 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -13.644 flat angles P-C4'-P energy: -9.268 tors. eta vs tors. theta energy: -13.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -186.680978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.680978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.680978 (E_RNA) where: Base-Base interactions energy: -130.640 where: short stacking energy: -48.696 Base-Backbone interact. energy: -0.064 local terms energy: -55.977463 where: bonds (distance) C4'-P energy: -10.762 bonds (distance) P-C4' energy: -9.304 flat angles C4'-P-C4' energy: -13.598 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -17.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -173.739784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.739784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.739784 (E_RNA) where: Base-Base interactions energy: -115.833 where: short stacking energy: -45.360 Base-Backbone interact. energy: -1.565 local terms energy: -56.341821 where: bonds (distance) C4'-P energy: -9.669 bonds (distance) P-C4' energy: -12.786 flat angles C4'-P-C4' energy: -11.104 flat angles P-C4'-P energy: -8.561 tors. eta vs tors. theta energy: -14.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -169.989260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.989260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.989260 (E_RNA) where: Base-Base interactions energy: -115.987 where: short stacking energy: -42.267 Base-Backbone interact. energy: 0.023 local terms energy: -54.025391 where: bonds (distance) C4'-P energy: -12.716 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -12.451 flat angles P-C4'-P energy: -6.873 tors. eta vs tors. theta energy: -10.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -170.395883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.395883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.395883 (E_RNA) where: Base-Base interactions energy: -116.471 where: short stacking energy: -41.531 Base-Backbone interact. energy: -0.077 local terms energy: -53.847733 where: bonds (distance) C4'-P energy: -8.030 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -10.877 flat angles P-C4'-P energy: -8.339 tors. eta vs tors. theta energy: -13.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -81.663422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.663422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.663422 (E_RNA) where: Base-Base interactions energy: -35.652 where: short stacking energy: -15.961 Base-Backbone interact. energy: -0.001 local terms energy: -46.010315 where: bonds (distance) C4'-P energy: -13.707 bonds (distance) P-C4' energy: -8.749 flat angles C4'-P-C4' energy: -11.940 flat angles P-C4'-P energy: -9.177 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -77.887895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.887895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.887895 (E_RNA) where: Base-Base interactions energy: -33.072 where: short stacking energy: -14.004 Base-Backbone interact. energy: -0.269 local terms energy: -44.546908 where: bonds (distance) C4'-P energy: -12.037 bonds (distance) P-C4' energy: -12.545 flat angles C4'-P-C4' energy: -11.083 flat angles P-C4'-P energy: -6.963 tors. eta vs tors. theta energy: -1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -74.788424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.788424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.788424 (E_RNA) where: Base-Base interactions energy: -32.081 where: short stacking energy: -22.676 Base-Backbone interact. energy: -0.248 local terms energy: -42.458713 where: bonds (distance) C4'-P energy: -11.524 bonds (distance) P-C4' energy: -11.670 flat angles C4'-P-C4' energy: -9.777 flat angles P-C4'-P energy: -5.751 tors. eta vs tors. theta energy: -3.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -182.576071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.576071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.576071 (E_RNA) where: Base-Base interactions energy: -124.492 where: short stacking energy: -50.421 Base-Backbone interact. energy: 0.040 local terms energy: -58.123646 where: bonds (distance) C4'-P energy: -14.315 bonds (distance) P-C4' energy: -11.334 flat angles C4'-P-C4' energy: -11.898 flat angles P-C4'-P energy: -7.570 tors. eta vs tors. theta energy: -13.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -177.711686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.711686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.711686 (E_RNA) where: Base-Base interactions energy: -121.662 where: short stacking energy: -55.254 Base-Backbone interact. energy: -0.173 local terms energy: -55.876207 where: bonds (distance) C4'-P energy: -11.910 bonds (distance) P-C4' energy: -12.148 flat angles C4'-P-C4' energy: -12.607 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -15.330 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: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -182.135281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.135281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.135281 (E_RNA) where: Base-Base interactions energy: -123.511 where: short stacking energy: -51.396 Base-Backbone interact. energy: -0.231 local terms energy: -58.393560 where: bonds (distance) C4'-P energy: -11.028 bonds (distance) P-C4' energy: -10.943 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -9.459 tors. eta vs tors. theta energy: -12.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -175.424588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.424588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.424588 (E_RNA) where: Base-Base interactions energy: -116.164 where: short stacking energy: -46.622 Base-Backbone interact. energy: 2.110 local terms energy: -61.370668 where: bonds (distance) C4'-P energy: -12.030 bonds (distance) P-C4' energy: -12.665 flat angles C4'-P-C4' energy: -12.978 flat angles P-C4'-P energy: -9.769 tors. eta vs tors. theta energy: -13.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -162.066483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.066483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.066483 (E_RNA) where: Base-Base interactions energy: -110.543 where: short stacking energy: -47.956 Base-Backbone interact. energy: -0.796 local terms energy: -50.727871 where: bonds (distance) C4'-P energy: -10.745 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -11.043 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: -11.983 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: 6, replica: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -177.377373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.377373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.377373 (E_RNA) where: Base-Base interactions energy: -115.054 where: short stacking energy: -42.455 Base-Backbone interact. energy: -0.041 local terms energy: -62.282662 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -13.141 flat angles P-C4'-P energy: -9.860 tors. eta vs tors. theta energy: -14.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -158.287289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.287289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.287289 (E_RNA) where: Base-Base interactions energy: -105.160 where: short stacking energy: -43.919 Base-Backbone interact. energy: -0.114 local terms energy: -53.012800 where: bonds (distance) C4'-P energy: -10.978 bonds (distance) P-C4' energy: -13.029 flat angles C4'-P-C4' energy: -9.573 flat angles P-C4'-P energy: -7.906 tors. eta vs tors. theta energy: -11.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -76.857801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.857801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.857801 (E_RNA) where: Base-Base interactions energy: -35.669 where: short stacking energy: -14.445 Base-Backbone interact. energy: -0.081 local terms energy: -41.107083 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -9.753 flat angles P-C4'-P energy: -5.553 tors. eta vs tors. theta energy: -5.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -63.923375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.923375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.923375 (E_RNA) where: Base-Base interactions energy: -27.873 where: short stacking energy: -23.538 Base-Backbone interact. energy: -0.159 local terms energy: -35.891900 where: bonds (distance) C4'-P energy: -10.203 bonds (distance) P-C4' energy: -9.735 flat angles C4'-P-C4' energy: -9.162 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -2.566 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: 294 Temperature: 1.350000 Total energy: -60.346799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.346799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.346799 (E_RNA) where: Base-Base interactions energy: -20.407 where: short stacking energy: -19.332 Base-Backbone interact. energy: -0.177 local terms energy: -39.762710 where: bonds (distance) C4'-P energy: -11.517 bonds (distance) P-C4' energy: -9.235 flat angles C4'-P-C4' energy: -9.159 flat angles P-C4'-P energy: -6.542 tors. eta vs tors. theta energy: -3.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -191.120078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.120078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.120078 (E_RNA) where: Base-Base interactions energy: -125.541 where: short stacking energy: -53.500 Base-Backbone interact. energy: -0.101 local terms energy: -65.478959 where: bonds (distance) C4'-P energy: -14.186 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -7.251 tors. eta vs tors. theta energy: -17.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -186.542778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.542778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.542778 (E_RNA) where: Base-Base interactions energy: -125.723 where: short stacking energy: -51.302 Base-Backbone interact. energy: 0.031 local terms energy: -60.850091 where: bonds (distance) C4'-P energy: -12.807 bonds (distance) P-C4' energy: -14.457 flat angles C4'-P-C4' energy: -12.697 flat angles P-C4'-P energy: -7.267 tors. eta vs tors. theta energy: -13.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -182.102554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.102554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.102554 (E_RNA) where: Base-Base interactions energy: -122.709 where: short stacking energy: -51.031 Base-Backbone interact. energy: -0.257 local terms energy: -59.137046 where: bonds (distance) C4'-P energy: -10.915 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -13.908 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -13.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -172.702183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.702183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.702183 (E_RNA) where: Base-Base interactions energy: -124.165 where: short stacking energy: -49.327 Base-Backbone interact. energy: 0.177 local terms energy: -48.713776 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -6.370 flat angles C4'-P-C4' energy: -14.679 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -9.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -182.583519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.583519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.583519 (E_RNA) where: Base-Base interactions energy: -122.449 where: short stacking energy: -54.474 Base-Backbone interact. energy: -0.087 local terms energy: -60.047752 where: bonds (distance) C4'-P energy: -12.025 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -12.662 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -15.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -167.438035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.438035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.438035 (E_RNA) where: Base-Base interactions energy: -126.514 where: short stacking energy: -47.961 Base-Backbone interact. energy: 0.190 local terms energy: -41.114147 where: bonds (distance) C4'-P energy: -11.467 bonds (distance) P-C4' energy: -3.762 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -4.725 tors. eta vs tors. theta energy: -15.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -162.098732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.098732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.098732 (E_RNA) where: Base-Base interactions energy: -111.641 where: short stacking energy: -43.688 Base-Backbone interact. energy: -0.028 local terms energy: -50.430101 where: bonds (distance) C4'-P energy: -7.753 bonds (distance) P-C4' energy: -11.815 flat angles C4'-P-C4' energy: -9.906 flat angles P-C4'-P energy: -8.807 tors. eta vs tors. theta energy: -12.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -72.496905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.496905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.496905 (E_RNA) where: Base-Base interactions energy: -27.617 where: short stacking energy: -20.296 Base-Backbone interact. energy: -0.735 local terms energy: -44.144705 where: bonds (distance) C4'-P energy: -11.504 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -11.517 flat angles P-C4'-P energy: -8.242 tors. eta vs tors. theta energy: 1.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -84.510099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.510099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.510099 (E_RNA) where: Base-Base interactions energy: -46.230 where: short stacking energy: -21.862 Base-Backbone interact. energy: -0.032 local terms energy: -38.247946 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -8.469 flat angles C4'-P-C4' energy: -9.478 flat angles P-C4'-P energy: -6.085 tors. eta vs tors. theta energy: -2.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -59.954511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.954511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.954511 (E_RNA) where: Base-Base interactions energy: -26.256 where: short stacking energy: -23.831 Base-Backbone interact. energy: 3.336 local terms energy: -37.033860 where: bonds (distance) C4'-P energy: -11.491 bonds (distance) P-C4' energy: -9.940 flat angles C4'-P-C4' energy: -8.932 flat angles P-C4'-P energy: -8.044 tors. eta vs tors. theta energy: 1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -192.525509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.525509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.525509 (E_RNA) where: Base-Base interactions energy: -131.534 where: short stacking energy: -51.542 Base-Backbone interact. energy: -0.037 local terms energy: -60.954833 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -12.323 flat angles C4'-P-C4' energy: -13.302 flat angles P-C4'-P energy: -7.319 tors. eta vs tors. theta energy: -14.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -188.948967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.948967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.948967 (E_RNA) where: Base-Base interactions energy: -128.596 where: short stacking energy: -49.104 Base-Backbone interact. energy: -0.179 local terms energy: -60.173232 where: bonds (distance) C4'-P energy: -13.906 bonds (distance) P-C4' energy: -11.951 flat angles C4'-P-C4' energy: -12.300 flat angles P-C4'-P energy: -6.736 tors. eta vs tors. theta energy: -15.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -182.720228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.720228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.720228 (E_RNA) where: Base-Base interactions energy: -121.464 where: short stacking energy: -50.188 Base-Backbone interact. energy: -0.077 local terms energy: -61.178623 where: bonds (distance) C4'-P energy: -13.979 bonds (distance) P-C4' energy: -13.874 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -5.654 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: 4, replica: 9 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -183.655976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.655976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.655976 (E_RNA) where: Base-Base interactions energy: -128.787 where: short stacking energy: -57.217 Base-Backbone interact. energy: -0.536 local terms energy: -54.332661 where: bonds (distance) C4'-P energy: -9.713 bonds (distance) P-C4' energy: -13.292 flat angles C4'-P-C4' energy: -11.961 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -15.260 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: 3 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -177.259106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.259106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.259106 (E_RNA) where: Base-Base interactions energy: -117.718 where: short stacking energy: -50.226 Base-Backbone interact. energy: -0.007 local terms energy: -59.533794 where: bonds (distance) C4'-P energy: -9.669 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -12.585 flat angles P-C4'-P energy: -7.557 tors. eta vs tors. theta energy: -16.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -173.102926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.102926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.102926 (E_RNA) where: Base-Base interactions energy: -126.242 where: short stacking energy: -54.856 Base-Backbone interact. energy: -0.010 local terms energy: -46.850797 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -12.213 flat angles C4'-P-C4' energy: -8.652 flat angles P-C4'-P energy: -6.022 tors. eta vs tors. theta energy: -11.798 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: 8 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -164.770988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.770988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.770988 (E_RNA) where: Base-Base interactions energy: -106.944 where: short stacking energy: -42.874 Base-Backbone interact. energy: 0.648 local terms energy: -58.475518 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -11.803 flat angles C4'-P-C4' energy: -11.578 flat angles P-C4'-P energy: -10.949 tors. eta vs tors. theta energy: -11.678 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: 8, replica: 1 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -88.234822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.234822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.234822 (E_RNA) where: Base-Base interactions energy: -45.097 where: short stacking energy: -29.912 Base-Backbone interact. energy: 0.321 local terms energy: -43.458628 where: bonds (distance) C4'-P energy: -8.959 bonds (distance) P-C4' energy: -10.254 flat angles C4'-P-C4' energy: -10.597 flat angles P-C4'-P energy: -7.584 tors. eta vs tors. theta energy: -6.065 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: 7 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -69.444167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.444167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.444167 (E_RNA) where: Base-Base interactions energy: -27.734 where: short stacking energy: -22.774 Base-Backbone interact. energy: -0.304 local terms energy: -41.406440 where: bonds (distance) C4'-P energy: -9.968 bonds (distance) P-C4' energy: -14.762 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -7.809 tors. eta vs tors. theta energy: -3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -65.552331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.552331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.552331 (E_RNA) where: Base-Base interactions energy: -27.922 where: short stacking energy: -24.666 Base-Backbone interact. energy: -0.042 local terms energy: -37.588950 where: bonds (distance) C4'-P energy: -5.918 bonds (distance) P-C4' energy: -9.288 flat angles C4'-P-C4' energy: -9.013 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -7.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -185.134663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.134663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.134663 (E_RNA) where: Base-Base interactions energy: -130.901 where: short stacking energy: -51.293 Base-Backbone interact. energy: -0.197 local terms energy: -54.036717 where: bonds (distance) C4'-P energy: -13.209 bonds (distance) P-C4' energy: -7.278 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -6.591 tors. eta vs tors. theta energy: -13.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -183.243085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.243085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.243085 (E_RNA) where: Base-Base interactions energy: -118.264 where: short stacking energy: -49.176 Base-Backbone interact. energy: -1.302 local terms energy: -63.677383 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -14.653 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -16.837 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: 4 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -182.021671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.021671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.021671 (E_RNA) where: Base-Base interactions energy: -126.842 where: short stacking energy: -53.154 Base-Backbone interact. energy: -0.131 local terms energy: -55.048556 where: bonds (distance) C4'-P energy: -9.931 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -8.258 tors. eta vs tors. theta energy: -14.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -180.293382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.293382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.293382 (E_RNA) where: Base-Base interactions energy: -121.881 where: short stacking energy: -46.268 Base-Backbone interact. energy: -0.013 local terms energy: -58.399241 where: bonds (distance) C4'-P energy: -12.238 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -12.745 flat angles P-C4'-P energy: -6.154 tors. eta vs tors. theta energy: -14.238 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: 9 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -190.335005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.335005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.335005 (E_RNA) where: Base-Base interactions energy: -133.862 where: short stacking energy: -59.269 Base-Backbone interact. energy: -0.010 local terms energy: -56.463019 where: bonds (distance) C4'-P energy: -12.684 bonds (distance) P-C4' energy: -11.927 flat angles C4'-P-C4' energy: -13.709 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -13.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -169.897100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.897100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.897100 (E_RNA) where: Base-Base interactions energy: -115.494 where: short stacking energy: -45.081 Base-Backbone interact. energy: -0.060 local terms energy: -54.342462 where: bonds (distance) C4'-P energy: -7.886 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -12.076 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -13.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -167.645694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.645694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.645694 (E_RNA) where: Base-Base interactions energy: -110.441 where: short stacking energy: -38.758 Base-Backbone interact. energy: -0.002 local terms energy: -57.202375 where: bonds (distance) C4'-P energy: -8.824 bonds (distance) P-C4' energy: -13.669 flat angles C4'-P-C4' energy: -12.493 flat angles P-C4'-P energy: -8.755 tors. eta vs tors. theta energy: -13.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -70.056541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.056541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.056541 (E_RNA) where: Base-Base interactions energy: -33.468 where: short stacking energy: -22.713 Base-Backbone interact. energy: 0.221 local terms energy: -36.810110 where: bonds (distance) C4'-P energy: -9.769 bonds (distance) P-C4' energy: -11.647 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -5.023 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: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -69.990430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.990430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.990430 (E_RNA) where: Base-Base interactions energy: -35.169 where: short stacking energy: -17.911 Base-Backbone interact. energy: -0.630 local terms energy: -34.192023 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -12.695 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -6.748 tors. eta vs tors. theta energy: 4.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -66.325236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.325236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.325236 (E_RNA) where: Base-Base interactions energy: -30.128 where: short stacking energy: -9.469 Base-Backbone interact. energy: -0.734 local terms energy: -35.462868 where: bonds (distance) C4'-P energy: -13.640 bonds (distance) P-C4' energy: -12.986 flat angles C4'-P-C4' energy: -3.156 flat angles P-C4'-P energy: -7.180 tors. eta vs tors. theta energy: 1.499 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: 5 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -186.294968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.294968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.294968 (E_RNA) where: Base-Base interactions energy: -124.691 where: short stacking energy: -54.582 Base-Backbone interact. energy: -0.001 local terms energy: -61.602894 where: bonds (distance) C4'-P energy: -14.208 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -11.686 flat angles P-C4'-P energy: -6.644 tors. eta vs tors. theta energy: -15.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -189.756005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.756005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.756005 (E_RNA) where: Base-Base interactions energy: -128.728 where: short stacking energy: -48.941 Base-Backbone interact. energy: -0.732 local terms energy: -60.295858 where: bonds (distance) C4'-P energy: -11.471 bonds (distance) P-C4' energy: -11.697 flat angles C4'-P-C4' energy: -14.137 flat angles P-C4'-P energy: -8.037 tors. eta vs tors. theta energy: -14.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -182.827069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.827069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.827069 (E_RNA) where: Base-Base interactions energy: -125.836 where: short stacking energy: -54.646 Base-Backbone interact. energy: -0.900 local terms energy: -56.090909 where: bonds (distance) C4'-P energy: -10.403 bonds (distance) P-C4' energy: -6.949 flat angles C4'-P-C4' energy: -13.428 flat angles P-C4'-P energy: -10.322 tors. eta vs tors. theta energy: -14.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -189.688545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.688545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.688545 (E_RNA) where: Base-Base interactions energy: -125.180 where: short stacking energy: -53.809 Base-Backbone interact. energy: -0.081 local terms energy: -64.427770 where: bonds (distance) C4'-P energy: -13.142 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -11.094 flat angles P-C4'-P energy: -8.779 tors. eta vs tors. theta energy: -18.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -179.288947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.288947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.288947 (E_RNA) where: Base-Base interactions energy: -121.555 where: short stacking energy: -46.151 Base-Backbone interact. energy: -0.003 local terms energy: -57.731611 where: bonds (distance) C4'-P energy: -14.007 bonds (distance) P-C4' energy: -10.273 flat angles C4'-P-C4' energy: -12.454 flat angles P-C4'-P energy: -6.260 tors. eta vs tors. theta energy: -14.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -174.265893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.265893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.265893 (E_RNA) where: Base-Base interactions energy: -115.530 where: short stacking energy: -47.217 Base-Backbone interact. energy: -0.101 local terms energy: -58.634133 where: bonds (distance) C4'-P energy: -13.756 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -11.195 flat angles P-C4'-P energy: -8.312 tors. eta vs tors. theta energy: -11.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -174.200988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.200988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.200988 (E_RNA) where: Base-Base interactions energy: -119.973 where: short stacking energy: -45.028 Base-Backbone interact. energy: -0.091 local terms energy: -54.136834 where: bonds (distance) C4'-P energy: -11.878 bonds (distance) P-C4' energy: -13.362 flat angles C4'-P-C4' energy: -8.245 flat angles P-C4'-P energy: -7.813 tors. eta vs tors. theta energy: -12.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -70.401876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.401876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.401876 (E_RNA) where: Base-Base interactions energy: -20.165 where: short stacking energy: -20.565 Base-Backbone interact. energy: -0.179 local terms energy: -50.057909 where: bonds (distance) C4'-P energy: -12.509 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -10.650 flat angles P-C4'-P energy: -8.723 tors. eta vs tors. theta energy: -3.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -74.435367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.435367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.435367 (E_RNA) where: Base-Base interactions energy: -37.540 where: short stacking energy: -23.507 Base-Backbone interact. energy: -0.330 local terms energy: -36.565331 where: bonds (distance) C4'-P energy: -4.925 bonds (distance) P-C4' energy: -12.292 flat angles C4'-P-C4' energy: -11.877 flat angles P-C4'-P energy: -6.353 tors. eta vs tors. theta energy: -1.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -60.885952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.885952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.885952 (E_RNA) where: Base-Base interactions energy: -20.916 where: short stacking energy: -6.789 Base-Backbone interact. energy: -0.201 local terms energy: -39.768554 where: bonds (distance) C4'-P energy: -9.955 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -9.000 flat angles P-C4'-P energy: -8.588 tors. eta vs tors. theta energy: 0.835 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: 5 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -193.558817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.558817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.558817 (E_RNA) where: Base-Base interactions energy: -126.254 where: short stacking energy: -56.955 Base-Backbone interact. energy: -0.003 local terms energy: -67.302717 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -15.140 flat angles C4'-P-C4' energy: -15.403 flat angles P-C4'-P energy: -8.725 tors. eta vs tors. theta energy: -14.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -194.908958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.908958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.908958 (E_RNA) where: Base-Base interactions energy: -131.718 where: short stacking energy: -57.665 Base-Backbone interact. energy: -0.078 local terms energy: -63.112071 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -13.588 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -6.038 tors. eta vs tors. theta energy: -16.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -181.830915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.830915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.830915 (E_RNA) where: Base-Base interactions energy: -125.824 where: short stacking energy: -54.792 Base-Backbone interact. energy: -0.164 local terms energy: -55.842937 where: bonds (distance) C4'-P energy: -10.841 bonds (distance) P-C4' energy: -11.990 flat angles C4'-P-C4' energy: -10.580 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -16.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -174.629698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.629698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.629698 (E_RNA) where: Base-Base interactions energy: -119.220 where: short stacking energy: -46.228 Base-Backbone interact. energy: -0.194 local terms energy: -55.215685 where: bonds (distance) C4'-P energy: -10.784 bonds (distance) P-C4' energy: -10.918 flat angles C4'-P-C4' energy: -9.595 flat angles P-C4'-P energy: -10.971 tors. eta vs tors. theta energy: -12.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -178.857920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.857920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.857920 (E_RNA) where: Base-Base interactions energy: -120.558 where: short stacking energy: -51.936 Base-Backbone interact. energy: -1.552 local terms energy: -56.747522 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -8.675 flat angles C4'-P-C4' energy: -14.524 flat angles P-C4'-P energy: -6.878 tors. eta vs tors. theta energy: -14.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -172.342776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.342776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.342776 (E_RNA) where: Base-Base interactions energy: -109.584 where: short stacking energy: -41.887 Base-Backbone interact. energy: -0.386 local terms energy: -62.372737 where: bonds (distance) C4'-P energy: -10.718 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -12.377 flat angles P-C4'-P energy: -9.010 tors. eta vs tors. theta energy: -15.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -172.376927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.376927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.376927 (E_RNA) where: Base-Base interactions energy: -113.012 where: short stacking energy: -46.201 Base-Backbone interact. energy: -0.030 local terms energy: -59.334614 where: bonds (distance) C4'-P energy: -10.787 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -14.600 flat angles P-C4'-P energy: -8.716 tors. eta vs tors. theta energy: -12.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -70.411261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.411261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.411261 (E_RNA) where: Base-Base interactions energy: -31.126 where: short stacking energy: -15.370 Base-Backbone interact. energy: -0.123 local terms energy: -39.162886 where: bonds (distance) C4'-P energy: -6.021 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -7.962 flat angles P-C4'-P energy: -9.813 tors. eta vs tors. theta energy: -2.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -70.888635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.888635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.888635 (E_RNA) where: Base-Base interactions energy: -26.654 where: short stacking energy: -24.861 Base-Backbone interact. energy: -0.128 local terms energy: -44.106076 where: bonds (distance) C4'-P energy: -10.593 bonds (distance) P-C4' energy: -9.731 flat angles C4'-P-C4' energy: -11.734 flat angles P-C4'-P energy: -9.373 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -62.425320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.425320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.425320 (E_RNA) where: Base-Base interactions energy: -20.351 where: short stacking energy: -16.087 Base-Backbone interact. energy: -0.136 local terms energy: -41.938594 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -9.862 flat angles P-C4'-P energy: -7.332 tors. eta vs tors. theta energy: 1.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -194.619857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.619857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.619857 (E_RNA) where: Base-Base interactions energy: -128.547 where: short stacking energy: -56.286 Base-Backbone interact. energy: -1.149 local terms energy: -64.923443 where: bonds (distance) C4'-P energy: -14.865 bonds (distance) P-C4' energy: -10.718 flat angles C4'-P-C4' energy: -11.836 flat angles P-C4'-P energy: -9.866 tors. eta vs tors. theta energy: -17.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -187.248927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.248927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.248927 (E_RNA) where: Base-Base interactions energy: -125.409 where: short stacking energy: -49.132 Base-Backbone interact. energy: -0.014 local terms energy: -61.826485 where: bonds (distance) C4'-P energy: -9.437 bonds (distance) P-C4' energy: -11.604 flat angles C4'-P-C4' energy: -15.861 flat angles P-C4'-P energy: -10.889 tors. eta vs tors. theta energy: -14.035 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: 2 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -183.666408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.666408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.666408 (E_RNA) where: Base-Base interactions energy: -124.171 where: short stacking energy: -53.997 Base-Backbone interact. energy: -0.084 local terms energy: -59.411802 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -12.441 flat angles C4'-P-C4' energy: -11.848 flat angles P-C4'-P energy: -7.687 tors. eta vs tors. theta energy: -15.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -177.749783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.749783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.749783 (E_RNA) where: Base-Base interactions energy: -122.839 where: short stacking energy: -55.588 Base-Backbone interact. energy: -0.001 local terms energy: -54.909594 where: bonds (distance) C4'-P energy: -11.313 bonds (distance) P-C4' energy: -10.587 flat angles C4'-P-C4' energy: -12.405 flat angles P-C4'-P energy: -6.932 tors. eta vs tors. theta energy: -13.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -180.886137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.886137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.886137 (E_RNA) where: Base-Base interactions energy: -119.269 where: short stacking energy: -51.563 Base-Backbone interact. energy: 0.054 local terms energy: -61.670455 where: bonds (distance) C4'-P energy: -13.834 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -11.739 flat angles P-C4'-P energy: -7.542 tors. eta vs tors. theta energy: -13.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -165.554603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.554603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.554603 (E_RNA) where: Base-Base interactions energy: -111.921 where: short stacking energy: -46.693 Base-Backbone interact. energy: -0.065 local terms energy: -53.568984 where: bonds (distance) C4'-P energy: -13.033 bonds (distance) P-C4' energy: -9.564 flat angles C4'-P-C4' energy: -12.988 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: -15.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -159.654659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.654659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.654659 (E_RNA) where: Base-Base interactions energy: -110.222 where: short stacking energy: -40.009 Base-Backbone interact. energy: -1.376 local terms energy: -48.057187 where: bonds (distance) C4'-P energy: -9.280 bonds (distance) P-C4' energy: -8.767 flat angles C4'-P-C4' energy: -11.592 flat angles P-C4'-P energy: -7.729 tors. eta vs tors. theta energy: -10.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -75.634225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.634225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.634225 (E_RNA) where: Base-Base interactions energy: -30.108 where: short stacking energy: -21.991 Base-Backbone interact. energy: -0.022 local terms energy: -45.503930 where: bonds (distance) C4'-P energy: -10.365 bonds (distance) P-C4' energy: -12.056 flat angles C4'-P-C4' energy: -10.991 flat angles P-C4'-P energy: -6.448 tors. eta vs tors. theta energy: -5.644 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: 300 Temperature: 1.300000 Total energy: -70.546150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.546150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.546150 (E_RNA) where: Base-Base interactions energy: -25.902 where: short stacking energy: -20.870 Base-Backbone interact. energy: 0.327 local terms energy: -44.971764 where: bonds (distance) C4'-P energy: -11.669 bonds (distance) P-C4' energy: -12.651 flat angles C4'-P-C4' energy: -9.978 flat angles P-C4'-P energy: -9.659 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: 10, replica: 10 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -58.778775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.778775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.778775 (E_RNA) where: Base-Base interactions energy: -17.338 where: short stacking energy: -17.338 Base-Backbone interact. energy: -0.187 local terms energy: -41.253097 where: bonds (distance) C4'-P energy: -12.038 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -6.929 flat angles P-C4'-P energy: -6.984 tors. eta vs tors. theta energy: -1.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -190.695469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.695469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.695469 (E_RNA) where: Base-Base interactions energy: -130.960 where: short stacking energy: -50.719 Base-Backbone interact. energy: -0.012 local terms energy: -59.723091 where: bonds (distance) C4'-P energy: -13.010 bonds (distance) P-C4' energy: -10.682 flat angles C4'-P-C4' energy: -13.251 flat angles P-C4'-P energy: -6.999 tors. eta vs tors. theta energy: -15.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -185.966524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.966524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.966524 (E_RNA) where: Base-Base interactions energy: -116.270 where: short stacking energy: -42.662 Base-Backbone interact. energy: -0.101 local terms energy: -69.595785 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -15.829 flat angles P-C4'-P energy: -9.291 tors. eta vs tors. theta energy: -16.256 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: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -185.564733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.564733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.564733 (E_RNA) where: Base-Base interactions energy: -125.616 where: short stacking energy: -46.595 Base-Backbone interact. energy: -0.156 local terms energy: -59.792400 where: bonds (distance) C4'-P energy: -11.372 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -13.043 flat angles P-C4'-P energy: -5.502 tors. eta vs tors. theta energy: -16.386 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: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -187.453568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.453568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.453568 (E_RNA) where: Base-Base interactions energy: -121.043 where: short stacking energy: -47.598 Base-Backbone interact. energy: -0.327 local terms energy: -66.083966 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -12.305 flat angles P-C4'-P energy: -10.990 tors. eta vs tors. theta energy: -15.186 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: 4 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -178.047817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.047817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.047817 (E_RNA) where: Base-Base interactions energy: -117.879 where: short stacking energy: -49.979 Base-Backbone interact. energy: -0.755 local terms energy: -59.413291 where: bonds (distance) C4'-P energy: -12.685 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -13.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -168.855136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.855136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.855136 (E_RNA) where: Base-Base interactions energy: -115.682 where: short stacking energy: -47.431 Base-Backbone interact. energy: -0.001 local terms energy: -53.172947 where: bonds (distance) C4'-P energy: -12.432 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -8.303 tors. eta vs tors. theta energy: -10.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -167.519732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.519732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.519732 (E_RNA) where: Base-Base interactions energy: -118.978 where: short stacking energy: -47.544 Base-Backbone interact. energy: -0.083 local terms energy: -48.458577 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -10.672 flat angles C4'-P-C4' energy: -13.596 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -13.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -69.210902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.210902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.210902 (E_RNA) where: Base-Base interactions energy: -26.944 where: short stacking energy: -11.648 Base-Backbone interact. energy: -0.173 local terms energy: -42.093169 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -12.074 flat angles C4'-P-C4' energy: -9.297 flat angles P-C4'-P energy: -8.375 tors. eta vs tors. theta energy: -0.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -60.188747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.188747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.188747 (E_RNA) where: Base-Base interactions energy: -20.626 where: short stacking energy: -16.179 Base-Backbone interact. energy: -0.209 local terms energy: -39.353919 where: bonds (distance) C4'-P energy: -11.658 bonds (distance) P-C4' energy: -11.437 flat angles C4'-P-C4' energy: -11.489 flat angles P-C4'-P energy: -7.001 tors. eta vs tors. theta energy: 2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -77.439697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.439697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.439697 (E_RNA) where: Base-Base interactions energy: -36.845 where: short stacking energy: -14.026 Base-Backbone interact. energy: -0.117 local terms energy: -40.477461 where: bonds (distance) C4'-P energy: -10.523 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -12.764 flat angles P-C4'-P energy: -9.185 tors. eta vs tors. theta energy: 4.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -187.511114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.511114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.511114 (E_RNA) where: Base-Base interactions energy: -127.178 where: short stacking energy: -52.165 Base-Backbone interact. energy: -0.004 local terms energy: -60.329718 where: bonds (distance) C4'-P energy: -10.365 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -14.166 flat angles P-C4'-P energy: -9.759 tors. eta vs tors. theta energy: -13.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -186.960745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.960745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.960745 (E_RNA) where: Base-Base interactions energy: -128.565 where: short stacking energy: -48.173 Base-Backbone interact. energy: -0.041 local terms energy: -58.354404 where: bonds (distance) C4'-P energy: -11.152 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -14.329 flat angles P-C4'-P energy: -3.396 tors. eta vs tors. theta energy: -16.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -186.894802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.894802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.894802 (E_RNA) where: Base-Base interactions energy: -126.010 where: short stacking energy: -52.391 Base-Backbone interact. energy: -0.022 local terms energy: -60.862979 where: bonds (distance) C4'-P energy: -11.123 bonds (distance) P-C4' energy: -12.701 flat angles C4'-P-C4' energy: -13.727 flat angles P-C4'-P energy: -9.085 tors. eta vs tors. theta energy: -14.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -175.563037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.563037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.563037 (E_RNA) where: Base-Base interactions energy: -117.195 where: short stacking energy: -48.070 Base-Backbone interact. energy: -2.112 local terms energy: -56.255734 where: bonds (distance) C4'-P energy: -9.559 bonds (distance) P-C4' energy: -10.743 flat angles C4'-P-C4' energy: -14.124 flat angles P-C4'-P energy: -7.119 tors. eta vs tors. theta energy: -14.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -182.626119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.626119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.626119 (E_RNA) where: Base-Base interactions energy: -124.265 where: short stacking energy: -48.257 Base-Backbone interact. energy: -0.261 local terms energy: -58.100293 where: bonds (distance) C4'-P energy: -12.731 bonds (distance) P-C4' energy: -12.380 flat angles C4'-P-C4' energy: -12.943 flat angles P-C4'-P energy: -7.808 tors. eta vs tors. theta energy: -12.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -172.360541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.360541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.360541 (E_RNA) where: Base-Base interactions energy: -119.084 where: short stacking energy: -47.193 Base-Backbone interact. energy: -0.094 local terms energy: -53.182137 where: bonds (distance) C4'-P energy: -13.189 bonds (distance) P-C4' energy: -8.691 flat angles C4'-P-C4' energy: -13.235 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -12.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -178.428558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.428558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.428558 (E_RNA) where: Base-Base interactions energy: -125.342 where: short stacking energy: -51.999 Base-Backbone interact. energy: -0.004 local terms energy: -53.082310 where: bonds (distance) C4'-P energy: -9.152 bonds (distance) P-C4' energy: -12.098 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -9.069 tors. eta vs tors. theta energy: -15.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -76.989954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.989954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.989954 (E_RNA) where: Base-Base interactions energy: -29.505 where: short stacking energy: -29.505 Base-Backbone interact. energy: -0.464 local terms energy: -47.021123 where: bonds (distance) C4'-P energy: -11.065 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -9.153 tors. eta vs tors. theta energy: -4.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -63.415543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.415543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.415543 (E_RNA) where: Base-Base interactions energy: -25.774 where: short stacking energy: -25.774 Base-Backbone interact. energy: -0.413 local terms energy: -37.228602 where: bonds (distance) C4'-P energy: -7.517 bonds (distance) P-C4' energy: -8.050 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -5.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -67.704269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.704269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.704269 (E_RNA) where: Base-Base interactions energy: -24.347 where: short stacking energy: -16.092 Base-Backbone interact. energy: -0.331 local terms energy: -43.026506 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -9.501 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -187.473373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.473373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.473373 (E_RNA) where: Base-Base interactions energy: -127.442 where: short stacking energy: -56.469 Base-Backbone interact. energy: -0.001 local terms energy: -60.031080 where: bonds (distance) C4'-P energy: -12.979 bonds (distance) P-C4' energy: -12.552 flat angles C4'-P-C4' energy: -12.076 flat angles P-C4'-P energy: -7.909 tors. eta vs tors. theta energy: -14.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -188.817692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.817692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.817692 (E_RNA) where: Base-Base interactions energy: -127.426 where: short stacking energy: -51.028 Base-Backbone interact. energy: -0.167 local terms energy: -61.225038 where: bonds (distance) C4'-P energy: -14.170 bonds (distance) P-C4' energy: -12.761 flat angles C4'-P-C4' energy: -12.799 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -16.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -186.251021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.251021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.251021 (E_RNA) where: Base-Base interactions energy: -121.766 where: short stacking energy: -50.566 Base-Backbone interact. energy: -0.054 local terms energy: -64.431038 where: bonds (distance) C4'-P energy: -14.493 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -10.780 flat angles P-C4'-P energy: -9.125 tors. eta vs tors. theta energy: -15.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -174.920224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.920224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.920224 (E_RNA) where: Base-Base interactions energy: -123.199 where: short stacking energy: -43.151 Base-Backbone interact. energy: -0.097 local terms energy: -51.624624 where: bonds (distance) C4'-P energy: -9.405 bonds (distance) P-C4' energy: -10.415 flat angles C4'-P-C4' energy: -7.944 flat angles P-C4'-P energy: -6.103 tors. eta vs tors. theta energy: -17.757 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: 303 Temperature: 1.100000 Total energy: -172.768906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.768906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.768906 (E_RNA) where: Base-Base interactions energy: -115.873 where: short stacking energy: -49.727 Base-Backbone interact. energy: 1.477 local terms energy: -58.373614 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -13.707 flat angles C4'-P-C4' energy: -9.598 flat angles P-C4'-P energy: -8.583 tors. eta vs tors. theta energy: -12.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -171.651679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.651679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.651679 (E_RNA) where: Base-Base interactions energy: -113.563 where: short stacking energy: -45.349 Base-Backbone interact. energy: -0.109 local terms energy: -57.980057 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -12.447 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -15.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -165.247358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.247358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.247358 (E_RNA) where: Base-Base interactions energy: -108.957 where: short stacking energy: -44.577 Base-Backbone interact. energy: -1.070 local terms energy: -55.220880 where: bonds (distance) C4'-P energy: -10.312 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -12.134 flat angles P-C4'-P energy: -4.289 tors. eta vs tors. theta energy: -14.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -74.429582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.429582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.429582 (E_RNA) where: Base-Base interactions energy: -23.316 where: short stacking energy: -12.414 Base-Backbone interact. energy: -0.008 local terms energy: -51.105131 where: bonds (distance) C4'-P energy: -10.875 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -8.402 tors. eta vs tors. theta energy: -5.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -66.305563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.305563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.305563 (E_RNA) where: Base-Base interactions energy: -37.689 where: short stacking energy: -11.797 Base-Backbone interact. energy: -1.760 local terms energy: -26.856595 where: bonds (distance) C4'-P energy: -9.652 bonds (distance) P-C4' energy: -10.825 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -1.387 tors. eta vs tors. theta energy: 2.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -70.521997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.521997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.521997 (E_RNA) where: Base-Base interactions energy: -32.638 where: short stacking energy: -29.344 Base-Backbone interact. energy: 0.552 local terms energy: -38.435110 where: bonds (distance) C4'-P energy: -7.715 bonds (distance) P-C4' energy: -12.011 flat angles C4'-P-C4' energy: -14.012 flat angles P-C4'-P energy: -1.888 tors. eta vs tors. theta energy: -2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -183.560366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.560366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.560366 (E_RNA) where: Base-Base interactions energy: -124.621 where: short stacking energy: -50.542 Base-Backbone interact. energy: -0.749 local terms energy: -58.190549 where: bonds (distance) C4'-P energy: -9.570 bonds (distance) P-C4' energy: -13.511 flat angles C4'-P-C4' energy: -13.496 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: -15.550 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: 2 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -188.499204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.499204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.499204 (E_RNA) where: Base-Base interactions energy: -121.547 where: short stacking energy: -52.161 Base-Backbone interact. energy: -0.078 local terms energy: -66.874268 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -14.042 flat angles C4'-P-C4' energy: -13.822 flat angles P-C4'-P energy: -8.847 tors. eta vs tors. theta energy: -17.156 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: 3, replica: 6 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -181.259687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.259687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.259687 (E_RNA) where: Base-Base interactions energy: -122.498 where: short stacking energy: -43.294 Base-Backbone interact. energy: -1.188 local terms energy: -57.573687 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -11.867 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -15.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -181.544070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.544070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.544070 (E_RNA) where: Base-Base interactions energy: -117.687 where: short stacking energy: -48.053 Base-Backbone interact. energy: -0.053 local terms energy: -63.803723 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -13.325 flat angles P-C4'-P energy: -10.832 tors. eta vs tors. theta energy: -15.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -177.046049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.046049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.046049 (E_RNA) where: Base-Base interactions energy: -121.255 where: short stacking energy: -50.175 Base-Backbone interact. energy: -0.097 local terms energy: -55.693202 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -10.452 flat angles C4'-P-C4' energy: -12.433 flat angles P-C4'-P energy: -9.106 tors. eta vs tors. theta energy: -12.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -171.920422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.920422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.920422 (E_RNA) where: Base-Base interactions energy: -119.380 where: short stacking energy: -45.474 Base-Backbone interact. energy: -0.200 local terms energy: -52.341331 where: bonds (distance) C4'-P energy: -13.202 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -10.644 flat angles P-C4'-P energy: -6.597 tors. eta vs tors. theta energy: -14.924 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: 4 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -166.761650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.761650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.761650 (E_RNA) where: Base-Base interactions energy: -112.543 where: short stacking energy: -42.664 Base-Backbone interact. energy: 2.256 local terms energy: -56.474563 where: bonds (distance) C4'-P energy: -13.871 bonds (distance) P-C4' energy: -12.834 flat angles C4'-P-C4' energy: -11.738 flat angles P-C4'-P energy: -9.388 tors. eta vs tors. theta energy: -8.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -73.694928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.694928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.694928 (E_RNA) where: Base-Base interactions energy: -29.980 where: short stacking energy: -29.980 Base-Backbone interact. energy: -0.107 local terms energy: -43.607819 where: bonds (distance) C4'-P energy: -8.596 bonds (distance) P-C4' energy: -11.091 flat angles C4'-P-C4' energy: -12.087 flat angles P-C4'-P energy: -8.759 tors. eta vs tors. theta energy: -3.075 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: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -61.256833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.256833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.256833 (E_RNA) where: Base-Base interactions energy: -23.270 where: short stacking energy: -11.007 Base-Backbone interact. energy: -0.215 local terms energy: -37.771904 where: bonds (distance) C4'-P energy: -10.716 bonds (distance) P-C4' energy: -13.763 flat angles C4'-P-C4' energy: -9.872 flat angles P-C4'-P energy: -3.454 tors. eta vs tors. theta energy: 0.033 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: 304 Temperature: 1.350000 Total energy: -63.205242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.205242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.205242 (E_RNA) where: Base-Base interactions energy: -29.954 where: short stacking energy: -21.324 Base-Backbone interact. energy: -0.108 local terms energy: -33.142720 where: bonds (distance) C4'-P energy: -9.799 bonds (distance) P-C4' energy: -11.603 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -0.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -191.067550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.067550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.067550 (E_RNA) where: Base-Base interactions energy: -128.392 where: short stacking energy: -57.786 Base-Backbone interact. energy: -0.103 local terms energy: -62.572368 where: bonds (distance) C4'-P energy: -12.183 bonds (distance) P-C4' energy: -14.513 flat angles C4'-P-C4' energy: -13.800 flat angles P-C4'-P energy: -7.194 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: 2, replica: 2 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -187.830917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.830917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.830917 (E_RNA) where: Base-Base interactions energy: -126.608 where: short stacking energy: -49.912 Base-Backbone interact. energy: -0.982 local terms energy: -60.240580 where: bonds (distance) C4'-P energy: -12.192 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -12.934 flat angles P-C4'-P energy: -9.019 tors. eta vs tors. theta energy: -11.424 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: 3, replica: 6 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -180.694206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.694206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.694206 (E_RNA) where: Base-Base interactions energy: -119.705 where: short stacking energy: -48.770 Base-Backbone interact. energy: -0.390 local terms energy: -60.599041 where: bonds (distance) C4'-P energy: -10.629 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -12.084 flat angles P-C4'-P energy: -8.260 tors. eta vs tors. theta energy: -16.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -177.141757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.141757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.141757 (E_RNA) where: Base-Base interactions energy: -116.945 where: short stacking energy: -47.603 Base-Backbone interact. energy: -0.243 local terms energy: -59.953638 where: bonds (distance) C4'-P energy: -11.259 bonds (distance) P-C4' energy: -13.588 flat angles C4'-P-C4' energy: -14.411 flat angles P-C4'-P energy: -8.386 tors. eta vs tors. theta energy: -12.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -170.255452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.255452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.255452 (E_RNA) where: Base-Base interactions energy: -115.294 where: short stacking energy: -46.368 Base-Backbone interact. energy: 0.165 local terms energy: -55.126826 where: bonds (distance) C4'-P energy: -13.131 bonds (distance) P-C4' energy: -10.277 flat angles C4'-P-C4' energy: -11.195 flat angles P-C4'-P energy: -5.551 tors. eta vs tors. theta energy: -14.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -171.908932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.908932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.908932 (E_RNA) where: Base-Base interactions energy: -119.653 where: short stacking energy: -49.030 Base-Backbone interact. energy: -0.051 local terms energy: -52.204893 where: bonds (distance) C4'-P energy: -12.622 bonds (distance) P-C4' energy: -10.783 flat angles C4'-P-C4' energy: -10.227 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -14.722 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: 3 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -164.149190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.149190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.149190 (E_RNA) where: Base-Base interactions energy: -99.411 where: short stacking energy: -42.331 Base-Backbone interact. energy: -2.101 local terms energy: -62.637696 where: bonds (distance) C4'-P energy: -12.192 bonds (distance) P-C4' energy: -16.053 flat angles C4'-P-C4' energy: -14.434 flat angles P-C4'-P energy: -7.719 tors. eta vs tors. theta energy: -12.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -80.296465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.296465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.296465 (E_RNA) where: Base-Base interactions energy: -36.222 where: short stacking energy: -28.907 Base-Backbone interact. energy: -0.021 local terms energy: -44.053475 where: bonds (distance) C4'-P energy: -12.990 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -10.795 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -3.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -68.956426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.956426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.956426 (E_RNA) where: Base-Base interactions energy: -29.308 where: short stacking energy: -29.308 Base-Backbone interact. energy: -0.361 local terms energy: -39.288016 where: bonds (distance) C4'-P energy: -8.514 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -11.822 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -6.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -74.175155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.175155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.175155 (E_RNA) where: Base-Base interactions energy: -25.977 where: short stacking energy: -20.352 Base-Backbone interact. energy: -0.215 local terms energy: -47.982882 where: bonds (distance) C4'-P energy: -13.408 bonds (distance) P-C4' energy: -14.220 flat angles C4'-P-C4' energy: -12.326 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -189.590493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.590493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.590493 (E_RNA) where: Base-Base interactions energy: -126.720 where: short stacking energy: -57.224 Base-Backbone interact. energy: -0.072 local terms energy: -62.798502 where: bonds (distance) C4'-P energy: -9.624 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -15.056 flat angles P-C4'-P energy: -8.213 tors. eta vs tors. theta energy: -15.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -184.369771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.369771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.369771 (E_RNA) where: Base-Base interactions energy: -126.651 where: short stacking energy: -54.190 Base-Backbone interact. energy: -0.002 local terms energy: -57.717113 where: bonds (distance) C4'-P energy: -7.592 bonds (distance) P-C4' energy: -11.697 flat angles C4'-P-C4' energy: -14.567 flat angles P-C4'-P energy: -9.403 tors. eta vs tors. theta energy: -14.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -185.628874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.628874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.628874 (E_RNA) where: Base-Base interactions energy: -122.551 where: short stacking energy: -46.184 Base-Backbone interact. energy: -0.235 local terms energy: -62.842311 where: bonds (distance) C4'-P energy: -13.134 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -11.039 flat angles P-C4'-P energy: -10.201 tors. eta vs tors. theta energy: -14.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -175.475750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.475750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.475750 (E_RNA) where: Base-Base interactions energy: -118.526 where: short stacking energy: -46.047 Base-Backbone interact. energy: -0.030 local terms energy: -56.920450 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -9.519 flat angles P-C4'-P energy: -7.968 tors. eta vs tors. theta energy: -13.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -173.642588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.642588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.642588 (E_RNA) where: Base-Base interactions energy: -119.170 where: short stacking energy: -42.525 Base-Backbone interact. energy: -0.610 local terms energy: -53.862547 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -10.644 flat angles P-C4'-P energy: -7.132 tors. eta vs tors. theta energy: -10.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -171.235361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.235361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.235361 (E_RNA) where: Base-Base interactions energy: -116.239 where: short stacking energy: -54.022 Base-Backbone interact. energy: -0.013 local terms energy: -54.984034 where: bonds (distance) C4'-P energy: -9.874 bonds (distance) P-C4' energy: -13.364 flat angles C4'-P-C4' energy: -10.302 flat angles P-C4'-P energy: -8.248 tors. eta vs tors. theta energy: -13.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -161.385951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.385951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.385951 (E_RNA) where: Base-Base interactions energy: -107.441 where: short stacking energy: -38.168 Base-Backbone interact. energy: -0.184 local terms energy: -53.760524 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -10.866 flat angles P-C4'-P energy: -5.951 tors. eta vs tors. theta energy: -11.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -83.257854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.257854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.257854 (E_RNA) where: Base-Base interactions energy: -41.552 where: short stacking energy: -25.978 Base-Backbone interact. energy: -0.779 local terms energy: -40.926218 where: bonds (distance) C4'-P energy: -5.700 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -14.030 flat angles P-C4'-P energy: -7.174 tors. eta vs tors. theta energy: -1.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -64.800839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.800839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.800839 (E_RNA) where: Base-Base interactions energy: -25.191 where: short stacking energy: -25.191 Base-Backbone interact. energy: 0.101 local terms energy: -39.710811 where: bonds (distance) C4'-P energy: -10.428 bonds (distance) P-C4' energy: -7.657 flat angles C4'-P-C4' energy: -11.295 flat angles P-C4'-P energy: -7.600 tors. eta vs tors. theta energy: -2.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -59.860454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.860454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.860454 (E_RNA) where: Base-Base interactions energy: -15.420 where: short stacking energy: -11.167 Base-Backbone interact. energy: -0.938 local terms energy: -43.502729 where: bonds (distance) C4'-P energy: -13.798 bonds (distance) P-C4' energy: -14.432 flat angles C4'-P-C4' energy: -7.177 flat angles P-C4'-P energy: -7.097 tors. eta vs tors. theta energy: -0.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -197.067837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.067837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.067837 (E_RNA) where: Base-Base interactions energy: -134.008 where: short stacking energy: -50.893 Base-Backbone interact. energy: -0.612 local terms energy: -62.447205 where: bonds (distance) C4'-P energy: -11.214 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -12.186 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -15.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -188.769503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.769503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.769503 (E_RNA) where: Base-Base interactions energy: -125.414 where: short stacking energy: -51.988 Base-Backbone interact. energy: -0.061 local terms energy: -63.295044 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -14.114 flat angles P-C4'-P energy: -8.393 tors. eta vs tors. theta energy: -15.355 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: 3, replica: 8 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -186.431339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.431339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.431339 (E_RNA) where: Base-Base interactions energy: -126.301 where: short stacking energy: -45.516 Base-Backbone interact. energy: -0.109 local terms energy: -60.020528 where: bonds (distance) C4'-P energy: -12.207 bonds (distance) P-C4' energy: -11.390 flat angles C4'-P-C4' energy: -12.775 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: -17.017 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: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -178.650764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.650764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.650764 (E_RNA) where: Base-Base interactions energy: -126.783 where: short stacking energy: -46.722 Base-Backbone interact. energy: 0.225 local terms energy: -52.092264 where: bonds (distance) C4'-P energy: -10.422 bonds (distance) P-C4' energy: -10.476 flat angles C4'-P-C4' energy: -6.982 flat angles P-C4'-P energy: -7.807 tors. eta vs tors. theta energy: -16.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -171.430866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.430866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.430866 (E_RNA) where: Base-Base interactions energy: -114.981 where: short stacking energy: -47.703 Base-Backbone interact. energy: -0.011 local terms energy: -56.439009 where: bonds (distance) C4'-P energy: -10.510 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -13.999 flat angles P-C4'-P energy: -10.927 tors. eta vs tors. theta energy: -13.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -175.490316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.490316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.490316 (E_RNA) where: Base-Base interactions energy: -121.474 where: short stacking energy: -50.876 Base-Backbone interact. energy: -0.053 local terms energy: -53.962822 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -10.930 flat angles C4'-P-C4' energy: -11.594 flat angles P-C4'-P energy: -9.035 tors. eta vs tors. theta energy: -13.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -174.181145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.181145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.181145 (E_RNA) where: Base-Base interactions energy: -120.156 where: short stacking energy: -47.144 Base-Backbone interact. energy: -1.057 local terms energy: -52.967833 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -11.144 flat angles C4'-P-C4' energy: -12.327 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -16.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -97.860503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.860503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.860503 (E_RNA) where: Base-Base interactions energy: -51.719 where: short stacking energy: -24.104 Base-Backbone interact. energy: 0.027 local terms energy: -46.169064 where: bonds (distance) C4'-P energy: -10.535 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -11.979 flat angles P-C4'-P energy: -7.910 tors. eta vs tors. theta energy: -0.676 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: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -65.182677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.182677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.182677 (E_RNA) where: Base-Base interactions energy: -28.527 where: short stacking energy: -28.527 Base-Backbone interact. energy: -0.159 local terms energy: -36.496730 where: bonds (distance) C4'-P energy: -10.133 bonds (distance) P-C4' energy: -7.325 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -8.181 tors. eta vs tors. theta energy: -3.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -65.178328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.178328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.178328 (E_RNA) where: Base-Base interactions energy: -16.625 where: short stacking energy: -8.730 Base-Backbone interact. energy: -0.198 local terms energy: -48.355214 where: bonds (distance) C4'-P energy: -11.524 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -11.288 flat angles P-C4'-P energy: -7.729 tors. eta vs tors. theta energy: -3.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -193.764264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.764264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.764264 (E_RNA) where: Base-Base interactions energy: -127.906 where: short stacking energy: -51.249 Base-Backbone interact. energy: -0.984 local terms energy: -64.874965 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -14.035 flat angles C4'-P-C4' energy: -12.080 flat angles P-C4'-P energy: -9.063 tors. eta vs tors. theta energy: -17.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -185.045375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.045375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.045375 (E_RNA) where: Base-Base interactions energy: -128.627 where: short stacking energy: -52.453 Base-Backbone interact. energy: -0.037 local terms energy: -56.380497 where: bonds (distance) C4'-P energy: -14.485 bonds (distance) P-C4' energy: -10.779 flat angles C4'-P-C4' energy: -15.421 flat angles P-C4'-P energy: -1.691 tors. eta vs tors. theta energy: -14.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -191.836916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.836916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.836916 (E_RNA) where: Base-Base interactions energy: -132.984 where: short stacking energy: -52.101 Base-Backbone interact. energy: -0.051 local terms energy: -58.801991 where: bonds (distance) C4'-P energy: -13.718 bonds (distance) P-C4' energy: -11.370 flat angles C4'-P-C4' energy: -13.290 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -16.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -186.931429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.931429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.931429 (E_RNA) where: Base-Base interactions energy: -122.639 where: short stacking energy: -51.415 Base-Backbone interact. energy: -0.001 local terms energy: -64.291698 where: bonds (distance) C4'-P energy: -10.698 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -13.701 flat angles P-C4'-P energy: -9.595 tors. eta vs tors. theta energy: -16.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -175.121416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.121416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.121416 (E_RNA) where: Base-Base interactions energy: -121.659 where: short stacking energy: -49.517 Base-Backbone interact. energy: -0.124 local terms energy: -53.337850 where: bonds (distance) C4'-P energy: -9.454 bonds (distance) P-C4' energy: -12.546 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -6.489 tors. eta vs tors. theta energy: -11.486 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: 6 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -179.346767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.346767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.346767 (E_RNA) where: Base-Base interactions energy: -114.581 where: short stacking energy: -48.393 Base-Backbone interact. energy: -0.028 local terms energy: -64.738125 where: bonds (distance) C4'-P energy: -13.706 bonds (distance) P-C4' energy: -12.208 flat angles C4'-P-C4' energy: -12.499 flat angles P-C4'-P energy: -9.697 tors. eta vs tors. theta energy: -16.627 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: 9 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -173.687185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.687185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.687185 (E_RNA) where: Base-Base interactions energy: -121.379 where: short stacking energy: -53.736 Base-Backbone interact. energy: -1.022 local terms energy: -51.286875 where: bonds (distance) C4'-P energy: -10.440 bonds (distance) P-C4' energy: -11.535 flat angles C4'-P-C4' energy: -10.555 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -13.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -67.742145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.742145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.742145 (E_RNA) where: Base-Base interactions energy: -24.627 where: short stacking energy: -24.627 Base-Backbone interact. energy: -0.064 local terms energy: -43.050902 where: bonds (distance) C4'-P energy: -11.769 bonds (distance) P-C4' energy: -11.384 flat angles C4'-P-C4' energy: -8.285 flat angles P-C4'-P energy: -6.698 tors. eta vs tors. theta energy: -4.916 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: 1 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -70.369510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.369510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.369510 (E_RNA) where: Base-Base interactions energy: -38.789 where: short stacking energy: -20.394 Base-Backbone interact. energy: -0.221 local terms energy: -31.360208 where: bonds (distance) C4'-P energy: -11.302 bonds (distance) P-C4' energy: -13.172 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -1.138 tors. eta vs tors. theta energy: 1.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -60.214568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.214568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.214568 (E_RNA) where: Base-Base interactions energy: -14.098 where: short stacking energy: -13.799 Base-Backbone interact. energy: -0.004 local terms energy: -46.113498 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -14.425 flat angles C4'-P-C4' energy: -11.644 flat angles P-C4'-P energy: -6.433 tors. eta vs tors. theta energy: -0.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -191.439382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.439382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.439382 (E_RNA) where: Base-Base interactions energy: -128.619 where: short stacking energy: -57.110 Base-Backbone interact. energy: -0.006 local terms energy: -62.814379 where: bonds (distance) C4'-P energy: -13.171 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -12.903 flat angles P-C4'-P energy: -10.404 tors. eta vs tors. theta energy: -13.959 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: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -189.388039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.388039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.388039 (E_RNA) where: Base-Base interactions energy: -125.791 where: short stacking energy: -54.124 Base-Backbone interact. energy: -0.000 local terms energy: -63.597290 where: bonds (distance) C4'-P energy: -13.060 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -12.659 flat angles P-C4'-P energy: -8.726 tors. eta vs tors. theta energy: -16.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -184.170171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.170171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.170171 (E_RNA) where: Base-Base interactions energy: -121.510 where: short stacking energy: -49.670 Base-Backbone interact. energy: -0.105 local terms energy: -62.555072 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -12.112 flat angles C4'-P-C4' energy: -13.310 flat angles P-C4'-P energy: -6.630 tors. eta vs tors. theta energy: -17.654 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: 4, replica: 3 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -173.329156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.329156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.329156 (E_RNA) where: Base-Base interactions energy: -114.902 where: short stacking energy: -45.582 Base-Backbone interact. energy: -0.676 local terms energy: -57.751164 where: bonds (distance) C4'-P energy: -11.363 bonds (distance) P-C4' energy: -13.124 flat angles C4'-P-C4' energy: -13.979 flat angles P-C4'-P energy: -6.286 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: 5, replica: 8 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -174.751614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.751614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.751614 (E_RNA) where: Base-Base interactions energy: -129.190 where: short stacking energy: -45.750 Base-Backbone interact. energy: -0.418 local terms energy: -45.143448 where: bonds (distance) C4'-P energy: -9.563 bonds (distance) P-C4' energy: -8.290 flat angles C4'-P-C4' energy: -10.234 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -13.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -172.038688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.038688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.038688 (E_RNA) where: Base-Base interactions energy: -121.034 where: short stacking energy: -43.980 Base-Backbone interact. energy: -0.020 local terms energy: -50.985079 where: bonds (distance) C4'-P energy: -9.665 bonds (distance) P-C4' energy: -9.136 flat angles C4'-P-C4' energy: -9.772 flat angles P-C4'-P energy: -8.953 tors. eta vs tors. theta energy: -13.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -174.657699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.657699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.657699 (E_RNA) where: Base-Base interactions energy: -114.988 where: short stacking energy: -44.790 Base-Backbone interact. energy: -1.117 local terms energy: -58.552292 where: bonds (distance) C4'-P energy: -12.414 bonds (distance) P-C4' energy: -12.920 flat angles C4'-P-C4' energy: -12.351 flat angles P-C4'-P energy: -8.112 tors. eta vs tors. theta energy: -12.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -66.080850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.080850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.080850 (E_RNA) where: Base-Base interactions energy: -18.761 where: short stacking energy: -18.761 Base-Backbone interact. energy: -0.012 local terms energy: -47.308048 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -13.815 flat angles C4'-P-C4' energy: -11.090 flat angles P-C4'-P energy: -10.564 tors. eta vs tors. theta energy: 0.700 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: 1 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -162.713891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.713891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.713891 (E_RNA) where: Base-Base interactions energy: -109.527 where: short stacking energy: -41.156 Base-Backbone interact. energy: -0.006 local terms energy: -53.181840 where: bonds (distance) C4'-P energy: -11.702 bonds (distance) P-C4' energy: -8.977 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -7.433 tors. eta vs tors. theta energy: -11.792 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: 309 Temperature: 1.350000 Total energy: -67.424169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.424169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.424169 (E_RNA) where: Base-Base interactions energy: -29.405 where: short stacking energy: -22.196 Base-Backbone interact. energy: 0.480 local terms energy: -38.499871 where: bonds (distance) C4'-P energy: -7.177 bonds (distance) P-C4' energy: -12.255 flat angles C4'-P-C4' energy: -10.193 flat angles P-C4'-P energy: -7.292 tors. eta vs tors. theta energy: -1.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -190.947775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.947775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.947775 (E_RNA) where: Base-Base interactions energy: -129.500 where: short stacking energy: -47.985 Base-Backbone interact. energy: -0.653 local terms energy: -60.794950 where: bonds (distance) C4'-P energy: -12.733 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -11.047 flat angles P-C4'-P energy: -8.261 tors. eta vs tors. theta energy: -14.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -187.115063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.115063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.115063 (E_RNA) where: Base-Base interactions energy: -126.884 where: short stacking energy: -56.526 Base-Backbone interact. energy: -0.454 local terms energy: -59.777088 where: bonds (distance) C4'-P energy: -11.057 bonds (distance) P-C4' energy: -11.246 flat angles C4'-P-C4' energy: -13.582 flat angles P-C4'-P energy: -7.664 tors. eta vs tors. theta energy: -16.228 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: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -180.806290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.806290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.806290 (E_RNA) where: Base-Base interactions energy: -126.356 where: short stacking energy: -45.873 Base-Backbone interact. energy: -0.002 local terms energy: -54.448526 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -11.070 flat angles C4'-P-C4' energy: -11.435 flat angles P-C4'-P energy: -7.443 tors. eta vs tors. theta energy: -12.963 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: 3 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -177.252324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.252324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.252324 (E_RNA) where: Base-Base interactions energy: -120.864 where: short stacking energy: -48.400 Base-Backbone interact. energy: -0.003 local terms energy: -56.384877 where: bonds (distance) C4'-P energy: -9.856 bonds (distance) P-C4' energy: -12.070 flat angles C4'-P-C4' energy: -13.318 flat angles P-C4'-P energy: -6.153 tors. eta vs tors. theta energy: -14.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -171.695600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.695600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.695600 (E_RNA) where: Base-Base interactions energy: -116.353 where: short stacking energy: -47.670 Base-Backbone interact. energy: -0.002 local terms energy: -55.340389 where: bonds (distance) C4'-P energy: -10.498 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -11.239 flat angles P-C4'-P energy: -6.498 tors. eta vs tors. theta energy: -13.530 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: 8 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -180.285494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.285494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.285494 (E_RNA) where: Base-Base interactions energy: -123.491 where: short stacking energy: -50.114 Base-Backbone interact. energy: 2.132 local terms energy: -58.926466 where: bonds (distance) C4'-P energy: -13.558 bonds (distance) P-C4' energy: -11.351 flat angles C4'-P-C4' energy: -12.205 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: -16.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -173.128869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.128869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.128869 (E_RNA) where: Base-Base interactions energy: -114.833 where: short stacking energy: -44.945 Base-Backbone interact. energy: -0.046 local terms energy: -58.249783 where: bonds (distance) C4'-P energy: -10.708 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -12.031 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -16.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -69.633667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.633667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.633667 (E_RNA) where: Base-Base interactions energy: -33.282 where: short stacking energy: -24.468 Base-Backbone interact. energy: 0.407 local terms energy: -36.758922 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -10.986 flat angles P-C4'-P energy: -6.358 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: 9, replica: 1 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -155.198184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.198184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.198184 (E_RNA) where: Base-Base interactions energy: -106.943 where: short stacking energy: -40.061 Base-Backbone interact. energy: -0.224 local terms energy: -48.031360 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -10.232 flat angles C4'-P-C4' energy: -13.106 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -12.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -71.406534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.406534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.406534 (E_RNA) where: Base-Base interactions energy: -31.541 where: short stacking energy: -13.360 Base-Backbone interact. energy: -0.926 local terms energy: -38.939656 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -11.680 flat angles C4'-P-C4' energy: -10.096 flat angles P-C4'-P energy: -6.120 tors. eta vs tors. theta energy: 2.303 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: 1, replica: 5 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -191.169513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.169513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.169513 (E_RNA) where: Base-Base interactions energy: -134.553 where: short stacking energy: -48.542 Base-Backbone interact. energy: -0.523 local terms energy: -56.093333 where: bonds (distance) C4'-P energy: -13.495 bonds (distance) P-C4' energy: -9.482 flat angles C4'-P-C4' energy: -10.964 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: -15.143 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: 2, replica: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -187.854885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.854885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.854885 (E_RNA) where: Base-Base interactions energy: -130.747 where: short stacking energy: -43.403 Base-Backbone interact. energy: -0.237 local terms energy: -56.870470 where: bonds (distance) C4'-P energy: -13.204 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -14.059 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -12.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -180.825061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.825061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.825061 (E_RNA) where: Base-Base interactions energy: -118.197 where: short stacking energy: -54.012 Base-Backbone interact. energy: -0.001 local terms energy: -62.627280 where: bonds (distance) C4'-P energy: -13.193 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -12.574 flat angles P-C4'-P energy: -9.208 tors. eta vs tors. theta energy: -15.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -183.454073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.454073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.454073 (E_RNA) where: Base-Base interactions energy: -125.811 where: short stacking energy: -52.154 Base-Backbone interact. energy: -0.451 local terms energy: -57.191793 where: bonds (distance) C4'-P energy: -12.112 bonds (distance) P-C4' energy: -8.928 flat angles C4'-P-C4' energy: -10.780 flat angles P-C4'-P energy: -8.328 tors. eta vs tors. theta energy: -17.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -176.657465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.657465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.657465 (E_RNA) where: Base-Base interactions energy: -117.392 where: short stacking energy: -50.536 Base-Backbone interact. energy: -0.001 local terms energy: -59.265189 where: bonds (distance) C4'-P energy: -11.155 bonds (distance) P-C4' energy: -11.221 flat angles C4'-P-C4' energy: -12.606 flat angles P-C4'-P energy: -8.136 tors. eta vs tors. theta energy: -16.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -173.317394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.317394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.317394 (E_RNA) where: Base-Base interactions energy: -120.292 where: short stacking energy: -49.413 Base-Backbone interact. energy: 0.677 local terms energy: -53.701940 where: bonds (distance) C4'-P energy: -10.584 bonds (distance) P-C4' energy: -12.237 flat angles C4'-P-C4' energy: -12.571 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -8.569 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: 7, replica: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -172.177047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.177047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.177047 (E_RNA) where: Base-Base interactions energy: -115.166 where: short stacking energy: -46.785 Base-Backbone interact. energy: -0.109 local terms energy: -56.902118 where: bonds (distance) C4'-P energy: -9.931 bonds (distance) P-C4' energy: -10.719 flat angles C4'-P-C4' energy: -15.198 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -14.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -174.952332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.952332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.952332 (E_RNA) where: Base-Base interactions energy: -121.627 where: short stacking energy: -48.429 Base-Backbone interact. energy: -0.817 local terms energy: -52.507964 where: bonds (distance) C4'-P energy: -12.041 bonds (distance) P-C4' energy: -8.859 flat angles C4'-P-C4' energy: -11.583 flat angles P-C4'-P energy: -5.184 tors. eta vs tors. theta energy: -14.840 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: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -65.159383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.159383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.159383 (E_RNA) where: Base-Base interactions energy: -22.732 where: short stacking energy: -21.508 Base-Backbone interact. energy: -0.037 local terms energy: -42.390111 where: bonds (distance) C4'-P energy: -11.091 bonds (distance) P-C4' energy: -12.673 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -6.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -64.911087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.911087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.911087 (E_RNA) where: Base-Base interactions energy: -26.287 where: short stacking energy: -13.816 Base-Backbone interact. energy: 0.504 local terms energy: -39.127483 where: bonds (distance) C4'-P energy: -13.114 bonds (distance) P-C4' energy: -12.727 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -7.080 tors. eta vs tors. theta energy: 1.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -201.348209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.348209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.348209 (E_RNA) where: Base-Base interactions energy: -134.679 where: short stacking energy: -47.152 Base-Backbone interact. energy: -0.109 local terms energy: -66.559774 where: bonds (distance) C4'-P energy: -13.338 bonds (distance) P-C4' energy: -14.146 flat angles C4'-P-C4' energy: -13.248 flat angles P-C4'-P energy: -9.107 tors. eta vs tors. theta energy: -16.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -193.135964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.135964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.135964 (E_RNA) where: Base-Base interactions energy: -134.366 where: short stacking energy: -53.826 Base-Backbone interact. energy: -0.006 local terms energy: -58.763684 where: bonds (distance) C4'-P energy: -11.567 bonds (distance) P-C4' energy: -13.387 flat angles C4'-P-C4' energy: -13.404 flat angles P-C4'-P energy: -4.183 tors. eta vs tors. theta energy: -16.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -179.386110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.386110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.386110 (E_RNA) where: Base-Base interactions energy: -121.404 where: short stacking energy: -49.148 Base-Backbone interact. energy: -0.001 local terms energy: -57.981570 where: bonds (distance) C4'-P energy: -13.122 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -9.442 flat angles P-C4'-P energy: -8.252 tors. eta vs tors. theta energy: -13.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -183.776679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.776679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.776679 (E_RNA) where: Base-Base interactions energy: -123.725 where: short stacking energy: -48.246 Base-Backbone interact. energy: -0.001 local terms energy: -60.051376 where: bonds (distance) C4'-P energy: -11.325 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -11.584 flat angles P-C4'-P energy: -9.027 tors. eta vs tors. theta energy: -13.269 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: 9 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -181.126312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.126312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.126312 (E_RNA) where: Base-Base interactions energy: -122.777 where: short stacking energy: -46.954 Base-Backbone interact. energy: -0.011 local terms energy: -58.338209 where: bonds (distance) C4'-P energy: -10.415 bonds (distance) P-C4' energy: -10.833 flat angles C4'-P-C4' energy: -13.798 flat angles P-C4'-P energy: -8.773 tors. eta vs tors. theta energy: -14.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -171.997782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.997782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.997782 (E_RNA) where: Base-Base interactions energy: -117.089 where: short stacking energy: -44.174 Base-Backbone interact. energy: -0.845 local terms energy: -54.063463 where: bonds (distance) C4'-P energy: -10.671 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -10.509 flat angles P-C4'-P energy: -8.580 tors. eta vs tors. theta energy: -12.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -175.734081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.734081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.734081 (E_RNA) where: Base-Base interactions energy: -119.355 where: short stacking energy: -45.963 Base-Backbone interact. energy: -0.002 local terms energy: -56.377230 where: bonds (distance) C4'-P energy: -10.460 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -10.486 flat angles P-C4'-P energy: -6.638 tors. eta vs tors. theta energy: -14.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -169.420168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.420168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.420168 (E_RNA) where: Base-Base interactions energy: -109.906 where: short stacking energy: -38.204 Base-Backbone interact. energy: -0.265 local terms energy: -59.248972 where: bonds (distance) C4'-P energy: -9.694 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -9.429 tors. eta vs tors. theta energy: -13.497 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: 9, replica: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -66.179366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.179366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.179366 (E_RNA) where: Base-Base interactions energy: -16.624 where: short stacking energy: -16.624 Base-Backbone interact. energy: -0.305 local terms energy: -49.250834 where: bonds (distance) C4'-P energy: -12.920 bonds (distance) P-C4' energy: -15.355 flat angles C4'-P-C4' energy: -10.091 flat angles P-C4'-P energy: -10.176 tors. eta vs tors. theta energy: -0.709 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: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -60.339858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.339858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.339858 (E_RNA) where: Base-Base interactions energy: -26.200 where: short stacking energy: -25.761 Base-Backbone interact. energy: 3.577 local terms energy: -37.716509 where: bonds (distance) C4'-P energy: -10.320 bonds (distance) P-C4' energy: -14.579 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -4.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -192.089088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.089088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.089088 (E_RNA) where: Base-Base interactions energy: -135.058 where: short stacking energy: -49.194 Base-Backbone interact. energy: -0.176 local terms energy: -56.855045 where: bonds (distance) C4'-P energy: -10.928 bonds (distance) P-C4' energy: -14.042 flat angles C4'-P-C4' energy: -13.935 flat angles P-C4'-P energy: -5.116 tors. eta vs tors. theta energy: -12.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -185.340341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.340341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.340341 (E_RNA) where: Base-Base interactions energy: -124.340 where: short stacking energy: -53.893 Base-Backbone interact. energy: -1.113 local terms energy: -59.887638 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -11.707 flat angles C4'-P-C4' energy: -11.971 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -17.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -184.486855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.486855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.486855 (E_RNA) where: Base-Base interactions energy: -126.168 where: short stacking energy: -51.195 Base-Backbone interact. energy: -0.742 local terms energy: -57.577195 where: bonds (distance) C4'-P energy: -12.572 bonds (distance) P-C4' energy: -12.085 flat angles C4'-P-C4' energy: -12.461 flat angles P-C4'-P energy: -5.416 tors. eta vs tors. theta energy: -15.042 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: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -177.169273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.169273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.169273 (E_RNA) where: Base-Base interactions energy: -122.105 where: short stacking energy: -46.450 Base-Backbone interact. energy: -0.359 local terms energy: -54.705656 where: bonds (distance) C4'-P energy: -8.631 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -10.009 flat angles P-C4'-P energy: -8.584 tors. eta vs tors. theta energy: -13.817 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: 4 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -178.845424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.845424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.845424 (E_RNA) where: Base-Base interactions energy: -122.657 where: short stacking energy: -47.929 Base-Backbone interact. energy: -0.144 local terms energy: -56.043989 where: bonds (distance) C4'-P energy: -10.539 bonds (distance) P-C4' energy: -12.249 flat angles C4'-P-C4' energy: -12.049 flat angles P-C4'-P energy: -5.997 tors. eta vs tors. theta energy: -15.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -168.986602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.986602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.986602 (E_RNA) where: Base-Base interactions energy: -109.687 where: short stacking energy: -45.054 Base-Backbone interact. energy: -0.002 local terms energy: -59.298106 where: bonds (distance) C4'-P energy: -12.108 bonds (distance) P-C4' energy: -12.101 flat angles C4'-P-C4' energy: -11.660 flat angles P-C4'-P energy: -8.685 tors. eta vs tors. theta energy: -14.744 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: 7, replica: 3 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -169.122822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.122822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.122822 (E_RNA) where: Base-Base interactions energy: -107.757 where: short stacking energy: -43.267 Base-Backbone interact. energy: -0.102 local terms energy: -61.263528 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -13.040 flat angles C4'-P-C4' energy: -11.226 flat angles P-C4'-P energy: -12.101 tors. eta vs tors. theta energy: -12.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -63.012858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.012858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.012858 (E_RNA) where: Base-Base interactions energy: -26.387 where: short stacking energy: -25.999 Base-Backbone interact. energy: 0.356 local terms energy: -36.981443 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -9.024 flat angles C4'-P-C4' energy: -10.459 flat angles P-C4'-P energy: -5.999 tors. eta vs tors. theta energy: -4.074 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: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -169.153161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.153161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.153161 (E_RNA) where: Base-Base interactions energy: -113.551 where: short stacking energy: -47.759 Base-Backbone interact. energy: -0.003 local terms energy: -55.598486 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -10.408 flat angles C4'-P-C4' energy: -11.334 flat angles P-C4'-P energy: -8.218 tors. eta vs tors. theta energy: -11.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -70.585569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.585569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.585569 (E_RNA) where: Base-Base interactions energy: -32.268 where: short stacking energy: -21.593 Base-Backbone interact. energy: 0.841 local terms energy: -39.158734 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -11.267 flat angles C4'-P-C4' energy: -9.003 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -2.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -194.005018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.005018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.005018 (E_RNA) where: Base-Base interactions energy: -133.587 where: short stacking energy: -58.228 Base-Backbone interact. energy: -0.077 local terms energy: -60.341469 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -9.515 flat angles P-C4'-P energy: -9.573 tors. eta vs tors. theta energy: -15.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -185.271830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.271830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.271830 (E_RNA) where: Base-Base interactions energy: -121.177 where: short stacking energy: -46.499 Base-Backbone interact. energy: -0.042 local terms energy: -64.052291 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -13.166 flat angles P-C4'-P energy: -9.615 tors. eta vs tors. theta energy: -15.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -186.068625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.068625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.068625 (E_RNA) where: Base-Base interactions energy: -125.961 where: short stacking energy: -52.582 Base-Backbone interact. energy: -0.618 local terms energy: -59.489699 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -11.897 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -16.140 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: 4, replica: 5 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -187.430455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.430455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.430455 (E_RNA) where: Base-Base interactions energy: -125.722 where: short stacking energy: -55.061 Base-Backbone interact. energy: -0.098 local terms energy: -61.610754 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -11.579 flat angles C4'-P-C4' energy: -15.529 flat angles P-C4'-P energy: -7.179 tors. eta vs tors. theta energy: -14.167 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: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -179.539061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.539061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.539061 (E_RNA) where: Base-Base interactions energy: -120.556 where: short stacking energy: -49.742 Base-Backbone interact. energy: -0.060 local terms energy: -58.923067 where: bonds (distance) C4'-P energy: -14.493 bonds (distance) P-C4' energy: -13.313 flat angles C4'-P-C4' energy: -11.690 flat angles P-C4'-P energy: -5.671 tors. eta vs tors. theta energy: -13.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -174.323546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.323546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.323546 (E_RNA) where: Base-Base interactions energy: -120.349 where: short stacking energy: -46.282 Base-Backbone interact. energy: -0.908 local terms energy: -53.066249 where: bonds (distance) C4'-P energy: -7.252 bonds (distance) P-C4' energy: -8.752 flat angles C4'-P-C4' energy: -12.700 flat angles P-C4'-P energy: -10.757 tors. eta vs tors. theta energy: -13.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -168.221512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.221512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.221512 (E_RNA) where: Base-Base interactions energy: -120.702 where: short stacking energy: -50.660 Base-Backbone interact. energy: -0.384 local terms energy: -47.135679 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -7.617 tors. eta vs tors. theta energy: -14.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -77.077141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.077141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.077141 (E_RNA) where: Base-Base interactions energy: -36.885 where: short stacking energy: -36.885 Base-Backbone interact. energy: -0.101 local terms energy: -40.090494 where: bonds (distance) C4'-P energy: -8.593 bonds (distance) P-C4' energy: -10.593 flat angles C4'-P-C4' energy: -8.735 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -7.075 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: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -154.672845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.672845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.672845 (E_RNA) where: Base-Base interactions energy: -110.483 where: short stacking energy: -39.814 Base-Backbone interact. energy: -0.173 local terms energy: -44.016836 where: bonds (distance) C4'-P energy: -12.403 bonds (distance) P-C4' energy: -11.337 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -10.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -70.688123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.688123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.688123 (E_RNA) where: Base-Base interactions energy: -28.927 where: short stacking energy: -20.437 Base-Backbone interact. energy: 0.863 local terms energy: -42.624756 where: bonds (distance) C4'-P energy: -8.746 bonds (distance) P-C4' energy: -12.260 flat angles C4'-P-C4' energy: -12.918 flat angles P-C4'-P energy: -8.344 tors. eta vs tors. theta energy: -0.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -191.281962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.281962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.281962 (E_RNA) where: Base-Base interactions energy: -131.107 where: short stacking energy: -49.704 Base-Backbone interact. energy: -0.005 local terms energy: -60.170257 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -15.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -189.763781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.763781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.763781 (E_RNA) where: Base-Base interactions energy: -132.982 where: short stacking energy: -50.573 Base-Backbone interact. energy: -0.247 local terms energy: -56.534432 where: bonds (distance) C4'-P energy: -12.941 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -8.877 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -15.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -181.360532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.360532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.360532 (E_RNA) where: Base-Base interactions energy: -118.720 where: short stacking energy: -50.716 Base-Backbone interact. energy: -0.016 local terms energy: -62.624826 where: bonds (distance) C4'-P energy: -12.377 bonds (distance) P-C4' energy: -15.140 flat angles C4'-P-C4' energy: -14.314 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -16.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -178.630177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.630177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.630177 (E_RNA) where: Base-Base interactions energy: -123.032 where: short stacking energy: -48.921 Base-Backbone interact. energy: -0.032 local terms energy: -55.566780 where: bonds (distance) C4'-P energy: -11.474 bonds (distance) P-C4' energy: -11.799 flat angles C4'-P-C4' energy: -13.103 flat angles P-C4'-P energy: -5.898 tors. eta vs tors. theta energy: -13.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -176.926794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.926794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.926794 (E_RNA) where: Base-Base interactions energy: -116.645 where: short stacking energy: -43.760 Base-Backbone interact. energy: 0.808 local terms energy: -61.089904 where: bonds (distance) C4'-P energy: -8.489 bonds (distance) P-C4' energy: -14.787 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -10.168 tors. eta vs tors. theta energy: -13.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -180.777313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.777313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.777313 (E_RNA) where: Base-Base interactions energy: -120.328 where: short stacking energy: -43.224 Base-Backbone interact. energy: -1.239 local terms energy: -59.210173 where: bonds (distance) C4'-P energy: -11.466 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -13.783 flat angles P-C4'-P energy: -7.299 tors. eta vs tors. theta energy: -13.136 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: 8 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -172.482064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.482064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.482064 (E_RNA) where: Base-Base interactions energy: -112.032 where: short stacking energy: -39.071 Base-Backbone interact. energy: -0.038 local terms energy: -60.411659 where: bonds (distance) C4'-P energy: -13.720 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -10.405 flat angles P-C4'-P energy: -8.035 tors. eta vs tors. theta energy: -13.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -158.064434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.064434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.064434 (E_RNA) where: Base-Base interactions energy: -105.866 where: short stacking energy: -44.375 Base-Backbone interact. energy: -0.005 local terms energy: -52.193821 where: bonds (distance) C4'-P energy: -8.403 bonds (distance) P-C4' energy: -12.623 flat angles C4'-P-C4' energy: -11.727 flat angles P-C4'-P energy: -9.272 tors. eta vs tors. theta energy: -10.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -81.672332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.672332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.672332 (E_RNA) where: Base-Base interactions energy: -35.899 where: short stacking energy: -26.267 Base-Backbone interact. energy: -0.438 local terms energy: -45.335848 where: bonds (distance) C4'-P energy: -10.382 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -10.109 flat angles P-C4'-P energy: -4.874 tors. eta vs tors. theta energy: -4.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -65.224542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.224542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.224542 (E_RNA) where: Base-Base interactions energy: -23.825 where: short stacking energy: -21.766 Base-Backbone interact. energy: -1.152 local terms energy: -40.247389 where: bonds (distance) C4'-P energy: -10.175 bonds (distance) P-C4' energy: -10.344 flat angles C4'-P-C4' energy: -15.086 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -198.368301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.368301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.368301 (E_RNA) where: Base-Base interactions energy: -138.903 where: short stacking energy: -46.685 Base-Backbone interact. energy: -0.198 local terms energy: -59.267624 where: bonds (distance) C4'-P energy: -11.119 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -14.570 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -15.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -188.916689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.916689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.916689 (E_RNA) where: Base-Base interactions energy: -126.403 where: short stacking energy: -52.613 Base-Backbone interact. energy: -0.091 local terms energy: -62.423210 where: bonds (distance) C4'-P energy: -14.414 bonds (distance) P-C4' energy: -13.125 flat angles C4'-P-C4' energy: -14.062 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -14.991 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: 5 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -184.608680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.608680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.608680 (E_RNA) where: Base-Base interactions energy: -126.801 where: short stacking energy: -48.426 Base-Backbone interact. energy: -0.444 local terms energy: -57.363439 where: bonds (distance) C4'-P energy: -14.297 bonds (distance) P-C4' energy: -9.640 flat angles C4'-P-C4' energy: -9.266 flat angles P-C4'-P energy: -8.112 tors. eta vs tors. theta energy: -16.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -180.516894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.516894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.516894 (E_RNA) where: Base-Base interactions energy: -120.538 where: short stacking energy: -41.984 Base-Backbone interact. energy: -1.445 local terms energy: -58.533960 where: bonds (distance) C4'-P energy: -12.241 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -11.493 flat angles P-C4'-P energy: -8.740 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: 5, replica: 3 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -173.356353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.356353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.356353 (E_RNA) where: Base-Base interactions energy: -110.245 where: short stacking energy: -43.649 Base-Backbone interact. energy: -0.100 local terms energy: -63.011153 where: bonds (distance) C4'-P energy: -13.789 bonds (distance) P-C4' energy: -12.656 flat angles C4'-P-C4' energy: -14.949 flat angles P-C4'-P energy: -7.609 tors. eta vs tors. theta energy: -14.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -176.808747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.808747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.808747 (E_RNA) where: Base-Base interactions energy: -119.054 where: short stacking energy: -40.890 Base-Backbone interact. energy: -0.318 local terms energy: -57.436674 where: bonds (distance) C4'-P energy: -11.164 bonds (distance) P-C4' energy: -12.792 flat angles C4'-P-C4' energy: -11.919 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -15.640 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: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -159.563331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.563331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.563331 (E_RNA) where: Base-Base interactions energy: -106.674 where: short stacking energy: -44.200 Base-Backbone interact. energy: -0.048 local terms energy: -52.840782 where: bonds (distance) C4'-P energy: -11.437 bonds (distance) P-C4' energy: -11.551 flat angles C4'-P-C4' energy: -11.942 flat angles P-C4'-P energy: -8.104 tors. eta vs tors. theta energy: -9.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -168.924341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.924341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.924341 (E_RNA) where: Base-Base interactions energy: -114.674 where: short stacking energy: -45.477 Base-Backbone interact. energy: -0.060 local terms energy: -54.190045 where: bonds (distance) C4'-P energy: -9.132 bonds (distance) P-C4' energy: -11.392 flat angles C4'-P-C4' energy: -12.396 flat angles P-C4'-P energy: -7.053 tors. eta vs tors. theta energy: -14.217 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: 9, replica: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -70.918500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.918500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.918500 (E_RNA) where: Base-Base interactions energy: -24.281 where: short stacking energy: -24.035 Base-Backbone interact. energy: -0.078 local terms energy: -46.559297 where: bonds (distance) C4'-P energy: -9.566 bonds (distance) P-C4' energy: -12.041 flat angles C4'-P-C4' energy: -13.860 flat angles P-C4'-P energy: -7.584 tors. eta vs tors. theta energy: -3.509 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: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -81.326917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.326917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.326917 (E_RNA) where: Base-Base interactions energy: -45.831 where: short stacking energy: -25.548 Base-Backbone interact. energy: 0.543 local terms energy: -36.038364 where: bonds (distance) C4'-P energy: -5.294 bonds (distance) P-C4' energy: -10.384 flat angles C4'-P-C4' energy: -9.199 flat angles P-C4'-P energy: -7.681 tors. eta vs tors. theta energy: -3.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -191.844549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.844549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.844549 (E_RNA) where: Base-Base interactions energy: -133.886 where: short stacking energy: -44.748 Base-Backbone interact. energy: -0.098 local terms energy: -57.860292 where: bonds (distance) C4'-P energy: -8.345 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -8.961 tors. eta vs tors. theta energy: -15.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -186.702148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.702148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.702148 (E_RNA) where: Base-Base interactions energy: -122.909 where: short stacking energy: -51.025 Base-Backbone interact. energy: -0.006 local terms energy: -63.787779 where: bonds (distance) C4'-P energy: -12.751 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -12.371 flat angles P-C4'-P energy: -10.528 tors. eta vs tors. theta energy: -12.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -181.258684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.258684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.258684 (E_RNA) where: Base-Base interactions energy: -121.760 where: short stacking energy: -51.371 Base-Backbone interact. energy: -0.002 local terms energy: -59.496662 where: bonds (distance) C4'-P energy: -13.268 bonds (distance) P-C4' energy: -11.420 flat angles C4'-P-C4' energy: -12.038 flat angles P-C4'-P energy: -7.083 tors. eta vs tors. theta energy: -15.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -186.393155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.393155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.393155 (E_RNA) where: Base-Base interactions energy: -127.399 where: short stacking energy: -47.435 Base-Backbone interact. energy: -0.015 local terms energy: -58.979614 where: bonds (distance) C4'-P energy: -13.072 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -10.594 flat angles P-C4'-P energy: -7.883 tors. eta vs tors. theta energy: -12.992 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: 5, replica: 2 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -176.501030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.501030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.501030 (E_RNA) where: Base-Base interactions energy: -122.761 where: short stacking energy: -55.329 Base-Backbone interact. energy: -0.004 local terms energy: -53.735902 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -11.616 flat angles C4'-P-C4' energy: -12.222 flat angles P-C4'-P energy: -6.537 tors. eta vs tors. theta energy: -10.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -174.945815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.945815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.945815 (E_RNA) where: Base-Base interactions energy: -120.030 where: short stacking energy: -45.383 Base-Backbone interact. energy: -0.442 local terms energy: -54.473893 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -9.804 flat angles P-C4'-P energy: -7.612 tors. eta vs tors. theta energy: -14.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -166.865162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.865162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.865162 (E_RNA) where: Base-Base interactions energy: -124.144 where: short stacking energy: -49.040 Base-Backbone interact. energy: -0.002 local terms energy: -42.719315 where: bonds (distance) C4'-P energy: -9.483 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: 0.163 tors. eta vs tors. theta energy: -12.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -167.884831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.884831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.884831 (E_RNA) where: Base-Base interactions energy: -110.239 where: short stacking energy: -42.163 Base-Backbone interact. energy: -0.504 local terms energy: -57.141597 where: bonds (distance) C4'-P energy: -10.328 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -11.279 flat angles P-C4'-P energy: -9.686 tors. eta vs tors. theta energy: -12.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -67.267008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.267008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.267008 (E_RNA) where: Base-Base interactions energy: -26.964 where: short stacking energy: -7.333 Base-Backbone interact. energy: -0.091 local terms energy: -40.211856 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -16.063 flat angles C4'-P-C4' energy: -10.295 flat angles P-C4'-P energy: -5.432 tors. eta vs tors. theta energy: 5.110 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: 317 Temperature: 1.350000 Total energy: -68.868847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.868847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.868847 (E_RNA) where: Base-Base interactions energy: -28.642 where: short stacking energy: -20.062 Base-Backbone interact. energy: -0.212 local terms energy: -40.015048 where: bonds (distance) C4'-P energy: -9.533 bonds (distance) P-C4' energy: -14.689 flat angles C4'-P-C4' energy: -8.330 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -1.743 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: 9 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -195.072469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.072469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.072469 (E_RNA) where: Base-Base interactions energy: -131.655 where: short stacking energy: -51.988 Base-Backbone interact. energy: -0.000 local terms energy: -63.416671 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -12.310 flat angles C4'-P-C4' energy: -14.422 flat angles P-C4'-P energy: -6.997 tors. eta vs tors. theta energy: -16.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -188.827606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.827606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.827606 (E_RNA) where: Base-Base interactions energy: -129.605 where: short stacking energy: -48.864 Base-Backbone interact. energy: 1.011 local terms energy: -60.233836 where: bonds (distance) C4'-P energy: -14.658 bonds (distance) P-C4' energy: -13.373 flat angles C4'-P-C4' energy: -13.003 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -14.383 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: 318 Temperature: 1.000000 Total energy: -184.242872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.242872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.242872 (E_RNA) where: Base-Base interactions energy: -123.973 where: short stacking energy: -48.675 Base-Backbone interact. energy: -0.374 local terms energy: -59.895411 where: bonds (distance) C4'-P energy: -11.577 bonds (distance) P-C4' energy: -13.389 flat angles C4'-P-C4' energy: -11.133 flat angles P-C4'-P energy: -6.251 tors. eta vs tors. theta energy: -17.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -178.335349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.335349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.335349 (E_RNA) where: Base-Base interactions energy: -120.527 where: short stacking energy: -43.201 Base-Backbone interact. energy: 0.179 local terms energy: -57.987774 where: bonds (distance) C4'-P energy: -10.398 bonds (distance) P-C4' energy: -13.162 flat angles C4'-P-C4' energy: -13.236 flat angles P-C4'-P energy: -7.677 tors. eta vs tors. theta energy: -13.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -175.896124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.896124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.896124 (E_RNA) where: Base-Base interactions energy: -112.513 where: short stacking energy: -43.744 Base-Backbone interact. energy: -0.983 local terms energy: -62.399963 where: bonds (distance) C4'-P energy: -12.591 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -11.765 flat angles P-C4'-P energy: -8.665 tors. eta vs tors. theta energy: -17.003 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: 2 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -176.942863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.942863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.942863 (E_RNA) where: Base-Base interactions energy: -121.837 where: short stacking energy: -46.871 Base-Backbone interact. energy: -0.341 local terms energy: -54.765176 where: bonds (distance) C4'-P energy: -10.650 bonds (distance) P-C4' energy: -12.270 flat angles C4'-P-C4' energy: -11.159 flat angles P-C4'-P energy: -7.267 tors. eta vs tors. theta energy: -13.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -168.893412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.893412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.893412 (E_RNA) where: Base-Base interactions energy: -115.384 where: short stacking energy: -46.721 Base-Backbone interact. energy: -0.766 local terms energy: -52.743396 where: bonds (distance) C4'-P energy: -9.351 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -11.221 flat angles P-C4'-P energy: -6.042 tors. eta vs tors. theta energy: -11.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -170.017066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.017066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.017066 (E_RNA) where: Base-Base interactions energy: -115.557 where: short stacking energy: -53.593 Base-Backbone interact. energy: 0.289 local terms energy: -54.749058 where: bonds (distance) C4'-P energy: -8.818 bonds (distance) P-C4' energy: -12.923 flat angles C4'-P-C4' energy: -13.108 flat angles P-C4'-P energy: -6.167 tors. eta vs tors. theta energy: -13.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -78.893528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.893528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.893528 (E_RNA) where: Base-Base interactions energy: -26.462 where: short stacking energy: -26.462 Base-Backbone interact. energy: -0.000 local terms energy: -52.431268 where: bonds (distance) C4'-P energy: -10.635 bonds (distance) P-C4' energy: -11.739 flat angles C4'-P-C4' energy: -13.169 flat angles P-C4'-P energy: -7.661 tors. eta vs tors. theta energy: -9.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -60.840032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.840032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.840032 (E_RNA) where: Base-Base interactions energy: -31.732 where: short stacking energy: -14.647 Base-Backbone interact. energy: -0.474 local terms energy: -28.633779 where: bonds (distance) C4'-P energy: -9.900 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -1.877 flat angles P-C4'-P energy: -1.917 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -189.962071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.962071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.962071 (E_RNA) where: Base-Base interactions energy: -132.622 where: short stacking energy: -48.027 Base-Backbone interact. energy: -0.278 local terms energy: -57.061566 where: bonds (distance) C4'-P energy: -11.354 bonds (distance) P-C4' energy: -12.812 flat angles C4'-P-C4' energy: -12.792 flat angles P-C4'-P energy: -6.562 tors. eta vs tors. theta energy: -13.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -183.797775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.797775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.797775 (E_RNA) where: Base-Base interactions energy: -124.233 where: short stacking energy: -49.297 Base-Backbone interact. energy: -0.100 local terms energy: -59.464410 where: bonds (distance) C4'-P energy: -14.625 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -10.804 flat angles P-C4'-P energy: -10.739 tors. eta vs tors. theta energy: -10.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -181.457601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.457601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.457601 (E_RNA) where: Base-Base interactions energy: -122.612 where: short stacking energy: -42.168 Base-Backbone interact. energy: -0.095 local terms energy: -58.750888 where: bonds (distance) C4'-P energy: -12.058 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: -13.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -181.151785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.151785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.151785 (E_RNA) where: Base-Base interactions energy: -120.199 where: short stacking energy: -49.828 Base-Backbone interact. energy: -0.072 local terms energy: -60.881245 where: bonds (distance) C4'-P energy: -13.139 bonds (distance) P-C4' energy: -13.801 flat angles C4'-P-C4' energy: -12.203 flat angles P-C4'-P energy: -7.668 tors. eta vs tors. theta energy: -14.069 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: 319 Temperature: 1.100000 Total energy: -172.495676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.495676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.495676 (E_RNA) where: Base-Base interactions energy: -114.579 where: short stacking energy: -45.853 Base-Backbone interact. energy: -0.003 local terms energy: -57.913190 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -12.997 flat angles C4'-P-C4' energy: -14.012 flat angles P-C4'-P energy: -6.555 tors. eta vs tors. theta energy: -12.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -181.579911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.579911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.579911 (E_RNA) where: Base-Base interactions energy: -123.598 where: short stacking energy: -46.373 Base-Backbone interact. energy: -0.102 local terms energy: -57.880421 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -13.180 flat angles C4'-P-C4' energy: -11.980 flat angles P-C4'-P energy: -7.551 tors. eta vs tors. theta energy: -12.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -170.999831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.999831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.999831 (E_RNA) where: Base-Base interactions energy: -115.192 where: short stacking energy: -48.174 Base-Backbone interact. energy: -0.087 local terms energy: -55.720703 where: bonds (distance) C4'-P energy: -11.892 bonds (distance) P-C4' energy: -10.733 flat angles C4'-P-C4' energy: -12.660 flat angles P-C4'-P energy: -7.693 tors. eta vs tors. theta energy: -12.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -171.705382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.705382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.705382 (E_RNA) where: Base-Base interactions energy: -117.707 where: short stacking energy: -47.866 Base-Backbone interact. energy: -0.057 local terms energy: -53.940830 where: bonds (distance) C4'-P energy: -11.446 bonds (distance) P-C4' energy: -10.078 flat angles C4'-P-C4' energy: -11.670 flat angles P-C4'-P energy: -6.270 tors. eta vs tors. theta energy: -14.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -72.489153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.489153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.489153 (E_RNA) where: Base-Base interactions energy: -27.903 where: short stacking energy: -17.540 Base-Backbone interact. energy: -0.049 local terms energy: -44.537254 where: bonds (distance) C4'-P energy: -10.096 bonds (distance) P-C4' energy: -13.137 flat angles C4'-P-C4' energy: -10.191 flat angles P-C4'-P energy: -8.143 tors. eta vs tors. theta energy: -2.970 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: 10 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -60.913477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.913477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.913477 (E_RNA) where: Base-Base interactions energy: -20.420 where: short stacking energy: -20.420 Base-Backbone interact. energy: -0.066 local terms energy: -40.427603 where: bonds (distance) C4'-P energy: -9.624 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -5.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -181.140379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.140379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.140379 (E_RNA) where: Base-Base interactions energy: -120.063 where: short stacking energy: -44.190 Base-Backbone interact. energy: 0.277 local terms energy: -61.354294 where: bonds (distance) C4'-P energy: -10.436 bonds (distance) P-C4' energy: -14.928 flat angles C4'-P-C4' energy: -14.168 flat angles P-C4'-P energy: -9.660 tors. eta vs tors. theta energy: -12.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -189.274422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.274422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.274422 (E_RNA) where: Base-Base interactions energy: -122.965 where: short stacking energy: -48.156 Base-Backbone interact. energy: -0.004 local terms energy: -66.305509 where: bonds (distance) C4'-P energy: -13.268 bonds (distance) P-C4' energy: -11.662 flat angles C4'-P-C4' energy: -14.251 flat angles P-C4'-P energy: -9.671 tors. eta vs tors. theta energy: -17.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -183.690108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.690108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.690108 (E_RNA) where: Base-Base interactions energy: -128.235 where: short stacking energy: -48.653 Base-Backbone interact. energy: -0.007 local terms energy: -55.448418 where: bonds (distance) C4'-P energy: -11.765 bonds (distance) P-C4' energy: -12.444 flat angles C4'-P-C4' energy: -11.643 flat angles P-C4'-P energy: -6.253 tors. eta vs tors. theta energy: -13.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -180.199706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.199706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.199706 (E_RNA) where: Base-Base interactions energy: -122.551 where: short stacking energy: -53.060 Base-Backbone interact. energy: -0.002 local terms energy: -57.646138 where: bonds (distance) C4'-P energy: -11.926 bonds (distance) P-C4' energy: -10.483 flat angles C4'-P-C4' energy: -10.011 flat angles P-C4'-P energy: -10.343 tors. eta vs tors. theta energy: -14.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -175.983725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.983725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.983725 (E_RNA) where: Base-Base interactions energy: -120.024 where: short stacking energy: -48.052 Base-Backbone interact. energy: -0.041 local terms energy: -55.918677 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -10.490 flat angles C4'-P-C4' energy: -14.878 flat angles P-C4'-P energy: -7.762 tors. eta vs tors. theta energy: -15.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -165.681300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.681300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.681300 (E_RNA) where: Base-Base interactions energy: -107.373 where: short stacking energy: -44.481 Base-Backbone interact. energy: -0.007 local terms energy: -58.300980 where: bonds (distance) C4'-P energy: -12.766 bonds (distance) P-C4' energy: -13.380 flat angles C4'-P-C4' energy: -12.836 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: -14.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -172.200565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.200565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.200565 (E_RNA) where: Base-Base interactions energy: -114.016 where: short stacking energy: -54.140 Base-Backbone interact. energy: -0.094 local terms energy: -58.090443 where: bonds (distance) C4'-P energy: -13.171 bonds (distance) P-C4' energy: -12.032 flat angles C4'-P-C4' energy: -11.445 flat angles P-C4'-P energy: -5.540 tors. eta vs tors. theta energy: -15.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -166.532189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.532189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.532189 (E_RNA) where: Base-Base interactions energy: -110.883 where: short stacking energy: -44.000 Base-Backbone interact. energy: -0.001 local terms energy: -55.648672 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -11.501 flat angles C4'-P-C4' energy: -11.367 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -15.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -74.656400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.656400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.656400 (E_RNA) where: Base-Base interactions energy: -32.761 where: short stacking energy: -24.199 Base-Backbone interact. energy: -0.008 local terms energy: -41.887505 where: bonds (distance) C4'-P energy: -11.074 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -8.929 flat angles P-C4'-P energy: -9.139 tors. eta vs tors. theta energy: -3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -63.195485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.195485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.195485 (E_RNA) where: Base-Base interactions energy: -25.807 where: short stacking energy: -14.471 Base-Backbone interact. energy: -1.574 local terms energy: -35.814432 where: bonds (distance) C4'-P energy: -8.133 bonds (distance) P-C4' energy: -11.866 flat angles C4'-P-C4' energy: -12.016 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: 2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -186.558192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.558192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.558192 (E_RNA) where: Base-Base interactions energy: -126.761 where: short stacking energy: -51.571 Base-Backbone interact. energy: -0.648 local terms energy: -59.149418 where: bonds (distance) C4'-P energy: -14.270 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -14.387 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -9.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -184.587195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.587195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.587195 (E_RNA) where: Base-Base interactions energy: -122.629 where: short stacking energy: -47.057 Base-Backbone interact. energy: -0.209 local terms energy: -61.749002 where: bonds (distance) C4'-P energy: -12.894 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -9.990 flat angles P-C4'-P energy: -7.964 tors. eta vs tors. theta energy: -17.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -181.730423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.730423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.730423 (E_RNA) where: Base-Base interactions energy: -132.031 where: short stacking energy: -54.416 Base-Backbone interact. energy: 0.668 local terms energy: -50.367011 where: bonds (distance) C4'-P energy: -10.366 bonds (distance) P-C4' energy: -9.255 flat angles C4'-P-C4' energy: -10.276 flat angles P-C4'-P energy: -9.860 tors. eta vs tors. theta energy: -10.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -180.107816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.107816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.107816 (E_RNA) where: Base-Base interactions energy: -125.030 where: short stacking energy: -48.357 Base-Backbone interact. energy: 0.565 local terms energy: -55.643031 where: bonds (distance) C4'-P energy: -11.934 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -12.060 flat angles P-C4'-P energy: -5.811 tors. eta vs tors. theta energy: -12.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -175.837784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.837784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.837784 (E_RNA) where: Base-Base interactions energy: -117.650 where: short stacking energy: -47.654 Base-Backbone interact. energy: -0.003 local terms energy: -58.185169 where: bonds (distance) C4'-P energy: -11.605 bonds (distance) P-C4' energy: -9.400 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -8.782 tors. eta vs tors. theta energy: -14.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -167.465461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.465461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.465461 (E_RNA) where: Base-Base interactions energy: -111.071 where: short stacking energy: -41.485 Base-Backbone interact. energy: -1.040 local terms energy: -55.354452 where: bonds (distance) C4'-P energy: -13.222 bonds (distance) P-C4' energy: -9.812 flat angles C4'-P-C4' energy: -12.954 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -10.984 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: 1 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -158.858201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.858201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.858201 (E_RNA) where: Base-Base interactions energy: -106.010 where: short stacking energy: -37.299 Base-Backbone interact. energy: -0.119 local terms energy: -52.729260 where: bonds (distance) C4'-P energy: -12.475 bonds (distance) P-C4' energy: -11.035 flat angles C4'-P-C4' energy: -12.687 flat angles P-C4'-P energy: -6.781 tors. eta vs tors. theta energy: -9.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -178.806777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.806777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.806777 (E_RNA) where: Base-Base interactions energy: -117.502 where: short stacking energy: -49.755 Base-Backbone interact. energy: -0.003 local terms energy: -61.301779 where: bonds (distance) C4'-P energy: -11.694 bonds (distance) P-C4' energy: -13.537 flat angles C4'-P-C4' energy: -11.040 flat angles P-C4'-P energy: -10.037 tors. eta vs tors. theta energy: -14.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -72.101642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.101642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.101642 (E_RNA) where: Base-Base interactions energy: -24.485 where: short stacking energy: -20.540 Base-Backbone interact. energy: -0.054 local terms energy: -47.563417 where: bonds (distance) C4'-P energy: -12.390 bonds (distance) P-C4' energy: -12.149 flat angles C4'-P-C4' energy: -11.164 flat angles P-C4'-P energy: -7.409 tors. eta vs tors. theta energy: -4.452 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: 321 Temperature: 1.350000 Total energy: -62.873249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.873249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.873249 (E_RNA) where: Base-Base interactions energy: -18.188 where: short stacking energy: -18.188 Base-Backbone interact. energy: -0.129 local terms energy: -44.556790 where: bonds (distance) C4'-P energy: -8.880 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -9.736 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -3.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -188.958880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.958880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.958880 (E_RNA) where: Base-Base interactions energy: -129.859 where: short stacking energy: -55.725 Base-Backbone interact. energy: -1.654 local terms energy: -57.446121 where: bonds (distance) C4'-P energy: -11.380 bonds (distance) P-C4' energy: -9.149 flat angles C4'-P-C4' energy: -14.974 flat angles P-C4'-P energy: -6.604 tors. eta vs tors. theta energy: -15.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -184.460026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.460026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.460026 (E_RNA) where: Base-Base interactions energy: -126.746 where: short stacking energy: -55.007 Base-Backbone interact. energy: 1.309 local terms energy: -59.023604 where: bonds (distance) C4'-P energy: -12.316 bonds (distance) P-C4' energy: -9.333 flat angles C4'-P-C4' energy: -14.620 flat angles P-C4'-P energy: -7.683 tors. eta vs tors. theta energy: -15.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -183.409877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.409877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.409877 (E_RNA) where: Base-Base interactions energy: -123.769 where: short stacking energy: -53.933 Base-Backbone interact. energy: -0.044 local terms energy: -59.597275 where: bonds (distance) C4'-P energy: -11.330 bonds (distance) P-C4' energy: -9.425 flat angles C4'-P-C4' energy: -12.285 flat angles P-C4'-P energy: -11.163 tors. eta vs tors. theta energy: -15.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -177.895412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.895412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.895412 (E_RNA) where: Base-Base interactions energy: -117.711 where: short stacking energy: -46.409 Base-Backbone interact. energy: -1.623 local terms energy: -58.560726 where: bonds (distance) C4'-P energy: -12.398 bonds (distance) P-C4' energy: -10.968 flat angles C4'-P-C4' energy: -13.540 flat angles P-C4'-P energy: -9.074 tors. eta vs tors. theta energy: -12.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -172.642652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.642652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.642652 (E_RNA) where: Base-Base interactions energy: -116.633 where: short stacking energy: -48.353 Base-Backbone interact. energy: -0.018 local terms energy: -55.991685 where: bonds (distance) C4'-P energy: -9.553 bonds (distance) P-C4' energy: -12.566 flat angles C4'-P-C4' energy: -11.733 flat angles P-C4'-P energy: -8.344 tors. eta vs tors. theta energy: -13.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -165.444866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.444866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.444866 (E_RNA) where: Base-Base interactions energy: -112.171 where: short stacking energy: -45.527 Base-Backbone interact. energy: -0.189 local terms energy: -53.084603 where: bonds (distance) C4'-P energy: -10.558 bonds (distance) P-C4' energy: -11.616 flat angles C4'-P-C4' energy: -12.688 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -11.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -167.195394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.195394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.195394 (E_RNA) where: Base-Base interactions energy: -117.543 where: short stacking energy: -45.086 Base-Backbone interact. energy: -0.206 local terms energy: -49.446762 where: bonds (distance) C4'-P energy: -10.096 bonds (distance) P-C4' energy: -14.097 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -11.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -162.308279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.308279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.308279 (E_RNA) where: Base-Base interactions energy: -110.636 where: short stacking energy: -37.081 Base-Backbone interact. energy: -0.014 local terms energy: -51.658637 where: bonds (distance) C4'-P energy: -8.709 bonds (distance) P-C4' energy: -11.221 flat angles C4'-P-C4' energy: -10.684 flat angles P-C4'-P energy: -7.820 tors. eta vs tors. theta energy: -13.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -66.669210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.669210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.669210 (E_RNA) where: Base-Base interactions energy: -27.627 where: short stacking energy: -21.966 Base-Backbone interact. energy: -0.004 local terms energy: -39.038345 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -11.528 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -9.863 tors. eta vs tors. theta energy: -1.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -60.564395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.564395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.564395 (E_RNA) where: Base-Base interactions energy: -20.147 where: short stacking energy: -16.209 Base-Backbone interact. energy: -0.147 local terms energy: -40.269811 where: bonds (distance) C4'-P energy: -10.192 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -13.484 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: -0.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -190.599546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.599546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.599546 (E_RNA) where: Base-Base interactions energy: -127.457 where: short stacking energy: -53.885 Base-Backbone interact. energy: -0.298 local terms energy: -62.844364 where: bonds (distance) C4'-P energy: -13.073 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -10.359 flat angles P-C4'-P energy: -7.709 tors. eta vs tors. theta energy: -16.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -188.334446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.334446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.334446 (E_RNA) where: Base-Base interactions energy: -129.113 where: short stacking energy: -46.211 Base-Backbone interact. energy: -0.392 local terms energy: -58.829599 where: bonds (distance) C4'-P energy: -10.686 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -12.814 flat angles P-C4'-P energy: -9.380 tors. eta vs tors. theta energy: -13.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -185.734894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.734894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.734894 (E_RNA) where: Base-Base interactions energy: -122.218 where: short stacking energy: -50.731 Base-Backbone interact. energy: -0.019 local terms energy: -63.497600 where: bonds (distance) C4'-P energy: -11.685 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -13.863 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -16.375 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: 323 Temperature: 1.050000 Total energy: -180.592680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.592680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.592680 (E_RNA) where: Base-Base interactions energy: -122.911 where: short stacking energy: -38.347 Base-Backbone interact. energy: -0.245 local terms energy: -57.437152 where: bonds (distance) C4'-P energy: -11.251 bonds (distance) P-C4' energy: -12.237 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -8.653 tors. eta vs tors. theta energy: -13.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -170.929278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.929278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.929278 (E_RNA) where: Base-Base interactions energy: -120.816 where: short stacking energy: -46.234 Base-Backbone interact. energy: -0.002 local terms energy: -50.111365 where: bonds (distance) C4'-P energy: -9.679 bonds (distance) P-C4' energy: -8.952 flat angles C4'-P-C4' energy: -10.480 flat angles P-C4'-P energy: -8.552 tors. eta vs tors. theta energy: -12.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -176.662622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.662622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.662622 (E_RNA) where: Base-Base interactions energy: -119.613 where: short stacking energy: -49.702 Base-Backbone interact. energy: -0.051 local terms energy: -56.998889 where: bonds (distance) C4'-P energy: -9.508 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -12.508 flat angles P-C4'-P energy: -6.332 tors. eta vs tors. theta energy: -14.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -167.757549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.757549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.757549 (E_RNA) where: Base-Base interactions energy: -110.604 where: short stacking energy: -42.051 Base-Backbone interact. energy: -0.005 local terms energy: -57.148435 where: bonds (distance) C4'-P energy: -10.709 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -11.977 flat angles P-C4'-P energy: -8.324 tors. eta vs tors. theta energy: -11.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -145.405378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.405378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.405378 (E_RNA) where: Base-Base interactions energy: -96.873 where: short stacking energy: -42.298 Base-Backbone interact. energy: -0.087 local terms energy: -48.445329 where: bonds (distance) C4'-P energy: -10.511 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -8.330 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -10.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -64.316047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.316047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.316047 (E_RNA) where: Base-Base interactions energy: -20.550 where: short stacking energy: -18.626 Base-Backbone interact. energy: -0.147 local terms energy: -43.618313 where: bonds (distance) C4'-P energy: -9.968 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -10.481 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: -4.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -62.089156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.089156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.089156 (E_RNA) where: Base-Base interactions energy: -19.554 where: short stacking energy: -19.427 Base-Backbone interact. energy: -0.016 local terms energy: -42.518422 where: bonds (distance) C4'-P energy: -10.336 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -9.864 flat angles P-C4'-P energy: -9.158 tors. eta vs tors. theta energy: 0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -186.357647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.357647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.357647 (E_RNA) where: Base-Base interactions energy: -129.264 where: short stacking energy: -49.755 Base-Backbone interact. energy: 0.101 local terms energy: -57.194502 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -12.643 flat angles C4'-P-C4' energy: -14.925 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -14.011 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: 4 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -184.646328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.646328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.646328 (E_RNA) where: Base-Base interactions energy: -127.543 where: short stacking energy: -51.878 Base-Backbone interact. energy: -0.013 local terms energy: -57.090537 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -11.705 flat angles C4'-P-C4' energy: -10.059 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: -16.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -184.393892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.393892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.393892 (E_RNA) where: Base-Base interactions energy: -118.684 where: short stacking energy: -45.366 Base-Backbone interact. energy: -0.818 local terms energy: -64.892251 where: bonds (distance) C4'-P energy: -12.575 bonds (distance) P-C4' energy: -12.052 flat angles C4'-P-C4' energy: -15.448 flat angles P-C4'-P energy: -12.479 tors. eta vs tors. theta energy: -12.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -180.592030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.592030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.592030 (E_RNA) where: Base-Base interactions energy: -117.021 where: short stacking energy: -49.249 Base-Backbone interact. energy: -0.656 local terms energy: -62.915016 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -12.032 flat angles C4'-P-C4' energy: -12.352 flat angles P-C4'-P energy: -9.631 tors. eta vs tors. theta energy: -15.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -176.900247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.900247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.900247 (E_RNA) where: Base-Base interactions energy: -120.126 where: short stacking energy: -47.166 Base-Backbone interact. energy: -0.087 local terms energy: -56.687469 where: bonds (distance) C4'-P energy: -12.262 bonds (distance) P-C4' energy: -8.613 flat angles C4'-P-C4' energy: -11.784 flat angles P-C4'-P energy: -7.690 tors. eta vs tors. theta energy: -16.338 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: 324 Temperature: 1.150000 Total energy: -176.600020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.600020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.600020 (E_RNA) where: Base-Base interactions energy: -122.840 where: short stacking energy: -52.207 Base-Backbone interact. energy: -0.582 local terms energy: -53.178173 where: bonds (distance) C4'-P energy: -8.973 bonds (distance) P-C4' energy: -9.048 flat angles C4'-P-C4' energy: -14.046 flat angles P-C4'-P energy: -6.306 tors. eta vs tors. theta energy: -14.805 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: 7, replica: 1 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -159.114628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.114628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.114628 (E_RNA) where: Base-Base interactions energy: -108.007 where: short stacking energy: -46.552 Base-Backbone interact. energy: -0.380 local terms energy: -50.727575 where: bonds (distance) C4'-P energy: -13.441 bonds (distance) P-C4' energy: -9.858 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -5.912 tors. eta vs tors. theta energy: -13.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -172.889381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.889381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.889381 (E_RNA) where: Base-Base interactions energy: -117.451 where: short stacking energy: -49.124 Base-Backbone interact. energy: -0.576 local terms energy: -54.862219 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -10.530 tors. eta vs tors. theta energy: -12.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -63.852467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.852467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.852467 (E_RNA) where: Base-Base interactions energy: -23.786 where: short stacking energy: -23.786 Base-Backbone interact. energy: -0.066 local terms energy: -39.999705 where: bonds (distance) C4'-P energy: -12.271 bonds (distance) P-C4' energy: -8.039 flat angles C4'-P-C4' energy: -11.537 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: -3.781 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: 324 Temperature: 1.350000 Total energy: -57.024322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.024322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.024322 (E_RNA) where: Base-Base interactions energy: -20.116 where: short stacking energy: -17.903 Base-Backbone interact. energy: -0.531 local terms energy: -36.377845 where: bonds (distance) C4'-P energy: -7.252 bonds (distance) P-C4' energy: -12.715 flat angles C4'-P-C4' energy: -10.181 flat angles P-C4'-P energy: -6.074 tors. eta vs tors. theta energy: -0.156 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: 8 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -190.653725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.653725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.653725 (E_RNA) where: Base-Base interactions energy: -131.542 where: short stacking energy: -51.863 Base-Backbone interact. energy: -0.001 local terms energy: -59.110763 where: bonds (distance) C4'-P energy: -13.474 bonds (distance) P-C4' energy: -13.047 flat angles C4'-P-C4' energy: -13.093 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -13.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -191.545467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.545467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.545467 (E_RNA) where: Base-Base interactions energy: -130.412 where: short stacking energy: -54.843 Base-Backbone interact. energy: -0.011 local terms energy: -61.122397 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -13.599 flat angles C4'-P-C4' energy: -10.845 flat angles P-C4'-P energy: -7.667 tors. eta vs tors. theta energy: -15.123 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: 4 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -180.405260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.405260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.405260 (E_RNA) where: Base-Base interactions energy: -121.645 where: short stacking energy: -45.763 Base-Backbone interact. energy: -1.311 local terms energy: -57.449213 where: bonds (distance) C4'-P energy: -8.374 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -13.048 flat angles P-C4'-P energy: -7.293 tors. eta vs tors. theta energy: -14.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -185.643939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.643939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.643939 (E_RNA) where: Base-Base interactions energy: -124.756 where: short stacking energy: -54.814 Base-Backbone interact. energy: 0.256 local terms energy: -61.144062 where: bonds (distance) C4'-P energy: -14.136 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -10.413 flat angles P-C4'-P energy: -10.727 tors. eta vs tors. theta energy: -12.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -173.001535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.001535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.001535 (E_RNA) where: Base-Base interactions energy: -115.252 where: short stacking energy: -43.980 Base-Backbone interact. energy: 0.059 local terms energy: -57.809144 where: bonds (distance) C4'-P energy: -13.201 bonds (distance) P-C4' energy: -10.799 flat angles C4'-P-C4' energy: -11.846 flat angles P-C4'-P energy: -8.942 tors. eta vs tors. theta energy: -13.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -169.941838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.941838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.941838 (E_RNA) where: Base-Base interactions energy: -119.146 where: short stacking energy: -44.759 Base-Backbone interact. energy: -0.027 local terms energy: -50.769033 where: bonds (distance) C4'-P energy: -8.168 bonds (distance) P-C4' energy: -12.843 flat angles C4'-P-C4' energy: -12.370 flat angles P-C4'-P energy: -1.713 tors. eta vs tors. theta energy: -15.675 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: 9 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -170.111606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.111606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.111606 (E_RNA) where: Base-Base interactions energy: -125.237 where: short stacking energy: -53.574 Base-Backbone interact. energy: -0.008 local terms energy: -44.866889 where: bonds (distance) C4'-P energy: -6.447 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -11.999 flat angles P-C4'-P energy: -2.970 tors. eta vs tors. theta energy: -14.336 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: 2 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -169.868263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.868263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.868263 (E_RNA) where: Base-Base interactions energy: -110.777 where: short stacking energy: -51.117 Base-Backbone interact. energy: -0.727 local terms energy: -58.364433 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -10.952 flat angles P-C4'-P energy: -7.083 tors. eta vs tors. theta energy: -13.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -67.973838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.973838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.973838 (E_RNA) where: Base-Base interactions energy: -24.712 where: short stacking energy: -23.287 Base-Backbone interact. energy: 0.104 local terms energy: -43.366342 where: bonds (distance) C4'-P energy: -8.858 bonds (distance) P-C4' energy: -13.091 flat angles C4'-P-C4' energy: -9.524 flat angles P-C4'-P energy: -7.450 tors. eta vs tors. theta energy: -4.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -66.770443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.770443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.770443 (E_RNA) where: Base-Base interactions energy: -27.805 where: short stacking energy: -11.998 Base-Backbone interact. energy: -0.164 local terms energy: -38.800992 where: bonds (distance) C4'-P energy: -11.942 bonds (distance) P-C4' energy: -9.943 flat angles C4'-P-C4' energy: -9.921 flat angles P-C4'-P energy: -2.343 tors. eta vs tors. theta energy: -4.651 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: 1, replica: 3 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -194.973728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.973728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.973728 (E_RNA) where: Base-Base interactions energy: -126.020 where: short stacking energy: -47.598 Base-Backbone interact. energy: -0.000 local terms energy: -68.953368 where: bonds (distance) C4'-P energy: -12.365 bonds (distance) P-C4' energy: -15.824 flat angles C4'-P-C4' energy: -14.889 flat angles P-C4'-P energy: -8.576 tors. eta vs tors. theta energy: -17.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -186.119037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.119037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.119037 (E_RNA) where: Base-Base interactions energy: -124.690 where: short stacking energy: -45.755 Base-Backbone interact. energy: -0.680 local terms energy: -60.749574 where: bonds (distance) C4'-P energy: -12.680 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -11.939 flat angles P-C4'-P energy: -6.111 tors. eta vs tors. theta energy: -14.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -184.702937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.702937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.702937 (E_RNA) where: Base-Base interactions energy: -123.748 where: short stacking energy: -48.606 Base-Backbone interact. energy: -0.018 local terms energy: -60.937431 where: bonds (distance) C4'-P energy: -13.181 bonds (distance) P-C4' energy: -11.076 flat angles C4'-P-C4' energy: -14.310 flat angles P-C4'-P energy: -8.644 tors. eta vs tors. theta energy: -13.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -183.239662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.239662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.239662 (E_RNA) where: Base-Base interactions energy: -122.482 where: short stacking energy: -51.297 Base-Backbone interact. energy: -0.001 local terms energy: -60.756569 where: bonds (distance) C4'-P energy: -14.526 bonds (distance) P-C4' energy: -10.920 flat angles C4'-P-C4' energy: -12.493 flat angles P-C4'-P energy: -7.295 tors. eta vs tors. theta energy: -15.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -177.604060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.604060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.604060 (E_RNA) where: Base-Base interactions energy: -115.777 where: short stacking energy: -48.762 Base-Backbone interact. energy: -0.000 local terms energy: -61.827061 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -11.325 flat angles C4'-P-C4' energy: -14.264 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -16.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -171.918579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.918579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.918579 (E_RNA) where: Base-Base interactions energy: -115.707 where: short stacking energy: -44.489 Base-Backbone interact. energy: -1.084 local terms energy: -55.127685 where: bonds (distance) C4'-P energy: -12.398 bonds (distance) P-C4' energy: -12.060 flat angles C4'-P-C4' energy: -6.665 flat angles P-C4'-P energy: -7.829 tors. eta vs tors. theta energy: -16.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -167.695644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.695644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.695644 (E_RNA) where: Base-Base interactions energy: -110.302 where: short stacking energy: -43.719 Base-Backbone interact. energy: -0.010 local terms energy: -57.382856 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -11.232 flat angles P-C4'-P energy: -5.243 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: 8, replica: 9 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -172.055559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.055559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.055559 (E_RNA) where: Base-Base interactions energy: -120.088 where: short stacking energy: -43.595 Base-Backbone interact. energy: -0.017 local terms energy: -51.950714 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -9.782 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -6.973 tors. eta vs tors. theta energy: -15.416 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: 7 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -66.660143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.660143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.660143 (E_RNA) where: Base-Base interactions energy: -20.634 where: short stacking energy: -20.634 Base-Backbone interact. energy: -0.160 local terms energy: -45.865937 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -9.016 flat angles P-C4'-P energy: -9.841 tors. eta vs tors. theta energy: -2.332 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: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -67.565537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.565537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.565537 (E_RNA) where: Base-Base interactions energy: -23.473 where: short stacking energy: -23.473 Base-Backbone interact. energy: -0.220 local terms energy: -43.872104 where: bonds (distance) C4'-P energy: -11.032 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -12.246 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -196.202617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.202617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.202617 (E_RNA) where: Base-Base interactions energy: -135.176 where: short stacking energy: -51.410 Base-Backbone interact. energy: -0.754 local terms energy: -60.272855 where: bonds (distance) C4'-P energy: -9.748 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -13.994 flat angles P-C4'-P energy: -10.389 tors. eta vs tors. theta energy: -11.982 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: 5 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -187.883542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.883542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.883542 (E_RNA) where: Base-Base interactions energy: -128.100 where: short stacking energy: -53.514 Base-Backbone interact. energy: -0.106 local terms energy: -59.677903 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -15.573 flat angles C4'-P-C4' energy: -12.582 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -14.089 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: 8 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -186.166415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.166415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.166415 (E_RNA) where: Base-Base interactions energy: -124.543 where: short stacking energy: -46.323 Base-Backbone interact. energy: -0.001 local terms energy: -61.622368 where: bonds (distance) C4'-P energy: -11.135 bonds (distance) P-C4' energy: -13.427 flat angles C4'-P-C4' energy: -10.985 flat angles P-C4'-P energy: -7.560 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: 4, replica: 4 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -179.155116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.155116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.155116 (E_RNA) where: Base-Base interactions energy: -125.222 where: short stacking energy: -51.013 Base-Backbone interact. energy: 0.246 local terms energy: -54.179671 where: bonds (distance) C4'-P energy: -10.071 bonds (distance) P-C4' energy: -11.690 flat angles C4'-P-C4' energy: -10.906 flat angles P-C4'-P energy: -8.437 tors. eta vs tors. theta energy: -13.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -172.875352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.875352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.875352 (E_RNA) where: Base-Base interactions energy: -111.471 where: short stacking energy: -46.796 Base-Backbone interact. energy: -0.020 local terms energy: -61.384157 where: bonds (distance) C4'-P energy: -11.747 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -12.933 flat angles P-C4'-P energy: -7.622 tors. eta vs tors. theta energy: -14.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -172.550297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.550297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.550297 (E_RNA) where: Base-Base interactions energy: -117.606 where: short stacking energy: -42.629 Base-Backbone interact. energy: -0.079 local terms energy: -54.864712 where: bonds (distance) C4'-P energy: -9.465 bonds (distance) P-C4' energy: -11.479 flat angles C4'-P-C4' energy: -9.215 flat angles P-C4'-P energy: -9.879 tors. eta vs tors. theta energy: -14.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -169.011212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.011212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.011212 (E_RNA) where: Base-Base interactions energy: -116.826 where: short stacking energy: -45.175 Base-Backbone interact. energy: -0.005 local terms energy: -52.180287 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -14.094 flat angles P-C4'-P energy: -7.454 tors. eta vs tors. theta energy: -10.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -166.749810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.749810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.749810 (E_RNA) where: Base-Base interactions energy: -112.962 where: short stacking energy: -48.544 Base-Backbone interact. energy: -0.071 local terms energy: -53.717061 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -14.340 flat angles C4'-P-C4' energy: -11.617 flat angles P-C4'-P energy: -5.654 tors. eta vs tors. theta energy: -16.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -61.375444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.375444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.375444 (E_RNA) where: Base-Base interactions energy: -19.573 where: short stacking energy: -19.548 Base-Backbone interact. energy: -0.029 local terms energy: -41.773239 where: bonds (distance) C4'-P energy: -12.982 bonds (distance) P-C4' energy: -15.368 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -6.374 tors. eta vs tors. theta energy: -1.146 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: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -63.950319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.950319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.950319 (E_RNA) where: Base-Base interactions energy: -22.012 where: short stacking energy: -16.921 Base-Backbone interact. energy: -0.214 local terms energy: -41.723808 where: bonds (distance) C4'-P energy: -11.213 bonds (distance) P-C4' energy: -10.355 flat angles C4'-P-C4' energy: -11.202 flat angles P-C4'-P energy: -4.949 tors. eta vs tors. theta energy: -4.005 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: 5 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -184.632210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.632210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.632210 (E_RNA) where: Base-Base interactions energy: -125.444 where: short stacking energy: -51.619 Base-Backbone interact. energy: -0.000 local terms energy: -59.187398 where: bonds (distance) C4'-P energy: -9.665 bonds (distance) P-C4' energy: -12.885 flat angles C4'-P-C4' energy: -11.079 flat angles P-C4'-P energy: -9.279 tors. eta vs tors. theta energy: -16.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -184.454157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.454157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.454157 (E_RNA) where: Base-Base interactions energy: -124.729 where: short stacking energy: -53.732 Base-Backbone interact. energy: -0.001 local terms energy: -59.724278 where: bonds (distance) C4'-P energy: -12.621 bonds (distance) P-C4' energy: -13.087 flat angles C4'-P-C4' energy: -12.634 flat angles P-C4'-P energy: -10.029 tors. eta vs tors. theta energy: -11.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -182.649989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.649989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.649989 (E_RNA) where: Base-Base interactions energy: -123.422 where: short stacking energy: -52.308 Base-Backbone interact. energy: 1.240 local terms energy: -60.467233 where: bonds (distance) C4'-P energy: -12.920 bonds (distance) P-C4' energy: -12.421 flat angles C4'-P-C4' energy: -13.806 flat angles P-C4'-P energy: -8.223 tors. eta vs tors. theta energy: -13.098 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: 8 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -178.313657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.313657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.313657 (E_RNA) where: Base-Base interactions energy: -117.627 where: short stacking energy: -46.561 Base-Backbone interact. energy: -0.241 local terms energy: -60.445497 where: bonds (distance) C4'-P energy: -13.690 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -15.164 flat angles P-C4'-P energy: -6.710 tors. eta vs tors. theta energy: -11.409 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: 6 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -178.233202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.233202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.233202 (E_RNA) where: Base-Base interactions energy: -122.467 where: short stacking energy: -47.765 Base-Backbone interact. energy: -0.198 local terms energy: -55.568746 where: bonds (distance) C4'-P energy: -10.395 bonds (distance) P-C4' energy: -10.421 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -6.578 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: 6, replica: 1 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -182.464549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.464549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.464549 (E_RNA) where: Base-Base interactions energy: -123.633 where: short stacking energy: -43.742 Base-Backbone interact. energy: -0.623 local terms energy: -58.209296 where: bonds (distance) C4'-P energy: -11.107 bonds (distance) P-C4' energy: -13.843 flat angles C4'-P-C4' energy: -12.638 flat angles P-C4'-P energy: -7.238 tors. eta vs tors. theta energy: -13.383 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: 7, replica: 9 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -167.287255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.287255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.287255 (E_RNA) where: Base-Base interactions energy: -117.726 where: short stacking energy: -41.285 Base-Backbone interact. energy: -0.067 local terms energy: -49.494417 where: bonds (distance) C4'-P energy: -11.590 bonds (distance) P-C4' energy: -5.508 flat angles C4'-P-C4' energy: -12.300 flat angles P-C4'-P energy: -10.060 tors. eta vs tors. theta energy: -10.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -160.902363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.902363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.902363 (E_RNA) where: Base-Base interactions energy: -116.274 where: short stacking energy: -40.357 Base-Backbone interact. energy: -0.074 local terms energy: -44.553831 where: bonds (distance) C4'-P energy: -10.985 bonds (distance) P-C4' energy: -10.620 flat angles C4'-P-C4' energy: -11.606 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: -7.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -67.664677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.664677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.664677 (E_RNA) where: Base-Base interactions energy: -27.697 where: short stacking energy: -25.755 Base-Backbone interact. energy: 0.456 local terms energy: -40.423999 where: bonds (distance) C4'-P energy: -11.222 bonds (distance) P-C4' energy: -11.673 flat angles C4'-P-C4' energy: -9.157 flat angles P-C4'-P energy: -9.560 tors. eta vs tors. theta energy: 1.188 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: 10, replica: 7 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -61.708796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.708796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.708796 (E_RNA) where: Base-Base interactions energy: -25.325 where: short stacking energy: -14.694 Base-Backbone interact. energy: 0.195 local terms energy: -36.579312 where: bonds (distance) C4'-P energy: -11.711 bonds (distance) P-C4' energy: -10.147 flat angles C4'-P-C4' energy: -9.800 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -1.182 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: 5 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -188.147421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.147421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.147421 (E_RNA) where: Base-Base interactions energy: -122.703 where: short stacking energy: -47.639 Base-Backbone interact. energy: -0.237 local terms energy: -65.207373 where: bonds (distance) C4'-P energy: -11.069 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -14.557 flat angles P-C4'-P energy: -10.077 tors. eta vs tors. theta energy: -15.700 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: 2, replica: 4 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -183.866897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.866897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.866897 (E_RNA) where: Base-Base interactions energy: -123.378 where: short stacking energy: -49.980 Base-Backbone interact. energy: -0.005 local terms energy: -60.484039 where: bonds (distance) C4'-P energy: -9.985 bonds (distance) P-C4' energy: -14.196 flat angles C4'-P-C4' energy: -13.042 flat angles P-C4'-P energy: -7.536 tors. eta vs tors. theta energy: -15.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -180.977895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.977895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.977895 (E_RNA) where: Base-Base interactions energy: -123.719 where: short stacking energy: -49.249 Base-Backbone interact. energy: -0.615 local terms energy: -56.644216 where: bonds (distance) C4'-P energy: -7.786 bonds (distance) P-C4' energy: -12.736 flat angles C4'-P-C4' energy: -12.126 flat angles P-C4'-P energy: -9.023 tors. eta vs tors. theta energy: -14.973 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: 329 Temperature: 1.050000 Total energy: -190.565633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.565633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.565633 (E_RNA) where: Base-Base interactions energy: -131.318 where: short stacking energy: -49.979 Base-Backbone interact. energy: -0.013 local terms energy: -59.233886 where: bonds (distance) C4'-P energy: -14.224 bonds (distance) P-C4' energy: -10.097 flat angles C4'-P-C4' energy: -12.393 flat angles P-C4'-P energy: -8.654 tors. eta vs tors. theta energy: -13.866 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: 8 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -173.074817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.074817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.074817 (E_RNA) where: Base-Base interactions energy: -127.432 where: short stacking energy: -51.606 Base-Backbone interact. energy: 0.579 local terms energy: -46.221558 where: bonds (distance) C4'-P energy: -5.774 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -6.256 tors. eta vs tors. theta energy: -13.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -174.878097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.878097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.878097 (E_RNA) where: Base-Base interactions energy: -123.442 where: short stacking energy: -48.677 Base-Backbone interact. energy: -0.076 local terms energy: -51.359479 where: bonds (distance) C4'-P energy: -10.653 bonds (distance) P-C4' energy: -9.761 flat angles C4'-P-C4' energy: -9.886 flat angles P-C4'-P energy: -6.572 tors. eta vs tors. theta energy: -14.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -180.766778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.766778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.766778 (E_RNA) where: Base-Base interactions energy: -128.533 where: short stacking energy: -56.080 Base-Backbone interact. energy: -0.006 local terms energy: -52.228036 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -8.192 flat angles C4'-P-C4' energy: -13.516 flat angles P-C4'-P energy: -10.726 tors. eta vs tors. theta energy: -15.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -168.596498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.596498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.596498 (E_RNA) where: Base-Base interactions energy: -114.801 where: short stacking energy: -44.477 Base-Backbone interact. energy: -0.668 local terms energy: -53.127559 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -12.842 flat angles P-C4'-P energy: -7.760 tors. eta vs tors. theta energy: -13.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -64.949089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.949089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.949089 (E_RNA) where: Base-Base interactions energy: -19.727 where: short stacking energy: -18.149 Base-Backbone interact. energy: -0.003 local terms energy: -45.219264 where: bonds (distance) C4'-P energy: -10.991 bonds (distance) P-C4' energy: -11.669 flat angles C4'-P-C4' energy: -10.322 flat angles P-C4'-P energy: -7.671 tors. eta vs tors. theta energy: -4.566 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: 329 Temperature: 1.350000 Total energy: -67.374894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.374894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.374894 (E_RNA) where: Base-Base interactions energy: -20.181 where: short stacking energy: -20.181 Base-Backbone interact. energy: 1.950 local terms energy: -49.144106 where: bonds (distance) C4'-P energy: -13.015 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -8.528 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -3.490 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: 5 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -188.048010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.048010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.048010 (E_RNA) where: Base-Base interactions energy: -129.617 where: short stacking energy: -51.592 Base-Backbone interact. energy: -0.656 local terms energy: -57.775059 where: bonds (distance) C4'-P energy: -13.230 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -11.129 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -15.042 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: 4 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -191.082844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.082844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.082844 (E_RNA) where: Base-Base interactions energy: -129.769 where: short stacking energy: -57.554 Base-Backbone interact. energy: 0.516 local terms energy: -61.829831 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -12.651 flat angles C4'-P-C4' energy: -14.985 flat angles P-C4'-P energy: -8.096 tors. eta vs tors. theta energy: -14.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -182.982637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.982637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.982637 (E_RNA) where: Base-Base interactions energy: -131.562 where: short stacking energy: -43.217 Base-Backbone interact. energy: -0.177 local terms energy: -51.243087 where: bonds (distance) C4'-P energy: -10.296 bonds (distance) P-C4' energy: -12.807 flat angles C4'-P-C4' energy: -11.086 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -12.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -189.484705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.484705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.484705 (E_RNA) where: Base-Base interactions energy: -127.061 where: short stacking energy: -52.894 Base-Backbone interact. energy: -0.001 local terms energy: -62.423102 where: bonds (distance) C4'-P energy: -11.588 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -13.563 flat angles P-C4'-P energy: -8.096 tors. eta vs tors. theta energy: -15.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -176.099747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.099747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.099747 (E_RNA) where: Base-Base interactions energy: -114.998 where: short stacking energy: -43.998 Base-Backbone interact. energy: -0.005 local terms energy: -61.097158 where: bonds (distance) C4'-P energy: -13.197 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -10.979 flat angles P-C4'-P energy: -6.546 tors. eta vs tors. theta energy: -15.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -173.379845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.379845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.379845 (E_RNA) where: Base-Base interactions energy: -117.615 where: short stacking energy: -43.946 Base-Backbone interact. energy: 0.306 local terms energy: -56.070728 where: bonds (distance) C4'-P energy: -12.327 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -10.397 flat angles P-C4'-P energy: -9.469 tors. eta vs tors. theta energy: -10.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -166.247490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.247490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.247490 (E_RNA) where: Base-Base interactions energy: -112.366 where: short stacking energy: -41.153 Base-Backbone interact. energy: -0.138 local terms energy: -53.744039 where: bonds (distance) C4'-P energy: -8.916 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -13.165 flat angles P-C4'-P energy: -8.156 tors. eta vs tors. theta energy: -11.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -164.198348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.198348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.198348 (E_RNA) where: Base-Base interactions energy: -109.520 where: short stacking energy: -41.636 Base-Backbone interact. energy: -0.108 local terms energy: -54.570150 where: bonds (distance) C4'-P energy: -13.106 bonds (distance) P-C4' energy: -12.275 flat angles C4'-P-C4' energy: -13.523 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -10.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -65.917088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.917088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.917088 (E_RNA) where: Base-Base interactions energy: -31.476 where: short stacking energy: -20.300 Base-Backbone interact. energy: -0.353 local terms energy: -34.087662 where: bonds (distance) C4'-P energy: -10.672 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: 2.264 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: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -72.564730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.564730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.564730 (E_RNA) where: Base-Base interactions energy: -26.883 where: short stacking energy: -22.041 Base-Backbone interact. energy: -0.037 local terms energy: -45.644361 where: bonds (distance) C4'-P energy: -12.287 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -7.868 tors. eta vs tors. theta energy: 0.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -190.210597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.210597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.210597 (E_RNA) where: Base-Base interactions energy: -126.889 where: short stacking energy: -52.364 Base-Backbone interact. energy: -0.056 local terms energy: -63.265917 where: bonds (distance) C4'-P energy: -11.223 bonds (distance) P-C4' energy: -11.923 flat angles C4'-P-C4' energy: -14.899 flat angles P-C4'-P energy: -7.354 tors. eta vs tors. theta energy: -17.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -184.883609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.883609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.883609 (E_RNA) where: Base-Base interactions energy: -129.003 where: short stacking energy: -49.991 Base-Backbone interact. energy: -0.070 local terms energy: -55.810258 where: bonds (distance) C4'-P energy: -11.954 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -13.345 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: -12.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -186.687560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.687560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.687560 (E_RNA) where: Base-Base interactions energy: -123.750 where: short stacking energy: -46.180 Base-Backbone interact. energy: -0.017 local terms energy: -62.921077 where: bonds (distance) C4'-P energy: -12.987 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -11.808 flat angles P-C4'-P energy: -8.402 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: 4, replica: 3 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -185.368532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.368532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.368532 (E_RNA) where: Base-Base interactions energy: -128.236 where: short stacking energy: -55.180 Base-Backbone interact. energy: -0.002 local terms energy: -57.129964 where: bonds (distance) C4'-P energy: -12.804 bonds (distance) P-C4' energy: -12.663 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -8.603 tors. eta vs tors. theta energy: -15.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -177.067750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.067750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.067750 (E_RNA) where: Base-Base interactions energy: -127.479 where: short stacking energy: -45.415 Base-Backbone interact. energy: -0.503 local terms energy: -49.085420 where: bonds (distance) C4'-P energy: -10.829 bonds (distance) P-C4' energy: -8.789 flat angles C4'-P-C4' energy: -12.465 flat angles P-C4'-P energy: -5.788 tors. eta vs tors. theta energy: -11.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -174.493257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.493257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.493257 (E_RNA) where: Base-Base interactions energy: -118.912 where: short stacking energy: -47.301 Base-Backbone interact. energy: -0.131 local terms energy: -55.450133 where: bonds (distance) C4'-P energy: -9.052 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -12.391 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -11.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -175.004937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.004937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.004937 (E_RNA) where: Base-Base interactions energy: -119.307 where: short stacking energy: -48.793 Base-Backbone interact. energy: -0.908 local terms energy: -54.790378 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -11.881 flat angles C4'-P-C4' energy: -11.083 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -11.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -150.563693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.563693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.563693 (E_RNA) where: Base-Base interactions energy: -96.889 where: short stacking energy: -36.424 Base-Backbone interact. energy: -0.857 local terms energy: -52.817448 where: bonds (distance) C4'-P energy: -12.124 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -13.799 flat angles P-C4'-P energy: -6.752 tors. eta vs tors. theta energy: -7.452 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: 9, replica: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -66.634892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.634892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.634892 (E_RNA) where: Base-Base interactions energy: -23.450 where: short stacking energy: -15.786 Base-Backbone interact. energy: -0.069 local terms energy: -43.116073 where: bonds (distance) C4'-P energy: -11.768 bonds (distance) P-C4' energy: -10.951 flat angles C4'-P-C4' energy: -11.235 flat angles P-C4'-P energy: -8.895 tors. eta vs tors. theta energy: -0.266 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: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -64.939980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.939980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.939980 (E_RNA) where: Base-Base interactions energy: -36.841 where: short stacking energy: -25.547 Base-Backbone interact. energy: -0.337 local terms energy: -27.761902 where: bonds (distance) C4'-P energy: -11.097 bonds (distance) P-C4' energy: -9.616 flat angles C4'-P-C4' energy: -4.399 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: 0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -187.380246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.380246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.380246 (E_RNA) where: Base-Base interactions energy: -128.589 where: short stacking energy: -51.820 Base-Backbone interact. energy: -0.116 local terms energy: -58.674782 where: bonds (distance) C4'-P energy: -8.307 bonds (distance) P-C4' energy: -11.616 flat angles C4'-P-C4' energy: -15.071 flat angles P-C4'-P energy: -7.227 tors. eta vs tors. theta energy: -16.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -191.911112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.911112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.911112 (E_RNA) where: Base-Base interactions energy: -128.492 where: short stacking energy: -57.456 Base-Backbone interact. energy: -0.417 local terms energy: -63.001719 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -10.509 flat angles C4'-P-C4' energy: -14.327 flat angles P-C4'-P energy: -9.946 tors. eta vs tors. theta energy: -14.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -178.635304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.635304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.635304 (E_RNA) where: Base-Base interactions energy: -124.034 where: short stacking energy: -52.965 Base-Backbone interact. energy: -0.013 local terms energy: -54.589033 where: bonds (distance) C4'-P energy: -9.280 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -12.099 flat angles P-C4'-P energy: -8.090 tors. eta vs tors. theta energy: -11.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -182.914675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.914675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.914675 (E_RNA) where: Base-Base interactions energy: -124.676 where: short stacking energy: -45.916 Base-Backbone interact. energy: 0.369 local terms energy: -58.607797 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -11.826 flat angles P-C4'-P energy: -7.945 tors. eta vs tors. theta energy: -10.817 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: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -177.386731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.386731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.386731 (E_RNA) where: Base-Base interactions energy: -120.334 where: short stacking energy: -48.393 Base-Backbone interact. energy: 0.362 local terms energy: -57.415458 where: bonds (distance) C4'-P energy: -8.746 bonds (distance) P-C4' energy: -12.515 flat angles C4'-P-C4' energy: -11.187 flat angles P-C4'-P energy: -9.239 tors. eta vs tors. theta energy: -15.728 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: 9 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -175.438744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.438744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.438744 (E_RNA) where: Base-Base interactions energy: -120.354 where: short stacking energy: -49.857 Base-Backbone interact. energy: -0.487 local terms energy: -54.598335 where: bonds (distance) C4'-P energy: -12.687 bonds (distance) P-C4' energy: -8.885 flat angles C4'-P-C4' energy: -10.322 flat angles P-C4'-P energy: -8.725 tors. eta vs tors. theta energy: -13.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -169.085094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.085094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.085094 (E_RNA) where: Base-Base interactions energy: -116.442 where: short stacking energy: -51.190 Base-Backbone interact. energy: 1.435 local terms energy: -54.078041 where: bonds (distance) C4'-P energy: -12.927 bonds (distance) P-C4' energy: -10.976 flat angles C4'-P-C4' energy: -11.862 flat angles P-C4'-P energy: -7.922 tors. eta vs tors. theta energy: -10.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -174.017875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.017875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.017875 (E_RNA) where: Base-Base interactions energy: -118.096 where: short stacking energy: -48.382 Base-Backbone interact. energy: -0.035 local terms energy: -55.887063 where: bonds (distance) C4'-P energy: -9.786 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -9.161 flat angles P-C4'-P energy: -10.792 tors. eta vs tors. theta energy: -12.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -76.570643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.570643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.570643 (E_RNA) where: Base-Base interactions energy: -26.254 where: short stacking energy: -21.384 Base-Backbone interact. energy: -0.103 local terms energy: -50.212913 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -11.318 flat angles C4'-P-C4' energy: -14.543 flat angles P-C4'-P energy: -8.739 tors. eta vs tors. theta energy: -5.649 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: 332 Temperature: 1.350000 Total energy: -68.712454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.712454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.712454 (E_RNA) where: Base-Base interactions energy: -22.690 where: short stacking energy: -22.690 Base-Backbone interact. energy: 0.582 local terms energy: -46.604392 where: bonds (distance) C4'-P energy: -10.294 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -10.800 flat angles P-C4'-P energy: -7.533 tors. eta vs tors. theta energy: -3.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -185.658272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.658272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.658272 (E_RNA) where: Base-Base interactions energy: -127.841 where: short stacking energy: -53.385 Base-Backbone interact. energy: -0.104 local terms energy: -57.713369 where: bonds (distance) C4'-P energy: -11.144 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -10.565 flat angles P-C4'-P energy: -6.212 tors. eta vs tors. theta energy: -16.415 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: 2, replica: 5 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -193.195406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.195406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.195406 (E_RNA) where: Base-Base interactions energy: -131.247 where: short stacking energy: -55.121 Base-Backbone interact. energy: -0.059 local terms energy: -61.888739 where: bonds (distance) C4'-P energy: -13.933 bonds (distance) P-C4' energy: -14.358 flat angles C4'-P-C4' energy: -12.006 flat angles P-C4'-P energy: -6.320 tors. eta vs tors. theta energy: -15.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -177.476286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.476286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.476286 (E_RNA) where: Base-Base interactions energy: -119.656 where: short stacking energy: -48.086 Base-Backbone interact. energy: -1.404 local terms energy: -56.416281 where: bonds (distance) C4'-P energy: -7.522 bonds (distance) P-C4' energy: -14.015 flat angles C4'-P-C4' energy: -12.393 flat angles P-C4'-P energy: -10.673 tors. eta vs tors. theta energy: -11.814 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: 2 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -178.352124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.352124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.352124 (E_RNA) where: Base-Base interactions energy: -119.539 where: short stacking energy: -52.296 Base-Backbone interact. energy: -0.367 local terms energy: -58.446022 where: bonds (distance) C4'-P energy: -8.850 bonds (distance) P-C4' energy: -12.730 flat angles C4'-P-C4' energy: -13.740 flat angles P-C4'-P energy: -7.347 tors. eta vs tors. theta energy: -15.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -175.779222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.779222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.779222 (E_RNA) where: Base-Base interactions energy: -114.884 where: short stacking energy: -47.037 Base-Backbone interact. energy: 0.190 local terms energy: -61.084993 where: bonds (distance) C4'-P energy: -9.810 bonds (distance) P-C4' energy: -13.040 flat angles C4'-P-C4' energy: -13.821 flat angles P-C4'-P energy: -10.296 tors. eta vs tors. theta energy: -14.118 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: 333 Temperature: 1.150000 Total energy: -176.860680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.860680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.860680 (E_RNA) where: Base-Base interactions energy: -115.186 where: short stacking energy: -50.157 Base-Backbone interact. energy: 0.052 local terms energy: -61.726659 where: bonds (distance) C4'-P energy: -13.904 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -13.468 flat angles P-C4'-P energy: -7.886 tors. eta vs tors. theta energy: -12.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -172.964387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.964387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.964387 (E_RNA) where: Base-Base interactions energy: -113.230 where: short stacking energy: -47.823 Base-Backbone interact. energy: 0.012 local terms energy: -59.745920 where: bonds (distance) C4'-P energy: -10.718 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -14.233 flat angles P-C4'-P energy: -7.038 tors. eta vs tors. theta energy: -14.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -152.718570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.718570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.718570 (E_RNA) where: Base-Base interactions energy: -110.020 where: short stacking energy: -41.644 Base-Backbone interact. energy: -0.116 local terms energy: -42.583174 where: bonds (distance) C4'-P energy: -5.546 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -10.018 flat angles P-C4'-P energy: -6.789 tors. eta vs tors. theta energy: -7.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -67.655799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.655799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.655799 (E_RNA) where: Base-Base interactions energy: -26.975 where: short stacking energy: -24.032 Base-Backbone interact. energy: -0.296 local terms energy: -40.384884 where: bonds (distance) C4'-P energy: -8.396 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -8.725 flat angles P-C4'-P energy: -9.165 tors. eta vs tors. theta energy: -2.161 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: 333 Temperature: 1.350000 Total energy: -57.357682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.357682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.357682 (E_RNA) where: Base-Base interactions energy: -22.762 where: short stacking energy: -15.129 Base-Backbone interact. energy: -0.124 local terms energy: -34.472448 where: bonds (distance) C4'-P energy: -8.648 bonds (distance) P-C4' energy: -11.749 flat angles C4'-P-C4' energy: -7.742 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -189.773219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.773219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.773219 (E_RNA) where: Base-Base interactions energy: -132.664 where: short stacking energy: -45.111 Base-Backbone interact. energy: -0.055 local terms energy: -57.053956 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -10.694 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -13.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -182.282527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.282527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.282527 (E_RNA) where: Base-Base interactions energy: -126.843 where: short stacking energy: -56.215 Base-Backbone interact. energy: -0.126 local terms energy: -55.314122 where: bonds (distance) C4'-P energy: -11.777 bonds (distance) P-C4' energy: -10.711 flat angles C4'-P-C4' energy: -14.577 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -14.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -182.020422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.020422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.020422 (E_RNA) where: Base-Base interactions energy: -122.581 where: short stacking energy: -51.521 Base-Backbone interact. energy: -0.049 local terms energy: -59.390229 where: bonds (distance) C4'-P energy: -11.673 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -13.141 flat angles P-C4'-P energy: -7.298 tors. eta vs tors. theta energy: -15.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -176.521163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.521163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.521163 (E_RNA) where: Base-Base interactions energy: -125.133 where: short stacking energy: -46.878 Base-Backbone interact. energy: 0.730 local terms energy: -52.118151 where: bonds (distance) C4'-P energy: -7.967 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -12.611 flat angles P-C4'-P energy: -7.021 tors. eta vs tors. theta energy: -9.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -175.910601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.910601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.910601 (E_RNA) where: Base-Base interactions energy: -108.690 where: short stacking energy: -43.374 Base-Backbone interact. energy: -1.057 local terms energy: -66.162718 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -13.290 flat angles P-C4'-P energy: -10.262 tors. eta vs tors. theta energy: -13.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -171.838202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.838202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.838202 (E_RNA) where: Base-Base interactions energy: -115.474 where: short stacking energy: -41.328 Base-Backbone interact. energy: -0.727 local terms energy: -55.637291 where: bonds (distance) C4'-P energy: -12.587 bonds (distance) P-C4' energy: -12.965 flat angles C4'-P-C4' energy: -11.657 flat angles P-C4'-P energy: -5.280 tors. eta vs tors. theta energy: -13.148 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: 7, replica: 8 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -165.452455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.452455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.452455 (E_RNA) where: Base-Base interactions energy: -110.462 where: short stacking energy: -49.170 Base-Backbone interact. energy: -0.072 local terms energy: -54.918701 where: bonds (distance) C4'-P energy: -8.867 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -14.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -156.280734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.280734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.280734 (E_RNA) where: Base-Base interactions energy: -111.085 where: short stacking energy: -43.593 Base-Backbone interact. energy: -0.295 local terms energy: -44.900330 where: bonds (distance) C4'-P energy: -9.029 bonds (distance) P-C4' energy: -12.130 flat angles C4'-P-C4' energy: -9.422 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -10.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -78.543310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.543310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.543310 (E_RNA) where: Base-Base interactions energy: -34.317 where: short stacking energy: -24.135 Base-Backbone interact. energy: -0.107 local terms energy: -44.119962 where: bonds (distance) C4'-P energy: -10.360 bonds (distance) P-C4' energy: -12.024 flat angles C4'-P-C4' energy: -11.625 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -4.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -60.306274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.306274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.306274 (E_RNA) where: Base-Base interactions energy: -19.813 where: short stacking energy: -19.813 Base-Backbone interact. energy: -0.062 local terms energy: -40.431201 where: bonds (distance) C4'-P energy: -12.146 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -3.741 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -5.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -194.210269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.210269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.210269 (E_RNA) where: Base-Base interactions energy: -134.148 where: short stacking energy: -56.105 Base-Backbone interact. energy: -0.088 local terms energy: -59.974690 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -10.421 flat angles P-C4'-P energy: -8.022 tors. eta vs tors. theta energy: -15.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -186.163611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.163611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.163611 (E_RNA) where: Base-Base interactions energy: -130.503 where: short stacking energy: -46.739 Base-Backbone interact. energy: -0.133 local terms energy: -55.527464 where: bonds (distance) C4'-P energy: -14.493 bonds (distance) P-C4' energy: -10.563 flat angles C4'-P-C4' energy: -13.141 flat angles P-C4'-P energy: -5.524 tors. eta vs tors. theta energy: -11.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -180.637169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.637169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.637169 (E_RNA) where: Base-Base interactions energy: -125.337 where: short stacking energy: -51.398 Base-Backbone interact. energy: -0.012 local terms energy: -55.288505 where: bonds (distance) C4'-P energy: -12.691 bonds (distance) P-C4' energy: -9.988 flat angles C4'-P-C4' energy: -13.624 flat angles P-C4'-P energy: -2.883 tors. eta vs tors. theta energy: -16.102 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: 9 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -181.100416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.100416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.100416 (E_RNA) where: Base-Base interactions energy: -123.984 where: short stacking energy: -49.165 Base-Backbone interact. energy: -0.002 local terms energy: -57.114538 where: bonds (distance) C4'-P energy: -12.581 bonds (distance) P-C4' energy: -12.451 flat angles C4'-P-C4' energy: -13.151 flat angles P-C4'-P energy: -7.268 tors. eta vs tors. theta energy: -11.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -175.223947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.223947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.223947 (E_RNA) where: Base-Base interactions energy: -118.163 where: short stacking energy: -43.812 Base-Backbone interact. energy: -0.180 local terms energy: -56.880852 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -14.753 flat angles C4'-P-C4' energy: -12.932 flat angles P-C4'-P energy: -6.825 tors. eta vs tors. theta energy: -15.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -171.925679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.925679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.925679 (E_RNA) where: Base-Base interactions energy: -116.406 where: short stacking energy: -51.103 Base-Backbone interact. energy: -0.104 local terms energy: -55.415427 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -13.153 flat angles C4'-P-C4' energy: -14.405 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -16.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -168.867839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.867839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.867839 (E_RNA) where: Base-Base interactions energy: -122.754 where: short stacking energy: -56.368 Base-Backbone interact. energy: -0.043 local terms energy: -46.069881 where: bonds (distance) C4'-P energy: -11.686 bonds (distance) P-C4' energy: -2.989 flat angles C4'-P-C4' energy: -10.200 flat angles P-C4'-P energy: -6.177 tors. eta vs tors. theta energy: -15.017 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: 1 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -169.832275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.832275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.832275 (E_RNA) where: Base-Base interactions energy: -119.918 where: short stacking energy: -50.092 Base-Backbone interact. energy: -0.025 local terms energy: -49.889390 where: bonds (distance) C4'-P energy: -5.630 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -9.084 flat angles P-C4'-P energy: -10.784 tors. eta vs tors. theta energy: -15.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -65.431817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.431817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.431817 (E_RNA) where: Base-Base interactions energy: -23.469 where: short stacking energy: -17.020 Base-Backbone interact. energy: 0.915 local terms energy: -42.877718 where: bonds (distance) C4'-P energy: -9.513 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -8.989 flat angles P-C4'-P energy: -10.018 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -77.033916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.033916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.033916 (E_RNA) where: Base-Base interactions energy: -33.382 where: short stacking energy: -21.007 Base-Backbone interact. energy: -0.873 local terms energy: -42.778225 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -10.745 flat angles C4'-P-C4' energy: -10.048 flat angles P-C4'-P energy: -7.922 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -189.955366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.955366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.955366 (E_RNA) where: Base-Base interactions energy: -125.580 where: short stacking energy: -50.784 Base-Backbone interact. energy: -0.066 local terms energy: -64.309127 where: bonds (distance) C4'-P energy: -10.647 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -8.230 tors. eta vs tors. theta energy: -17.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -191.614442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.614442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.614442 (E_RNA) where: Base-Base interactions energy: -131.267 where: short stacking energy: -54.702 Base-Backbone interact. energy: -0.096 local terms energy: -60.250975 where: bonds (distance) C4'-P energy: -11.114 bonds (distance) P-C4' energy: -11.604 flat angles C4'-P-C4' energy: -12.123 flat angles P-C4'-P energy: -9.069 tors. eta vs tors. theta energy: -16.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -181.338931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.338931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.338931 (E_RNA) where: Base-Base interactions energy: -121.758 where: short stacking energy: -38.984 Base-Backbone interact. energy: -0.105 local terms energy: -59.476103 where: bonds (distance) C4'-P energy: -12.974 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -12.243 flat angles P-C4'-P energy: -9.019 tors. eta vs tors. theta energy: -12.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -184.318893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.318893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.318893 (E_RNA) where: Base-Base interactions energy: -123.949 where: short stacking energy: -51.451 Base-Backbone interact. energy: -0.027 local terms energy: -60.342543 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -12.479 flat angles C4'-P-C4' energy: -12.670 flat angles P-C4'-P energy: -4.843 tors. eta vs tors. theta energy: -16.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -176.120303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.120303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.120303 (E_RNA) where: Base-Base interactions energy: -117.108 where: short stacking energy: -46.758 Base-Backbone interact. energy: -0.002 local terms energy: -59.010052 where: bonds (distance) C4'-P energy: -13.152 bonds (distance) P-C4' energy: -14.371 flat angles C4'-P-C4' energy: -13.428 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -13.444 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: 3 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -172.159494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.159494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.159494 (E_RNA) where: Base-Base interactions energy: -109.189 where: short stacking energy: -48.950 Base-Backbone interact. energy: -0.002 local terms energy: -62.968609 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -14.212 flat angles P-C4'-P energy: -8.344 tors. eta vs tors. theta energy: -16.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -166.245887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.245887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.245887 (E_RNA) where: Base-Base interactions energy: -110.514 where: short stacking energy: -48.537 Base-Backbone interact. energy: -0.299 local terms energy: -55.432553 where: bonds (distance) C4'-P energy: -12.919 bonds (distance) P-C4' energy: -9.958 flat angles C4'-P-C4' energy: -12.370 flat angles P-C4'-P energy: -6.971 tors. eta vs tors. theta energy: -13.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -167.636469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.636469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.636469 (E_RNA) where: Base-Base interactions energy: -119.359 where: short stacking energy: -47.709 Base-Backbone interact. energy: -0.007 local terms energy: -48.270416 where: bonds (distance) C4'-P energy: -9.227 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -9.750 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: -11.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -76.373698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.373698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.373698 (E_RNA) where: Base-Base interactions energy: -32.405 where: short stacking energy: -27.978 Base-Backbone interact. energy: -0.020 local terms energy: -43.948946 where: bonds (distance) C4'-P energy: -8.767 bonds (distance) P-C4' energy: -10.247 flat angles C4'-P-C4' energy: -13.142 flat angles P-C4'-P energy: -7.497 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -58.457009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.457009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.457009 (E_RNA) where: Base-Base interactions energy: -25.117 where: short stacking energy: -12.996 Base-Backbone interact. energy: -0.106 local terms energy: -33.234074 where: bonds (distance) C4'-P energy: -8.010 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -7.620 tors. eta vs tors. theta energy: 2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -190.804910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.804910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.804910 (E_RNA) where: Base-Base interactions energy: -126.051 where: short stacking energy: -52.541 Base-Backbone interact. energy: -0.000 local terms energy: -64.754057 where: bonds (distance) C4'-P energy: -14.049 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -12.791 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -17.059 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: 2, replica: 9 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -193.401019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.401019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.401019 (E_RNA) where: Base-Base interactions energy: -136.341 where: short stacking energy: -46.753 Base-Backbone interact. energy: -0.015 local terms energy: -57.044182 where: bonds (distance) C4'-P energy: -11.512 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -8.948 flat angles P-C4'-P energy: -5.340 tors. eta vs tors. theta energy: -16.651 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: 2 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -185.123535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.123535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.123535 (E_RNA) where: Base-Base interactions energy: -130.035 where: short stacking energy: -50.540 Base-Backbone interact. energy: -0.418 local terms energy: -54.670575 where: bonds (distance) C4'-P energy: -10.245 bonds (distance) P-C4' energy: -9.220 flat angles C4'-P-C4' energy: -11.538 flat angles P-C4'-P energy: -7.127 tors. eta vs tors. theta energy: -16.541 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: 337 Temperature: 1.050000 Total energy: -173.745561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.745561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.745561 (E_RNA) where: Base-Base interactions energy: -111.177 where: short stacking energy: -48.902 Base-Backbone interact. energy: -0.374 local terms energy: -62.194559 where: bonds (distance) C4'-P energy: -13.628 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -15.524 flat angles P-C4'-P energy: -10.120 tors. eta vs tors. theta energy: -9.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -171.860251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.860251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.860251 (E_RNA) where: Base-Base interactions energy: -113.524 where: short stacking energy: -50.512 Base-Backbone interact. energy: -0.036 local terms energy: -58.300467 where: bonds (distance) C4'-P energy: -11.206 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -11.790 flat angles P-C4'-P energy: -11.323 tors. eta vs tors. theta energy: -12.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -163.110559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.110559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.110559 (E_RNA) where: Base-Base interactions energy: -111.355 where: short stacking energy: -44.417 Base-Backbone interact. energy: -0.683 local terms energy: -51.071991 where: bonds (distance) C4'-P energy: -8.545 bonds (distance) P-C4' energy: -12.257 flat angles C4'-P-C4' energy: -12.602 flat angles P-C4'-P energy: -9.809 tors. eta vs tors. theta energy: -7.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -171.898225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.898225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.898225 (E_RNA) where: Base-Base interactions energy: -124.872 where: short stacking energy: -43.049 Base-Backbone interact. energy: -0.013 local terms energy: -47.012988 where: bonds (distance) C4'-P energy: -11.026 bonds (distance) P-C4' energy: -12.257 flat angles C4'-P-C4' energy: -11.381 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: -9.759 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: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -164.442070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.442070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.442070 (E_RNA) where: Base-Base interactions energy: -116.051 where: short stacking energy: -47.076 Base-Backbone interact. energy: 1.277 local terms energy: -49.668460 where: bonds (distance) C4'-P energy: -8.104 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -8.803 flat angles P-C4'-P energy: -7.264 tors. eta vs tors. theta energy: -11.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -74.812952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.812952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.812952 (E_RNA) where: Base-Base interactions energy: -35.489 where: short stacking energy: -25.202 Base-Backbone interact. energy: -0.189 local terms energy: -39.135150 where: bonds (distance) C4'-P energy: -10.938 bonds (distance) P-C4' energy: -12.983 flat angles C4'-P-C4' energy: -8.590 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -2.025 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: 337 Temperature: 1.350000 Total energy: -58.847825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.847825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.847825 (E_RNA) where: Base-Base interactions energy: -12.015 where: short stacking energy: -12.015 Base-Backbone interact. energy: 0.113 local terms energy: -46.945810 where: bonds (distance) C4'-P energy: -9.785 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -11.752 flat angles P-C4'-P energy: -7.508 tors. eta vs tors. theta energy: -3.012 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: 9 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -192.484163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.484163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.484163 (E_RNA) where: Base-Base interactions energy: -129.281 where: short stacking energy: -46.611 Base-Backbone interact. energy: -0.053 local terms energy: -63.149900 where: bonds (distance) C4'-P energy: -13.566 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -13.786 flat angles P-C4'-P energy: -8.135 tors. eta vs tors. theta energy: -14.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -185.793370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.793370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.793370 (E_RNA) where: Base-Base interactions energy: -128.495 where: short stacking energy: -50.578 Base-Backbone interact. energy: -1.409 local terms energy: -55.889823 where: bonds (distance) C4'-P energy: -11.570 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -10.441 flat angles P-C4'-P energy: -7.560 tors. eta vs tors. theta energy: -13.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -181.470697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.470697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.470697 (E_RNA) where: Base-Base interactions energy: -129.744 where: short stacking energy: -45.284 Base-Backbone interact. energy: -0.239 local terms energy: -51.487172 where: bonds (distance) C4'-P energy: -9.603 bonds (distance) P-C4' energy: -10.094 flat angles C4'-P-C4' energy: -14.204 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -12.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -177.038108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.038108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.038108 (E_RNA) where: Base-Base interactions energy: -111.434 where: short stacking energy: -45.653 Base-Backbone interact. energy: -0.053 local terms energy: -65.551581 where: bonds (distance) C4'-P energy: -14.128 bonds (distance) P-C4' energy: -11.861 flat angles C4'-P-C4' energy: -13.042 flat angles P-C4'-P energy: -10.660 tors. eta vs tors. theta energy: -15.860 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: 8 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -173.512004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.512004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.512004 (E_RNA) where: Base-Base interactions energy: -118.031 where: short stacking energy: -44.487 Base-Backbone interact. energy: -0.263 local terms energy: -55.217479 where: bonds (distance) C4'-P energy: -10.350 bonds (distance) P-C4' energy: -13.773 flat angles C4'-P-C4' energy: -9.751 flat angles P-C4'-P energy: -6.252 tors. eta vs tors. theta energy: -15.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -167.286193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.286193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.286193 (E_RNA) where: Base-Base interactions energy: -116.574 where: short stacking energy: -47.372 Base-Backbone interact. energy: 2.285 local terms energy: -52.997199 where: bonds (distance) C4'-P energy: -10.449 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -11.199 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -12.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -172.362726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.362726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.362726 (E_RNA) where: Base-Base interactions energy: -119.065 where: short stacking energy: -50.387 Base-Backbone interact. energy: -0.579 local terms energy: -52.718747 where: bonds (distance) C4'-P energy: -7.686 bonds (distance) P-C4' energy: -10.582 flat angles C4'-P-C4' energy: -12.225 flat angles P-C4'-P energy: -8.376 tors. eta vs tors. theta energy: -13.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -157.262800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.262800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.262800 (E_RNA) where: Base-Base interactions energy: -109.623 where: short stacking energy: -41.934 Base-Backbone interact. energy: 1.346 local terms energy: -48.986003 where: bonds (distance) C4'-P energy: -10.675 bonds (distance) P-C4' energy: -10.948 flat angles C4'-P-C4' energy: -11.252 flat angles P-C4'-P energy: -7.005 tors. eta vs tors. theta energy: -9.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -72.996441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.996441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.996441 (E_RNA) where: Base-Base interactions energy: -30.184 where: short stacking energy: -19.957 Base-Backbone interact. energy: -0.750 local terms energy: -42.062460 where: bonds (distance) C4'-P energy: -10.175 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -8.066 tors. eta vs tors. theta energy: -2.731 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: 338 Temperature: 1.350000 Total energy: -68.584100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.584100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.584100 (E_RNA) where: Base-Base interactions energy: -33.558 where: short stacking energy: -14.479 Base-Backbone interact. energy: -0.080 local terms energy: -34.946191 where: bonds (distance) C4'-P energy: -12.902 bonds (distance) P-C4' energy: -10.334 flat angles C4'-P-C4' energy: -10.583 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: 3.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -187.226712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.226712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.226712 (E_RNA) where: Base-Base interactions energy: -122.575 where: short stacking energy: -46.767 Base-Backbone interact. energy: -0.886 local terms energy: -63.766161 where: bonds (distance) C4'-P energy: -14.340 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -12.080 flat angles P-C4'-P energy: -8.070 tors. eta vs tors. theta energy: -16.170 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: 6 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -186.354638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.354638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.354638 (E_RNA) where: Base-Base interactions energy: -125.577 where: short stacking energy: -54.396 Base-Backbone interact. energy: -0.701 local terms energy: -60.076344 where: bonds (distance) C4'-P energy: -12.741 bonds (distance) P-C4' energy: -10.572 flat angles C4'-P-C4' energy: -12.772 flat angles P-C4'-P energy: -10.095 tors. eta vs tors. theta energy: -13.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -180.834548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.834548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.834548 (E_RNA) where: Base-Base interactions energy: -121.712 where: short stacking energy: -54.479 Base-Backbone interact. energy: -0.021 local terms energy: -59.102002 where: bonds (distance) C4'-P energy: -11.374 bonds (distance) P-C4' energy: -9.460 flat angles C4'-P-C4' energy: -12.551 flat angles P-C4'-P energy: -10.466 tors. eta vs tors. theta energy: -15.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -189.431446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.431446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.431446 (E_RNA) where: Base-Base interactions energy: -125.357 where: short stacking energy: -52.484 Base-Backbone interact. energy: -0.096 local terms energy: -63.978647 where: bonds (distance) C4'-P energy: -12.071 bonds (distance) P-C4' energy: -10.722 flat angles C4'-P-C4' energy: -13.432 flat angles P-C4'-P energy: -9.655 tors. eta vs tors. theta energy: -18.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -175.661566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.661566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.661566 (E_RNA) where: Base-Base interactions energy: -125.573 where: short stacking energy: -50.694 Base-Backbone interact. energy: 0.165 local terms energy: -50.253334 where: bonds (distance) C4'-P energy: -3.515 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -13.531 flat angles P-C4'-P energy: -8.006 tors. eta vs tors. theta energy: -12.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -172.448561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.448561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.448561 (E_RNA) where: Base-Base interactions energy: -118.589 where: short stacking energy: -50.804 Base-Backbone interact. energy: -0.365 local terms energy: -53.494620 where: bonds (distance) C4'-P energy: -12.162 bonds (distance) P-C4' energy: -6.285 flat angles C4'-P-C4' energy: -13.495 flat angles P-C4'-P energy: -6.320 tors. eta vs tors. theta energy: -15.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -166.117107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.117107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.117107 (E_RNA) where: Base-Base interactions energy: -114.162 where: short stacking energy: -49.855 Base-Backbone interact. energy: -0.005 local terms energy: -51.949822 where: bonds (distance) C4'-P energy: -9.603 bonds (distance) P-C4' energy: -9.994 flat angles C4'-P-C4' energy: -13.039 flat angles P-C4'-P energy: -2.137 tors. eta vs tors. theta energy: -17.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -162.977896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.977896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.977896 (E_RNA) where: Base-Base interactions energy: -112.348 where: short stacking energy: -45.042 Base-Backbone interact. energy: -0.004 local terms energy: -50.626146 where: bonds (distance) C4'-P energy: -10.597 bonds (distance) P-C4' energy: -10.498 flat angles C4'-P-C4' energy: -10.045 flat angles P-C4'-P energy: -7.913 tors. eta vs tors. theta energy: -11.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -87.085448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.085448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.085448 (E_RNA) where: Base-Base interactions energy: -44.211 where: short stacking energy: -22.307 Base-Backbone interact. energy: -0.083 local terms energy: -42.790607 where: bonds (distance) C4'-P energy: -12.066 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -8.001 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -5.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -58.052228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.052228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.052228 (E_RNA) where: Base-Base interactions energy: -13.256 where: short stacking energy: -13.256 Base-Backbone interact. energy: -0.170 local terms energy: -44.626476 where: bonds (distance) C4'-P energy: -11.454 bonds (distance) P-C4' energy: -12.736 flat angles C4'-P-C4' energy: -9.516 flat angles P-C4'-P energy: -8.644 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -190.082608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.082608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.082608 (E_RNA) where: Base-Base interactions energy: -131.340 where: short stacking energy: -47.076 Base-Backbone interact. energy: -0.013 local terms energy: -58.729475 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -13.526 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -13.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -183.245743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.245743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.245743 (E_RNA) where: Base-Base interactions energy: -123.998 where: short stacking energy: -50.558 Base-Backbone interact. energy: -0.459 local terms energy: -58.789256 where: bonds (distance) C4'-P energy: -9.670 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -11.180 flat angles P-C4'-P energy: -10.418 tors. eta vs tors. theta energy: -13.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -180.568619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.568619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.568619 (E_RNA) where: Base-Base interactions energy: -125.759 where: short stacking energy: -47.034 Base-Backbone interact. energy: 1.287 local terms energy: -56.097027 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -12.130 flat angles C4'-P-C4' energy: -12.047 flat angles P-C4'-P energy: -9.755 tors. eta vs tors. theta energy: -11.021 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: 5 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -175.363176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.363176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.363176 (E_RNA) where: Base-Base interactions energy: -115.022 where: short stacking energy: -48.534 Base-Backbone interact. energy: -0.831 local terms energy: -59.509771 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -14.361 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -13.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -186.644195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.644195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.644195 (E_RNA) where: Base-Base interactions energy: -130.842 where: short stacking energy: -51.520 Base-Backbone interact. energy: -0.006 local terms energy: -55.796839 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -7.748 flat angles C4'-P-C4' energy: -12.497 flat angles P-C4'-P energy: -8.941 tors. eta vs tors. theta energy: -13.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -176.424794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.424794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.424794 (E_RNA) where: Base-Base interactions energy: -116.686 where: short stacking energy: -46.655 Base-Backbone interact. energy: -0.290 local terms energy: -59.448717 where: bonds (distance) C4'-P energy: -9.815 bonds (distance) P-C4' energy: -13.702 flat angles C4'-P-C4' energy: -10.787 flat angles P-C4'-P energy: -8.302 tors. eta vs tors. theta energy: -16.843 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: 3 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -166.107591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.107591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.107591 (E_RNA) where: Base-Base interactions energy: -112.068 where: short stacking energy: -42.119 Base-Backbone interact. energy: -0.082 local terms energy: -53.958346 where: bonds (distance) C4'-P energy: -12.122 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -10.453 flat angles P-C4'-P energy: -6.535 tors. eta vs tors. theta energy: -12.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -149.138667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.138667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.138667 (E_RNA) where: Base-Base interactions energy: -100.338 where: short stacking energy: -42.019 Base-Backbone interact. energy: -0.004 local terms energy: -48.797051 where: bonds (distance) C4'-P energy: -10.250 bonds (distance) P-C4' energy: -14.520 flat angles C4'-P-C4' energy: -10.694 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -8.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -64.120431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.120431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.120431 (E_RNA) where: Base-Base interactions energy: -23.238 where: short stacking energy: -14.528 Base-Backbone interact. energy: 0.985 local terms energy: -41.867908 where: bonds (distance) C4'-P energy: -10.866 bonds (distance) P-C4' energy: -10.660 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -8.032 tors. eta vs tors. theta energy: -6.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -79.654688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.654688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.654688 (E_RNA) where: Base-Base interactions energy: -40.903 where: short stacking energy: -21.486 Base-Backbone interact. energy: -0.136 local terms energy: -38.616318 where: bonds (distance) C4'-P energy: -11.136 bonds (distance) P-C4' energy: -10.966 flat angles C4'-P-C4' energy: -9.155 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -192.078927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.078927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.078927 (E_RNA) where: Base-Base interactions energy: -125.367 where: short stacking energy: -51.229 Base-Backbone interact. energy: -0.001 local terms energy: -66.710500 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -13.368 flat angles C4'-P-C4' energy: -15.481 flat angles P-C4'-P energy: -9.313 tors. eta vs tors. theta energy: -15.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -184.878254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.878254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.878254 (E_RNA) where: Base-Base interactions energy: -122.657 where: short stacking energy: -54.722 Base-Backbone interact. energy: -0.001 local terms energy: -62.220718 where: bonds (distance) C4'-P energy: -12.333 bonds (distance) P-C4' energy: -11.791 flat angles C4'-P-C4' energy: -12.751 flat angles P-C4'-P energy: -9.961 tors. eta vs tors. theta energy: -15.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -180.901688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.901688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.901688 (E_RNA) where: Base-Base interactions energy: -121.408 where: short stacking energy: -47.309 Base-Backbone interact. energy: -0.641 local terms energy: -58.852612 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -14.936 flat angles P-C4'-P energy: -6.191 tors. eta vs tors. theta energy: -10.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -173.641894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.641894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.641894 (E_RNA) where: Base-Base interactions energy: -113.015 where: short stacking energy: -43.619 Base-Backbone interact. energy: 0.227 local terms energy: -60.853875 where: bonds (distance) C4'-P energy: -11.597 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -13.314 flat angles P-C4'-P energy: -7.956 tors. eta vs tors. theta energy: -14.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -180.754870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.754870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.754870 (E_RNA) where: Base-Base interactions energy: -123.269 where: short stacking energy: -46.733 Base-Backbone interact. energy: -0.003 local terms energy: -57.483103 where: bonds (distance) C4'-P energy: -10.208 bonds (distance) P-C4' energy: -12.607 flat angles C4'-P-C4' energy: -9.398 flat angles P-C4'-P energy: -11.270 tors. eta vs tors. theta energy: -14.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -177.823341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.823341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.823341 (E_RNA) where: Base-Base interactions energy: -121.211 where: short stacking energy: -49.196 Base-Backbone interact. energy: -0.099 local terms energy: -56.513348 where: bonds (distance) C4'-P energy: -10.754 bonds (distance) P-C4' energy: -11.591 flat angles C4'-P-C4' energy: -12.147 flat angles P-C4'-P energy: -4.871 tors. eta vs tors. theta energy: -17.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -161.930787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.930787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.930787 (E_RNA) where: Base-Base interactions energy: -109.604 where: short stacking energy: -48.098 Base-Backbone interact. energy: 0.305 local terms energy: -52.631476 where: bonds (distance) C4'-P energy: -11.388 bonds (distance) P-C4' energy: -10.715 flat angles C4'-P-C4' energy: -14.279 flat angles P-C4'-P energy: -6.062 tors. eta vs tors. theta energy: -10.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -126.098118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.098118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.098118 (E_RNA) where: Base-Base interactions energy: -75.372 where: short stacking energy: -25.684 Base-Backbone interact. energy: -0.239 local terms energy: -50.486767 where: bonds (distance) C4'-P energy: -11.613 bonds (distance) P-C4' energy: -12.360 flat angles C4'-P-C4' energy: -9.934 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: -8.736 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: 341 Temperature: 1.300000 Total energy: -65.235723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.235723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.235723 (E_RNA) where: Base-Base interactions energy: -25.972 where: short stacking energy: -18.228 Base-Backbone interact. energy: -0.092 local terms energy: -39.171745 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -13.824 flat angles C4'-P-C4' energy: -10.092 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: 1.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -58.593167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.593167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.593167 (E_RNA) where: Base-Base interactions energy: -14.757 where: short stacking energy: -12.741 Base-Backbone interact. energy: -0.194 local terms energy: -43.642661 where: bonds (distance) C4'-P energy: -10.705 bonds (distance) P-C4' energy: -12.184 flat angles C4'-P-C4' energy: -12.007 flat angles P-C4'-P energy: -9.399 tors. eta vs tors. theta energy: 0.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -184.707855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.707855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.707855 (E_RNA) where: Base-Base interactions energy: -126.457 where: short stacking energy: -51.487 Base-Backbone interact. energy: -0.033 local terms energy: -58.218135 where: bonds (distance) C4'-P energy: -13.905 bonds (distance) P-C4' energy: -12.205 flat angles C4'-P-C4' energy: -14.833 flat angles P-C4'-P energy: -5.594 tors. eta vs tors. theta energy: -11.681 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: 6 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -187.390091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.390091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.390091 (E_RNA) where: Base-Base interactions energy: -126.915 where: short stacking energy: -52.370 Base-Backbone interact. energy: -0.015 local terms energy: -60.460755 where: bonds (distance) C4'-P energy: -13.868 bonds (distance) P-C4' energy: -10.358 flat angles C4'-P-C4' energy: -13.195 flat angles P-C4'-P energy: -9.055 tors. eta vs tors. theta energy: -13.984 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: 3, replica: 1 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -188.663200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.663200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.663200 (E_RNA) where: Base-Base interactions energy: -132.128 where: short stacking energy: -50.713 Base-Backbone interact. energy: -0.000 local terms energy: -56.534916 where: bonds (distance) C4'-P energy: -12.687 bonds (distance) P-C4' energy: -9.030 flat angles C4'-P-C4' energy: -14.890 flat angles P-C4'-P energy: -7.171 tors. eta vs tors. theta energy: -12.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -171.611611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.611611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.611611 (E_RNA) where: Base-Base interactions energy: -116.768 where: short stacking energy: -51.234 Base-Backbone interact. energy: -0.095 local terms energy: -54.749172 where: bonds (distance) C4'-P energy: -10.933 bonds (distance) P-C4' energy: -8.785 flat angles C4'-P-C4' energy: -12.842 flat angles P-C4'-P energy: -7.617 tors. eta vs tors. theta energy: -14.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -179.972808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.972808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.972808 (E_RNA) where: Base-Base interactions energy: -119.081 where: short stacking energy: -48.225 Base-Backbone interact. energy: -0.001 local terms energy: -60.891355 where: bonds (distance) C4'-P energy: -11.636 bonds (distance) P-C4' energy: -11.927 flat angles C4'-P-C4' energy: -13.192 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -14.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -170.230917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.230917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.230917 (E_RNA) where: Base-Base interactions energy: -109.566 where: short stacking energy: -42.202 Base-Backbone interact. energy: -0.030 local terms energy: -60.634515 where: bonds (distance) C4'-P energy: -12.796 bonds (distance) P-C4' energy: -11.080 flat angles C4'-P-C4' energy: -12.621 flat angles P-C4'-P energy: -8.996 tors. eta vs tors. theta energy: -15.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -166.654177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.654177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.654177 (E_RNA) where: Base-Base interactions energy: -110.850 where: short stacking energy: -45.818 Base-Backbone interact. energy: 0.002 local terms energy: -55.805690 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -9.754 tors. eta vs tors. theta energy: -11.657 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: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -87.540108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.540108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.540108 (E_RNA) where: Base-Base interactions energy: -39.272 where: short stacking energy: -19.529 Base-Backbone interact. energy: -0.975 local terms energy: -47.292419 where: bonds (distance) C4'-P energy: -13.329 bonds (distance) P-C4' energy: -10.173 flat angles C4'-P-C4' energy: -9.407 flat angles P-C4'-P energy: -8.111 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: 9, replica: 10 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -64.019534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.019534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.019534 (E_RNA) where: Base-Base interactions energy: -23.506 where: short stacking energy: -21.060 Base-Backbone interact. energy: -0.017 local terms energy: -40.496331 where: bonds (distance) C4'-P energy: -10.671 bonds (distance) P-C4' energy: -9.020 flat angles C4'-P-C4' energy: -11.591 flat angles P-C4'-P energy: -7.640 tors. eta vs tors. theta energy: -1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -74.945793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.945793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.945793 (E_RNA) where: Base-Base interactions energy: -29.014 where: short stacking energy: -29.014 Base-Backbone interact. energy: -0.655 local terms energy: -45.276873 where: bonds (distance) C4'-P energy: -10.336 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -10.792 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -6.757 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: 1, replica: 9 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -187.057118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.057118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.057118 (E_RNA) where: Base-Base interactions energy: -128.687 where: short stacking energy: -54.009 Base-Backbone interact. energy: 1.889 local terms energy: -60.259505 where: bonds (distance) C4'-P energy: -10.473 bonds (distance) P-C4' energy: -9.180 flat angles C4'-P-C4' energy: -12.885 flat angles P-C4'-P energy: -9.222 tors. eta vs tors. theta energy: -18.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -190.431030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.431030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.431030 (E_RNA) where: Base-Base interactions energy: -135.186 where: short stacking energy: -54.559 Base-Backbone interact. energy: -0.062 local terms energy: -55.182306 where: bonds (distance) C4'-P energy: -12.248 bonds (distance) P-C4' energy: -11.172 flat angles C4'-P-C4' energy: -9.461 flat angles P-C4'-P energy: -5.903 tors. eta vs tors. theta energy: -16.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -185.740792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.740792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.740792 (E_RNA) where: Base-Base interactions energy: -131.925 where: short stacking energy: -51.105 Base-Backbone interact. energy: -0.009 local terms energy: -53.806791 where: bonds (distance) C4'-P energy: -10.780 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -12.082 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -15.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -173.740479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.740479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.740479 (E_RNA) where: Base-Base interactions energy: -121.801 where: short stacking energy: -50.634 Base-Backbone interact. energy: -0.010 local terms energy: -51.929787 where: bonds (distance) C4'-P energy: -9.131 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -13.322 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -13.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -178.933999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.933999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.933999 (E_RNA) where: Base-Base interactions energy: -122.973 where: short stacking energy: -52.377 Base-Backbone interact. energy: -0.163 local terms energy: -55.798624 where: bonds (distance) C4'-P energy: -11.707 bonds (distance) P-C4' energy: -14.110 flat angles C4'-P-C4' energy: -10.006 flat angles P-C4'-P energy: -6.069 tors. eta vs tors. theta energy: -13.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -176.388795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.388795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.388795 (E_RNA) where: Base-Base interactions energy: -122.328 where: short stacking energy: -47.894 Base-Backbone interact. energy: -0.286 local terms energy: -53.774981 where: bonds (distance) C4'-P energy: -10.817 bonds (distance) P-C4' energy: -8.327 flat angles C4'-P-C4' energy: -11.233 flat angles P-C4'-P energy: -8.252 tors. eta vs tors. theta energy: -15.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -175.613719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.613719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.613719 (E_RNA) where: Base-Base interactions energy: -116.894 where: short stacking energy: -51.771 Base-Backbone interact. energy: -0.282 local terms energy: -58.436981 where: bonds (distance) C4'-P energy: -10.594 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -11.791 flat angles P-C4'-P energy: -8.524 tors. eta vs tors. theta energy: -14.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -71.385776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.385776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.385776 (E_RNA) where: Base-Base interactions energy: -25.065 where: short stacking energy: -24.281 Base-Backbone interact. energy: -0.086 local terms energy: -46.235202 where: bonds (distance) C4'-P energy: -12.953 bonds (distance) P-C4' energy: -9.908 flat angles C4'-P-C4' energy: -8.185 flat angles P-C4'-P energy: -8.409 tors. eta vs tors. theta energy: -6.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -67.093779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.093779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.093779 (E_RNA) where: Base-Base interactions energy: -24.707 where: short stacking energy: -20.713 Base-Backbone interact. energy: -0.186 local terms energy: -42.201175 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -12.809 flat angles C4'-P-C4' energy: -8.676 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -3.524 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: 343 Temperature: 1.350000 Total energy: -60.552672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.552672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.552672 (E_RNA) where: Base-Base interactions energy: -23.713 where: short stacking energy: -23.713 Base-Backbone interact. energy: -0.021 local terms energy: -36.818636 where: bonds (distance) C4'-P energy: -4.950 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -11.293 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -196.329148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.329148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.329148 (E_RNA) where: Base-Base interactions energy: -135.615 where: short stacking energy: -49.138 Base-Backbone interact. energy: 0.022 local terms energy: -60.735806 where: bonds (distance) C4'-P energy: -11.712 bonds (distance) P-C4' energy: -14.170 flat angles C4'-P-C4' energy: -14.163 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -14.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -189.296333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.296333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.296333 (E_RNA) where: Base-Base interactions energy: -126.166 where: short stacking energy: -54.134 Base-Backbone interact. energy: -0.071 local terms energy: -63.058872 where: bonds (distance) C4'-P energy: -10.900 bonds (distance) P-C4' energy: -11.151 flat angles C4'-P-C4' energy: -14.980 flat angles P-C4'-P energy: -9.136 tors. eta vs tors. theta energy: -16.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -177.654070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.654070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.654070 (E_RNA) where: Base-Base interactions energy: -117.673 where: short stacking energy: -46.731 Base-Backbone interact. energy: -0.067 local terms energy: -59.913708 where: bonds (distance) C4'-P energy: -11.277 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -13.593 flat angles P-C4'-P energy: -6.332 tors. eta vs tors. theta energy: -15.285 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: 6 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -184.864480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.864480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.864480 (E_RNA) where: Base-Base interactions energy: -127.332 where: short stacking energy: -46.725 Base-Backbone interact. energy: -0.050 local terms energy: -57.482637 where: bonds (distance) C4'-P energy: -12.770 bonds (distance) P-C4' energy: -12.295 flat angles C4'-P-C4' energy: -9.918 flat angles P-C4'-P energy: -9.868 tors. eta vs tors. theta energy: -12.631 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: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -178.303507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.303507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.303507 (E_RNA) where: Base-Base interactions energy: -123.678 where: short stacking energy: -53.159 Base-Backbone interact. energy: -0.098 local terms energy: -54.527403 where: bonds (distance) C4'-P energy: -11.127 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -9.566 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -16.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -173.690580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.690580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.690580 (E_RNA) where: Base-Base interactions energy: -120.386 where: short stacking energy: -51.766 Base-Backbone interact. energy: -0.236 local terms energy: -53.068791 where: bonds (distance) C4'-P energy: -8.000 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -11.917 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -15.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -164.122469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.122469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.122469 (E_RNA) where: Base-Base interactions energy: -110.447 where: short stacking energy: -39.646 Base-Backbone interact. energy: -0.049 local terms energy: -53.627152 where: bonds (distance) C4'-P energy: -12.291 bonds (distance) P-C4' energy: -11.483 flat angles C4'-P-C4' energy: -14.349 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -11.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -82.852669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.852669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.852669 (E_RNA) where: Base-Base interactions energy: -46.962 where: short stacking energy: -28.160 Base-Backbone interact. energy: -0.067 local terms energy: -35.823932 where: bonds (distance) C4'-P energy: -10.453 bonds (distance) P-C4' energy: -11.531 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -3.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -59.347928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.347928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.347928 (E_RNA) where: Base-Base interactions energy: -20.249 where: short stacking energy: -18.573 Base-Backbone interact. energy: -0.353 local terms energy: -38.746218 where: bonds (distance) C4'-P energy: -7.570 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -8.856 flat angles P-C4'-P energy: -2.340 tors. eta vs tors. theta energy: -6.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -69.879957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.879957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.879957 (E_RNA) where: Base-Base interactions energy: -27.024 where: short stacking energy: -17.899 Base-Backbone interact. energy: -0.191 local terms energy: -42.664783 where: bonds (distance) C4'-P energy: -11.665 bonds (distance) P-C4' energy: -13.095 flat angles C4'-P-C4' energy: -9.950 flat angles P-C4'-P energy: -6.770 tors. eta vs tors. theta energy: -1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -200.806541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.806541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.806541 (E_RNA) where: Base-Base interactions energy: -135.944 where: short stacking energy: -49.692 Base-Backbone interact. energy: 0.035 local terms energy: -64.897521 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -14.606 flat angles P-C4'-P energy: -7.796 tors. eta vs tors. theta energy: -16.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -178.858728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.858728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.858728 (E_RNA) where: Base-Base interactions energy: -121.690 where: short stacking energy: -49.022 Base-Backbone interact. energy: -0.710 local terms energy: -56.458979 where: bonds (distance) C4'-P energy: -7.248 bonds (distance) P-C4' energy: -12.147 flat angles C4'-P-C4' energy: -13.606 flat angles P-C4'-P energy: -8.776 tors. eta vs tors. theta energy: -14.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -187.123547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.123547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.123547 (E_RNA) where: Base-Base interactions energy: -129.495 where: short stacking energy: -50.632 Base-Backbone interact. energy: -0.001 local terms energy: -57.627831 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -10.452 flat angles C4'-P-C4' energy: -11.278 flat angles P-C4'-P energy: -7.855 tors. eta vs tors. theta energy: -16.009 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: 5 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -178.973745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.973745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.973745 (E_RNA) where: Base-Base interactions energy: -123.009 where: short stacking energy: -45.564 Base-Backbone interact. energy: -0.265 local terms energy: -55.699896 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -9.777 flat angles C4'-P-C4' energy: -12.472 flat angles P-C4'-P energy: -7.355 tors. eta vs tors. theta energy: -13.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -176.718289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.718289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.718289 (E_RNA) where: Base-Base interactions energy: -117.104 where: short stacking energy: -46.613 Base-Backbone interact. energy: -0.079 local terms energy: -59.535661 where: bonds (distance) C4'-P energy: -11.160 bonds (distance) P-C4' energy: -12.962 flat angles C4'-P-C4' energy: -12.164 flat angles P-C4'-P energy: -9.544 tors. eta vs tors. theta energy: -13.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -171.641430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.641430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.641430 (E_RNA) where: Base-Base interactions energy: -118.339 where: short stacking energy: -44.905 Base-Backbone interact. energy: -0.172 local terms energy: -53.129789 where: bonds (distance) C4'-P energy: -11.205 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -11.538 flat angles P-C4'-P energy: -8.762 tors. eta vs tors. theta energy: -11.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -174.025618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.025618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.025618 (E_RNA) where: Base-Base interactions energy: -122.679 where: short stacking energy: -55.109 Base-Backbone interact. energy: -0.074 local terms energy: -51.272688 where: bonds (distance) C4'-P energy: -4.966 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -12.631 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -13.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -70.088360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.088360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.088360 (E_RNA) where: Base-Base interactions energy: -24.219 where: short stacking energy: -21.984 Base-Backbone interact. energy: -0.046 local terms energy: -45.823112 where: bonds (distance) C4'-P energy: -12.439 bonds (distance) P-C4' energy: -11.384 flat angles C4'-P-C4' energy: -9.934 flat angles P-C4'-P energy: -9.239 tors. eta vs tors. theta energy: -2.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -67.407887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.407887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.407887 (E_RNA) where: Base-Base interactions energy: -24.420 where: short stacking energy: -24.420 Base-Backbone interact. energy: 0.853 local terms energy: -43.840216 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -9.953 flat angles C4'-P-C4' energy: -11.872 flat angles P-C4'-P energy: -6.205 tors. eta vs tors. theta energy: -3.364 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: 10 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -62.537451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.537451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.537451 (E_RNA) where: Base-Base interactions energy: -23.734 where: short stacking energy: -12.320 Base-Backbone interact. energy: -0.207 local terms energy: -38.596859 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -10.915 flat angles P-C4'-P energy: -10.526 tors. eta vs tors. theta energy: 1.835 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: 2 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -187.228027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.228027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.228027 (E_RNA) where: Base-Base interactions energy: -128.186 where: short stacking energy: -48.252 Base-Backbone interact. energy: -0.454 local terms energy: -58.588189 where: bonds (distance) C4'-P energy: -12.137 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -11.684 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: -15.487 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: 346 Temperature: 0.950000 Total energy: -197.228284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.228284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.228284 (E_RNA) where: Base-Base interactions energy: -133.493 where: short stacking energy: -50.018 Base-Backbone interact. energy: 0.621 local terms energy: -64.356648 where: bonds (distance) C4'-P energy: -12.390 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -14.322 flat angles P-C4'-P energy: -9.465 tors. eta vs tors. theta energy: -15.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -182.675202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.675202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.675202 (E_RNA) where: Base-Base interactions energy: -125.730 where: short stacking energy: -47.366 Base-Backbone interact. energy: -0.000 local terms energy: -56.945153 where: bonds (distance) C4'-P energy: -14.315 bonds (distance) P-C4' energy: -11.916 flat angles C4'-P-C4' energy: -12.561 flat angles P-C4'-P energy: -7.557 tors. eta vs tors. theta energy: -10.596 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: 5 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -182.519751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.519751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.519751 (E_RNA) where: Base-Base interactions energy: -120.457 where: short stacking energy: -51.133 Base-Backbone interact. energy: -0.145 local terms energy: -61.917473 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -11.962 flat angles C4'-P-C4' energy: -10.871 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -15.764 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: 346 Temperature: 1.100000 Total energy: -174.949555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.949555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.949555 (E_RNA) where: Base-Base interactions energy: -120.481 where: short stacking energy: -49.879 Base-Backbone interact. energy: -0.445 local terms energy: -54.023431 where: bonds (distance) C4'-P energy: -12.870 bonds (distance) P-C4' energy: -8.933 flat angles C4'-P-C4' energy: -13.086 flat angles P-C4'-P energy: -7.663 tors. eta vs tors. theta energy: -11.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -174.599406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.599406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.599406 (E_RNA) where: Base-Base interactions energy: -115.180 where: short stacking energy: -50.847 Base-Backbone interact. energy: -0.003 local terms energy: -59.416881 where: bonds (distance) C4'-P energy: -10.031 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -9.378 flat angles P-C4'-P energy: -10.207 tors. eta vs tors. theta energy: -16.526 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: 8 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -174.166244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.166244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.166244 (E_RNA) where: Base-Base interactions energy: -110.323 where: short stacking energy: -46.138 Base-Backbone interact. energy: -0.714 local terms energy: -63.129497 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -12.556 flat angles C4'-P-C4' energy: -11.450 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -17.334 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: 4 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -80.014514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.014514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.014514 (E_RNA) where: Base-Base interactions energy: -49.613 where: short stacking energy: -22.598 Base-Backbone interact. energy: -0.127 local terms energy: -30.274769 where: bonds (distance) C4'-P energy: -8.829 bonds (distance) P-C4' energy: -13.283 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -2.169 tors. eta vs tors. theta energy: 0.776 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: 10 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -79.570385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.570385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.570385 (E_RNA) where: Base-Base interactions energy: -34.154 where: short stacking energy: -24.361 Base-Backbone interact. energy: -0.006 local terms energy: -45.410306 where: bonds (distance) C4'-P energy: -11.757 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -2.242 tors. eta vs tors. theta energy: -4.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -60.904917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.904917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.904917 (E_RNA) where: Base-Base interactions energy: -19.291 where: short stacking energy: -17.200 Base-Backbone interact. energy: -0.232 local terms energy: -41.382070 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -13.447 flat angles C4'-P-C4' energy: -12.306 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: 1.246 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: 2 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -197.829786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.829786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.829786 (E_RNA) where: Base-Base interactions energy: -129.511 where: short stacking energy: -54.257 Base-Backbone interact. energy: -1.055 local terms energy: -67.263340 where: bonds (distance) C4'-P energy: -14.919 bonds (distance) P-C4' energy: -13.970 flat angles C4'-P-C4' energy: -12.066 flat angles P-C4'-P energy: -11.115 tors. eta vs tors. theta energy: -15.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -182.034992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.034992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.034992 (E_RNA) where: Base-Base interactions energy: -124.254 where: short stacking energy: -48.386 Base-Backbone interact. energy: -0.047 local terms energy: -57.734392 where: bonds (distance) C4'-P energy: -10.379 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -14.979 flat angles P-C4'-P energy: -6.065 tors. eta vs tors. theta energy: -12.209 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: 1 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -165.054301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.054301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.054301 (E_RNA) where: Base-Base interactions energy: -108.774 where: short stacking energy: -42.589 Base-Backbone interact. energy: -0.106 local terms energy: -56.174917 where: bonds (distance) C4'-P energy: -12.651 bonds (distance) P-C4' energy: -10.802 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -9.142 tors. eta vs tors. theta energy: -10.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -185.791323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.791323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.791323 (E_RNA) where: Base-Base interactions energy: -123.962 where: short stacking energy: -49.811 Base-Backbone interact. energy: -0.004 local terms energy: -61.826116 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -15.114 flat angles C4'-P-C4' energy: -12.857 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -14.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -179.001503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.001503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.001503 (E_RNA) where: Base-Base interactions energy: -127.437 where: short stacking energy: -58.737 Base-Backbone interact. energy: -0.066 local terms energy: -51.498776 where: bonds (distance) C4'-P energy: -8.882 bonds (distance) P-C4' energy: -12.299 flat angles C4'-P-C4' energy: -12.368 flat angles P-C4'-P energy: -2.308 tors. eta vs tors. theta energy: -15.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -179.002596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.002596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.002596 (E_RNA) where: Base-Base interactions energy: -121.705 where: short stacking energy: -50.782 Base-Backbone interact. energy: -0.522 local terms energy: -56.775723 where: bonds (distance) C4'-P energy: -10.247 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -12.767 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -13.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -167.516576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.516576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.516576 (E_RNA) where: Base-Base interactions energy: -113.482 where: short stacking energy: -47.084 Base-Backbone interact. energy: -0.403 local terms energy: -53.631764 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -12.000 flat angles C4'-P-C4' energy: -11.657 flat angles P-C4'-P energy: -8.173 tors. eta vs tors. theta energy: -14.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -70.805453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.805453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.805453 (E_RNA) where: Base-Base interactions energy: -31.796 where: short stacking energy: -27.794 Base-Backbone interact. energy: -0.121 local terms energy: -38.889170 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -11.095 flat angles C4'-P-C4' energy: -9.481 flat angles P-C4'-P energy: -7.232 tors. eta vs tors. theta energy: -2.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -81.046632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.046632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.046632 (E_RNA) where: Base-Base interactions energy: -35.393 where: short stacking energy: -27.420 Base-Backbone interact. energy: 2.028 local terms energy: -47.681830 where: bonds (distance) C4'-P energy: -11.942 bonds (distance) P-C4' energy: -10.545 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -9.317 tors. eta vs tors. theta energy: -8.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -64.216439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.216439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.216439 (E_RNA) where: Base-Base interactions energy: -17.392 where: short stacking energy: -13.178 Base-Backbone interact. energy: -0.031 local terms energy: -46.793380 where: bonds (distance) C4'-P energy: -10.630 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -13.980 flat angles P-C4'-P energy: -9.006 tors. eta vs tors. theta energy: -0.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -186.225589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.225589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.225589 (E_RNA) where: Base-Base interactions energy: -121.479 where: short stacking energy: -44.176 Base-Backbone interact. energy: -0.443 local terms energy: -64.303119 where: bonds (distance) C4'-P energy: -12.990 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -14.712 flat angles P-C4'-P energy: -7.753 tors. eta vs tors. theta energy: -14.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -189.098741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.098741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.098741 (E_RNA) where: Base-Base interactions energy: -127.571 where: short stacking energy: -50.274 Base-Backbone interact. energy: -0.086 local terms energy: -61.441276 where: bonds (distance) C4'-P energy: -11.322 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -12.613 flat angles P-C4'-P energy: -9.365 tors. eta vs tors. theta energy: -15.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -190.280692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.280692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.280692 (E_RNA) where: Base-Base interactions energy: -130.121 where: short stacking energy: -46.971 Base-Backbone interact. energy: -0.096 local terms energy: -60.063696 where: bonds (distance) C4'-P energy: -10.609 bonds (distance) P-C4' energy: -13.874 flat angles C4'-P-C4' energy: -14.614 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -15.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -173.806942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.806942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.806942 (E_RNA) where: Base-Base interactions energy: -113.298 where: short stacking energy: -40.815 Base-Backbone interact. energy: -1.074 local terms energy: -59.435062 where: bonds (distance) C4'-P energy: -8.887 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -12.125 flat angles P-C4'-P energy: -10.452 tors. eta vs tors. theta energy: -13.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -178.047862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.047862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.047862 (E_RNA) where: Base-Base interactions energy: -122.903 where: short stacking energy: -50.519 Base-Backbone interact. energy: 0.024 local terms energy: -55.168939 where: bonds (distance) C4'-P energy: -10.762 bonds (distance) P-C4' energy: -12.144 flat angles C4'-P-C4' energy: -10.128 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -16.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -176.626511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.626511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.626511 (E_RNA) where: Base-Base interactions energy: -120.257 where: short stacking energy: -44.217 Base-Backbone interact. energy: -0.117 local terms energy: -56.252582 where: bonds (distance) C4'-P energy: -10.746 bonds (distance) P-C4' energy: -13.477 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -6.354 tors. eta vs tors. theta energy: -12.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -165.904600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.904600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.904600 (E_RNA) where: Base-Base interactions energy: -114.776 where: short stacking energy: -51.046 Base-Backbone interact. energy: -0.251 local terms energy: -50.877258 where: bonds (distance) C4'-P energy: -9.685 bonds (distance) P-C4' energy: -6.778 flat angles C4'-P-C4' energy: -12.748 flat angles P-C4'-P energy: -6.146 tors. eta vs tors. theta energy: -15.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -78.390628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.390628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.390628 (E_RNA) where: Base-Base interactions energy: -33.861 where: short stacking energy: -33.861 Base-Backbone interact. energy: -0.031 local terms energy: -44.498515 where: bonds (distance) C4'-P energy: -10.245 bonds (distance) P-C4' energy: -13.604 flat angles C4'-P-C4' energy: -10.959 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -4.990 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: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -68.171973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.171973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.171973 (E_RNA) where: Base-Base interactions energy: -23.340 where: short stacking energy: -19.530 Base-Backbone interact. energy: -0.052 local terms energy: -44.779822 where: bonds (distance) C4'-P energy: -12.547 bonds (distance) P-C4' energy: -12.652 flat angles C4'-P-C4' energy: -11.144 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -3.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -67.821052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.821052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.821052 (E_RNA) where: Base-Base interactions energy: -28.773 where: short stacking energy: -22.108 Base-Backbone interact. energy: 1.620 local terms energy: -40.668054 where: bonds (distance) C4'-P energy: -11.997 bonds (distance) P-C4' energy: -8.337 flat angles C4'-P-C4' energy: -9.998 flat angles P-C4'-P energy: -8.234 tors. eta vs tors. theta energy: -2.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -187.123205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.123205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.123205 (E_RNA) where: Base-Base interactions energy: -126.001 where: short stacking energy: -48.624 Base-Backbone interact. energy: -0.001 local terms energy: -61.121525 where: bonds (distance) C4'-P energy: -10.600 bonds (distance) P-C4' energy: -12.295 flat angles C4'-P-C4' energy: -13.187 flat angles P-C4'-P energy: -8.504 tors. eta vs tors. theta energy: -16.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -183.731520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.731520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.731520 (E_RNA) where: Base-Base interactions energy: -126.027 where: short stacking energy: -52.846 Base-Backbone interact. energy: -0.065 local terms energy: -57.639533 where: bonds (distance) C4'-P energy: -8.962 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -8.920 tors. eta vs tors. theta energy: -10.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -179.901386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.901386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.901386 (E_RNA) where: Base-Base interactions energy: -116.385 where: short stacking energy: -48.015 Base-Backbone interact. energy: -0.001 local terms energy: -63.515206 where: bonds (distance) C4'-P energy: -12.899 bonds (distance) P-C4' energy: -12.816 flat angles C4'-P-C4' energy: -13.124 flat angles P-C4'-P energy: -10.451 tors. eta vs tors. theta energy: -14.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -177.446981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.446981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.446981 (E_RNA) where: Base-Base interactions energy: -120.901 where: short stacking energy: -54.805 Base-Backbone interact. energy: -0.093 local terms energy: -56.452960 where: bonds (distance) C4'-P energy: -13.111 bonds (distance) P-C4' energy: -11.099 flat angles C4'-P-C4' energy: -10.384 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: -13.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -178.944066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.944066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.944066 (E_RNA) where: Base-Base interactions energy: -117.865 where: short stacking energy: -47.246 Base-Backbone interact. energy: 0.746 local terms energy: -61.825422 where: bonds (distance) C4'-P energy: -10.249 bonds (distance) P-C4' energy: -10.510 flat angles C4'-P-C4' energy: -14.852 flat angles P-C4'-P energy: -10.197 tors. eta vs tors. theta energy: -16.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -172.194187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.194187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.194187 (E_RNA) where: Base-Base interactions energy: -113.924 where: short stacking energy: -42.091 Base-Backbone interact. energy: -0.014 local terms energy: -58.256726 where: bonds (distance) C4'-P energy: -12.282 bonds (distance) P-C4' energy: -12.883 flat angles C4'-P-C4' energy: -12.469 flat angles P-C4'-P energy: -6.140 tors. eta vs tors. theta energy: -14.483 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: 349 Temperature: 1.200000 Total energy: -160.275794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.275794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.275794 (E_RNA) where: Base-Base interactions energy: -100.410 where: short stacking energy: -43.767 Base-Backbone interact. energy: -0.006 local terms energy: -59.860334 where: bonds (distance) C4'-P energy: -14.716 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -11.463 flat angles P-C4'-P energy: -8.169 tors. eta vs tors. theta energy: -13.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -72.952410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.952410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.952410 (E_RNA) where: Base-Base interactions energy: -29.148 where: short stacking energy: -22.857 Base-Backbone interact. energy: -0.062 local terms energy: -43.743245 where: bonds (distance) C4'-P energy: -8.663 bonds (distance) P-C4' energy: -15.277 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -8.004 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: 9, replica: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -78.825697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.825697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.825697 (E_RNA) where: Base-Base interactions energy: -48.538 where: short stacking energy: -22.810 Base-Backbone interact. energy: 0.541 local terms energy: -30.827783 where: bonds (distance) C4'-P energy: -12.961 bonds (distance) P-C4' energy: -9.834 flat angles C4'-P-C4' energy: -7.889 flat angles P-C4'-P energy: -0.916 tors. eta vs tors. theta energy: 0.772 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: 349 Temperature: 1.350000 Total energy: -56.795677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.795677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.795677 (E_RNA) where: Base-Base interactions energy: -19.241 where: short stacking energy: -17.843 Base-Backbone interact. energy: -0.770 local terms energy: -36.784752 where: bonds (distance) C4'-P energy: -6.412 bonds (distance) P-C4' energy: -12.913 flat angles C4'-P-C4' energy: -10.835 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 0.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -187.906119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.906119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.906119 (E_RNA) where: Base-Base interactions energy: -123.264 where: short stacking energy: -49.095 Base-Backbone interact. energy: -0.050 local terms energy: -64.591417 where: bonds (distance) C4'-P energy: -12.476 bonds (distance) P-C4' energy: -12.825 flat angles C4'-P-C4' energy: -13.073 flat angles P-C4'-P energy: -10.267 tors. eta vs tors. theta energy: -15.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -193.032230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.032230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.032230 (E_RNA) where: Base-Base interactions energy: -130.480 where: short stacking energy: -47.553 Base-Backbone interact. energy: -0.100 local terms energy: -62.451751 where: bonds (distance) C4'-P energy: -13.797 bonds (distance) P-C4' energy: -11.754 flat angles C4'-P-C4' energy: -12.205 flat angles P-C4'-P energy: -11.037 tors. eta vs tors. theta energy: -13.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -178.881888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.881888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.881888 (E_RNA) where: Base-Base interactions energy: -119.533 where: short stacking energy: -46.519 Base-Backbone interact. energy: -0.253 local terms energy: -59.095792 where: bonds (distance) C4'-P energy: -12.583 bonds (distance) P-C4' energy: -12.031 flat angles C4'-P-C4' energy: -11.672 flat angles P-C4'-P energy: -9.175 tors. eta vs tors. theta energy: -13.634 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: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -183.096382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.096382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.096382 (E_RNA) where: Base-Base interactions energy: -121.882 where: short stacking energy: -50.610 Base-Backbone interact. energy: -0.029 local terms energy: -61.186315 where: bonds (distance) C4'-P energy: -9.277 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -14.277 flat angles P-C4'-P energy: -7.868 tors. eta vs tors. theta energy: -16.996 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: 5, replica: 1 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -177.816678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.816678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.816678 (E_RNA) where: Base-Base interactions energy: -122.661 where: short stacking energy: -42.391 Base-Backbone interact. energy: -0.534 local terms energy: -54.622532 where: bonds (distance) C4'-P energy: -12.130 bonds (distance) P-C4' energy: -10.504 flat angles C4'-P-C4' energy: -8.313 flat angles P-C4'-P energy: -9.372 tors. eta vs tors. theta energy: -14.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -162.686913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.686913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.686913 (E_RNA) where: Base-Base interactions energy: -112.910 where: short stacking energy: -47.826 Base-Backbone interact. energy: -0.149 local terms energy: -49.628234 where: bonds (distance) C4'-P energy: -8.375 bonds (distance) P-C4' energy: -9.138 flat angles C4'-P-C4' energy: -11.791 flat angles P-C4'-P energy: -6.186 tors. eta vs tors. theta energy: -14.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -170.645938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.645938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.645938 (E_RNA) where: Base-Base interactions energy: -113.374 where: short stacking energy: -51.233 Base-Backbone interact. energy: -1.067 local terms energy: -56.205349 where: bonds (distance) C4'-P energy: -13.192 bonds (distance) P-C4' energy: -12.048 flat angles C4'-P-C4' energy: -10.946 flat angles P-C4'-P energy: -7.236 tors. eta vs tors. theta energy: -12.783 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: 8, replica: 7 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -71.475407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.475407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.475407 (E_RNA) where: Base-Base interactions energy: -28.290 where: short stacking energy: -25.189 Base-Backbone interact. energy: -0.050 local terms energy: -43.135317 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -10.905 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -72.115847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.115847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.115847 (E_RNA) where: Base-Base interactions energy: -34.750 where: short stacking energy: -22.369 Base-Backbone interact. energy: -0.115 local terms energy: -37.250595 where: bonds (distance) C4'-P energy: -8.828 bonds (distance) P-C4' energy: -13.617 flat angles C4'-P-C4' energy: -10.385 flat angles P-C4'-P energy: -2.220 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: 10 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -65.013442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.013442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.013442 (E_RNA) where: Base-Base interactions energy: -22.902 where: short stacking energy: -22.902 Base-Backbone interact. energy: 0.381 local terms energy: -42.491735 where: bonds (distance) C4'-P energy: -9.695 bonds (distance) P-C4' energy: -11.027 flat angles C4'-P-C4' energy: -10.674 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -6.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -186.730501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.730501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.730501 (E_RNA) where: Base-Base interactions energy: -126.795 where: short stacking energy: -55.983 Base-Backbone interact. energy: -0.054 local terms energy: -59.882183 where: bonds (distance) C4'-P energy: -7.909 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -13.221 flat angles P-C4'-P energy: -9.626 tors. eta vs tors. theta energy: -13.843 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: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -183.866783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.866783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.866783 (E_RNA) where: Base-Base interactions energy: -123.411 where: short stacking energy: -48.711 Base-Backbone interact. energy: -1.596 local terms energy: -58.859394 where: bonds (distance) C4'-P energy: -8.842 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -11.494 flat angles P-C4'-P energy: -9.558 tors. eta vs tors. theta energy: -15.430 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: 3, replica: 9 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -184.117397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.117397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.117397 (E_RNA) where: Base-Base interactions energy: -125.047 where: short stacking energy: -49.079 Base-Backbone interact. energy: -0.154 local terms energy: -58.916175 where: bonds (distance) C4'-P energy: -10.921 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -13.500 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -15.851 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: 351 Temperature: 1.050000 Total energy: -183.901240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.901240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.901240 (E_RNA) where: Base-Base interactions energy: -123.938 where: short stacking energy: -50.875 Base-Backbone interact. energy: -0.889 local terms energy: -59.073346 where: bonds (distance) C4'-P energy: -10.324 bonds (distance) P-C4' energy: -11.941 flat angles C4'-P-C4' energy: -13.236 flat angles P-C4'-P energy: -10.680 tors. eta vs tors. theta energy: -12.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -181.737889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.737889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.737889 (E_RNA) where: Base-Base interactions energy: -130.124 where: short stacking energy: -49.649 Base-Backbone interact. energy: -0.077 local terms energy: -51.536555 where: bonds (distance) C4'-P energy: -8.241 bonds (distance) P-C4' energy: -11.678 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -6.232 tors. eta vs tors. theta energy: -12.099 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: 8 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -168.619695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.619695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.619695 (E_RNA) where: Base-Base interactions energy: -112.280 where: short stacking energy: -42.348 Base-Backbone interact. energy: -0.188 local terms energy: -56.151855 where: bonds (distance) C4'-P energy: -11.774 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -10.284 flat angles P-C4'-P energy: -8.026 tors. eta vs tors. theta energy: -12.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -172.486627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.486627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.486627 (E_RNA) where: Base-Base interactions energy: -116.110 where: short stacking energy: -51.046 Base-Backbone interact. energy: -0.005 local terms energy: -56.372353 where: bonds (distance) C4'-P energy: -11.809 bonds (distance) P-C4' energy: -9.160 flat angles C4'-P-C4' energy: -12.108 flat angles P-C4'-P energy: -8.275 tors. eta vs tors. theta energy: -15.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -80.748025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.748025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.748025 (E_RNA) where: Base-Base interactions energy: -35.864 where: short stacking energy: -17.990 Base-Backbone interact. energy: -1.008 local terms energy: -43.875669 where: bonds (distance) C4'-P energy: -10.585 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -8.730 flat angles P-C4'-P energy: -7.295 tors. eta vs tors. theta energy: -1.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -79.574120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.574120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.574120 (E_RNA) where: Base-Base interactions energy: -38.469 where: short stacking energy: -23.505 Base-Backbone interact. energy: -0.148 local terms energy: -40.957061 where: bonds (distance) C4'-P energy: -8.381 bonds (distance) P-C4' energy: -10.743 flat angles C4'-P-C4' energy: -11.503 flat angles P-C4'-P energy: -7.542 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: 10 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -57.745752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.745752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.745752 (E_RNA) where: Base-Base interactions energy: -19.696 where: short stacking energy: -20.057 Base-Backbone interact. energy: -0.946 local terms energy: -37.103728 where: bonds (distance) C4'-P energy: -8.651 bonds (distance) P-C4' energy: -7.570 flat angles C4'-P-C4' energy: -10.626 flat angles P-C4'-P energy: -6.203 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -190.610976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.610976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.610976 (E_RNA) where: Base-Base interactions energy: -130.093 where: short stacking energy: -51.486 Base-Backbone interact. energy: 0.252 local terms energy: -60.769685 where: bonds (distance) C4'-P energy: -12.522 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -9.456 flat angles P-C4'-P energy: -10.440 tors. eta vs tors. theta energy: -14.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -187.532294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.532294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.532294 (E_RNA) where: Base-Base interactions energy: -126.835 where: short stacking energy: -53.267 Base-Backbone interact. energy: 0.105 local terms energy: -60.802345 where: bonds (distance) C4'-P energy: -11.413 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -12.330 flat angles P-C4'-P energy: -9.218 tors. eta vs tors. theta energy: -13.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -179.398397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.398397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.398397 (E_RNA) where: Base-Base interactions energy: -118.274 where: short stacking energy: -50.214 Base-Backbone interact. energy: -0.001 local terms energy: -61.122992 where: bonds (distance) C4'-P energy: -11.475 bonds (distance) P-C4' energy: -12.275 flat angles C4'-P-C4' energy: -11.688 flat angles P-C4'-P energy: -10.051 tors. eta vs tors. theta energy: -15.634 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: 352 Temperature: 1.050000 Total energy: -180.381604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.381604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.381604 (E_RNA) where: Base-Base interactions energy: -121.064 where: short stacking energy: -45.456 Base-Backbone interact. energy: -0.268 local terms energy: -59.050091 where: bonds (distance) C4'-P energy: -11.900 bonds (distance) P-C4' energy: -13.371 flat angles C4'-P-C4' energy: -12.095 flat angles P-C4'-P energy: -7.048 tors. eta vs tors. theta energy: -14.635 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: 352 Temperature: 1.100000 Total energy: -178.639352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.639352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.639352 (E_RNA) where: Base-Base interactions energy: -124.352 where: short stacking energy: -51.797 Base-Backbone interact. energy: -0.020 local terms energy: -54.267685 where: bonds (distance) C4'-P energy: -11.099 bonds (distance) P-C4' energy: -12.281 flat angles C4'-P-C4' energy: -12.847 flat angles P-C4'-P energy: -4.745 tors. eta vs tors. theta energy: -13.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -172.989837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.989837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.989837 (E_RNA) where: Base-Base interactions energy: -117.568 where: short stacking energy: -49.787 Base-Backbone interact. energy: -0.599 local terms energy: -54.822926 where: bonds (distance) C4'-P energy: -9.869 bonds (distance) P-C4' energy: -11.348 flat angles C4'-P-C4' energy: -11.028 flat angles P-C4'-P energy: -9.237 tors. eta vs tors. theta energy: -13.340 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: 352 Temperature: 1.200000 Total energy: -173.973406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.973406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.973406 (E_RNA) where: Base-Base interactions energy: -120.386 where: short stacking energy: -42.868 Base-Backbone interact. energy: -0.004 local terms energy: -53.583901 where: bonds (distance) C4'-P energy: -10.170 bonds (distance) P-C4' energy: -10.740 flat angles C4'-P-C4' energy: -10.166 flat angles P-C4'-P energy: -9.391 tors. eta vs tors. theta energy: -13.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -80.669507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.669507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.669507 (E_RNA) where: Base-Base interactions energy: -30.520 where: short stacking energy: -28.969 Base-Backbone interact. energy: -0.186 local terms energy: -49.963446 where: bonds (distance) C4'-P energy: -13.831 bonds (distance) P-C4' energy: -11.610 flat angles C4'-P-C4' energy: -11.547 flat angles P-C4'-P energy: -8.021 tors. eta vs tors. theta energy: -4.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -69.721731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.721731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.721731 (E_RNA) where: Base-Base interactions energy: -27.527 where: short stacking energy: -17.675 Base-Backbone interact. energy: -0.306 local terms energy: -41.889103 where: bonds (distance) C4'-P energy: -11.347 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -12.698 flat angles P-C4'-P energy: -6.572 tors. eta vs tors. theta energy: 1.813 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: 352 Temperature: 1.350000 Total energy: -54.660524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.660524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.660524 (E_RNA) where: Base-Base interactions energy: -15.253 where: short stacking energy: -9.970 Base-Backbone interact. energy: 0.616 local terms energy: -40.024256 where: bonds (distance) C4'-P energy: -9.317 bonds (distance) P-C4' energy: -11.284 flat angles C4'-P-C4' energy: -12.043 flat angles P-C4'-P energy: -10.019 tors. eta vs tors. theta energy: 2.639 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: 1, replica: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -189.788066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.788066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.788066 (E_RNA) where: Base-Base interactions energy: -133.217 where: short stacking energy: -48.230 Base-Backbone interact. energy: -0.450 local terms energy: -56.121133 where: bonds (distance) C4'-P energy: -13.610 bonds (distance) P-C4' energy: -11.987 flat angles C4'-P-C4' energy: -11.352 flat angles P-C4'-P energy: -8.132 tors. eta vs tors. theta energy: -11.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -184.772393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.772393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.772393 (E_RNA) where: Base-Base interactions energy: -122.824 where: short stacking energy: -47.233 Base-Backbone interact. energy: -0.412 local terms energy: -61.535962 where: bonds (distance) C4'-P energy: -12.655 bonds (distance) P-C4' energy: -13.442 flat angles C4'-P-C4' energy: -12.097 flat angles P-C4'-P energy: -7.371 tors. eta vs tors. theta energy: -15.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -181.617489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.617489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.617489 (E_RNA) where: Base-Base interactions energy: -117.592 where: short stacking energy: -49.359 Base-Backbone interact. energy: -0.004 local terms energy: -64.021864 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -13.800 flat angles P-C4'-P energy: -10.615 tors. eta vs tors. theta energy: -13.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -175.612811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.612811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.612811 (E_RNA) where: Base-Base interactions energy: -119.018 where: short stacking energy: -49.180 Base-Backbone interact. energy: -0.079 local terms energy: -56.515502 where: bonds (distance) C4'-P energy: -11.234 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -12.131 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -13.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -177.316906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.316906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.316906 (E_RNA) where: Base-Base interactions energy: -121.906 where: short stacking energy: -52.040 Base-Backbone interact. energy: -0.016 local terms energy: -55.395028 where: bonds (distance) C4'-P energy: -8.402 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -11.522 flat angles P-C4'-P energy: -7.583 tors. eta vs tors. theta energy: -14.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -174.577736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.577736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.577736 (E_RNA) where: Base-Base interactions energy: -120.318 where: short stacking energy: -45.049 Base-Backbone interact. energy: -0.065 local terms energy: -54.194360 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -9.943 flat angles C4'-P-C4' energy: -12.610 flat angles P-C4'-P energy: -8.764 tors. eta vs tors. theta energy: -15.964 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: 2 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -169.729086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.729086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.729086 (E_RNA) where: Base-Base interactions energy: -115.263 where: short stacking energy: -39.328 Base-Backbone interact. energy: -0.330 local terms energy: -54.135868 where: bonds (distance) C4'-P energy: -10.539 bonds (distance) P-C4' energy: -11.429 flat angles C4'-P-C4' energy: -10.948 flat angles P-C4'-P energy: -9.217 tors. eta vs tors. theta energy: -12.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -68.815902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.815902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.815902 (E_RNA) where: Base-Base interactions energy: -26.571 where: short stacking energy: -21.019 Base-Backbone interact. energy: -0.029 local terms energy: -42.216368 where: bonds (distance) C4'-P energy: -9.388 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -8.722 flat angles P-C4'-P energy: -7.500 tors. eta vs tors. theta energy: -3.258 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: 4 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -65.718961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.718961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.718961 (E_RNA) where: Base-Base interactions energy: -19.796 where: short stacking energy: -19.796 Base-Backbone interact. energy: 0.195 local terms energy: -46.118602 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -12.042 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: -1.808 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: 353 Temperature: 1.350000 Total energy: -63.622862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.622862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.622862 (E_RNA) where: Base-Base interactions energy: -21.549 where: short stacking energy: -21.156 Base-Backbone interact. energy: -0.096 local terms energy: -41.977073 where: bonds (distance) C4'-P energy: -11.614 bonds (distance) P-C4' energy: -10.285 flat angles C4'-P-C4' energy: -8.476 flat angles P-C4'-P energy: -7.804 tors. eta vs tors. theta energy: -3.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -187.611658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.611658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.611658 (E_RNA) where: Base-Base interactions energy: -125.516 where: short stacking energy: -50.761 Base-Backbone interact. energy: -0.508 local terms energy: -61.586756 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -12.527 flat angles P-C4'-P energy: -7.037 tors. eta vs tors. theta energy: -17.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -179.874326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.874326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.874326 (E_RNA) where: Base-Base interactions energy: -116.225 where: short stacking energy: -41.414 Base-Backbone interact. energy: -0.475 local terms energy: -63.174231 where: bonds (distance) C4'-P energy: -9.971 bonds (distance) P-C4' energy: -13.094 flat angles C4'-P-C4' energy: -14.332 flat angles P-C4'-P energy: -10.761 tors. eta vs tors. theta energy: -15.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -190.916027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.916027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.916027 (E_RNA) where: Base-Base interactions energy: -125.840 where: short stacking energy: -47.525 Base-Backbone interact. energy: -1.036 local terms energy: -64.040425 where: bonds (distance) C4'-P energy: -10.574 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -13.433 flat angles P-C4'-P energy: -11.175 tors. eta vs tors. theta energy: -15.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -181.287760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.287760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.287760 (E_RNA) where: Base-Base interactions energy: -124.065 where: short stacking energy: -48.594 Base-Backbone interact. energy: -0.920 local terms energy: -56.303228 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -13.187 flat angles C4'-P-C4' energy: -10.502 flat angles P-C4'-P energy: -9.091 tors. eta vs tors. theta energy: -15.680 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: 5, replica: 6 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -173.940413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.940413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.940413 (E_RNA) where: Base-Base interactions energy: -119.756 where: short stacking energy: -44.222 Base-Backbone interact. energy: -0.029 local terms energy: -54.155707 where: bonds (distance) C4'-P energy: -11.790 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -12.092 flat angles P-C4'-P energy: -5.368 tors. eta vs tors. theta energy: -10.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -176.130168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.130168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.130168 (E_RNA) where: Base-Base interactions energy: -119.683 where: short stacking energy: -49.056 Base-Backbone interact. energy: -0.001 local terms energy: -56.445570 where: bonds (distance) C4'-P energy: -11.905 bonds (distance) P-C4' energy: -11.152 flat angles C4'-P-C4' energy: -11.982 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: -15.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -169.459190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.459190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.459190 (E_RNA) where: Base-Base interactions energy: -115.204 where: short stacking energy: -46.450 Base-Backbone interact. energy: -0.016 local terms energy: -54.238935 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -13.380 flat angles P-C4'-P energy: -7.612 tors. eta vs tors. theta energy: -11.904 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: 8, replica: 10 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -78.707391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.707391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.707391 (E_RNA) where: Base-Base interactions energy: -36.509 where: short stacking energy: -21.280 Base-Backbone interact. energy: -0.078 local terms energy: -42.119832 where: bonds (distance) C4'-P energy: -12.680 bonds (distance) P-C4' energy: -14.303 flat angles C4'-P-C4' energy: -8.354 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -2.599 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: 9, replica: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -68.963043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.963043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.963043 (E_RNA) where: Base-Base interactions energy: -28.462 where: short stacking energy: -27.798 Base-Backbone interact. energy: -0.016 local terms energy: -40.484969 where: bonds (distance) C4'-P energy: -10.134 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -7.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -63.950884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.950884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.950884 (E_RNA) where: Base-Base interactions energy: -25.979 where: short stacking energy: -22.902 Base-Backbone interact. energy: -0.014 local terms energy: -37.958239 where: bonds (distance) C4'-P energy: -10.880 bonds (distance) P-C4' energy: -10.259 flat angles C4'-P-C4' energy: -11.263 flat angles P-C4'-P energy: -6.774 tors. eta vs tors. theta energy: 1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -187.495084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.495084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.495084 (E_RNA) where: Base-Base interactions energy: -126.277 where: short stacking energy: -46.206 Base-Backbone interact. energy: 1.797 local terms energy: -63.014992 where: bonds (distance) C4'-P energy: -13.080 bonds (distance) P-C4' energy: -13.178 flat angles C4'-P-C4' energy: -14.317 flat angles P-C4'-P energy: -10.447 tors. eta vs tors. theta energy: -11.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -182.764297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.764297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.764297 (E_RNA) where: Base-Base interactions energy: -129.530 where: short stacking energy: -54.297 Base-Backbone interact. energy: -0.266 local terms energy: -52.968432 where: bonds (distance) C4'-P energy: -10.581 bonds (distance) P-C4' energy: -10.650 flat angles C4'-P-C4' energy: -12.110 flat angles P-C4'-P energy: -5.994 tors. eta vs tors. theta energy: -13.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -177.858681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.858681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.858681 (E_RNA) where: Base-Base interactions energy: -123.284 where: short stacking energy: -48.407 Base-Backbone interact. energy: -0.142 local terms energy: -54.433380 where: bonds (distance) C4'-P energy: -11.049 bonds (distance) P-C4' energy: -10.522 flat angles C4'-P-C4' energy: -9.950 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -15.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -187.317106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.317106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.317106 (E_RNA) where: Base-Base interactions energy: -126.885 where: short stacking energy: -49.958 Base-Backbone interact. energy: -0.154 local terms energy: -60.278651 where: bonds (distance) C4'-P energy: -11.321 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -14.145 flat angles P-C4'-P energy: -5.992 tors. eta vs tors. theta energy: -15.518 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: 5, replica: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -176.277472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.277472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.277472 (E_RNA) where: Base-Base interactions energy: -122.462 where: short stacking energy: -51.949 Base-Backbone interact. energy: -0.295 local terms energy: -53.520982 where: bonds (distance) C4'-P energy: -10.631 bonds (distance) P-C4' energy: -10.527 flat angles C4'-P-C4' energy: -12.142 flat angles P-C4'-P energy: -5.973 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: 6, replica: 2 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -176.122462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.122462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.122462 (E_RNA) where: Base-Base interactions energy: -116.823 where: short stacking energy: -48.934 Base-Backbone interact. energy: -0.003 local terms energy: -59.296025 where: bonds (distance) C4'-P energy: -12.205 bonds (distance) P-C4' energy: -9.303 flat angles C4'-P-C4' energy: -12.097 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -16.569 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: 7, replica: 9 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -167.892157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.892157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.892157 (E_RNA) where: Base-Base interactions energy: -114.267 where: short stacking energy: -45.097 Base-Backbone interact. energy: -0.014 local terms energy: -53.611347 where: bonds (distance) C4'-P energy: -10.681 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -10.852 flat angles P-C4'-P energy: -6.711 tors. eta vs tors. theta energy: -12.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -77.804510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.804510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.804510 (E_RNA) where: Base-Base interactions energy: -47.392 where: short stacking energy: -24.464 Base-Backbone interact. energy: -0.640 local terms energy: -29.772000 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -11.545 flat angles C4'-P-C4' energy: -8.528 flat angles P-C4'-P energy: 1.541 tors. eta vs tors. theta energy: -2.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -62.006263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.006263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.006263 (E_RNA) where: Base-Base interactions energy: -19.973 where: short stacking energy: -17.112 Base-Backbone interact. energy: -0.138 local terms energy: -41.896013 where: bonds (distance) C4'-P energy: -12.287 bonds (distance) P-C4' energy: -13.284 flat angles C4'-P-C4' energy: -11.740 flat angles P-C4'-P energy: -7.042 tors. eta vs tors. theta energy: 2.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -63.474959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.474959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.474959 (E_RNA) where: Base-Base interactions energy: -19.921 where: short stacking energy: -14.713 Base-Backbone interact. energy: -0.060 local terms energy: -43.493396 where: bonds (distance) C4'-P energy: -12.990 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -9.522 flat angles P-C4'-P energy: -5.889 tors. eta vs tors. theta energy: -2.035 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: 5 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -190.635169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.635169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.635169 (E_RNA) where: Base-Base interactions energy: -128.604 where: short stacking energy: -51.095 Base-Backbone interact. energy: -0.577 local terms energy: -61.454663 where: bonds (distance) C4'-P energy: -12.485 bonds (distance) P-C4' energy: -12.545 flat angles C4'-P-C4' energy: -13.730 flat angles P-C4'-P energy: -10.282 tors. eta vs tors. theta energy: -12.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -189.228222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.228222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.228222 (E_RNA) where: Base-Base interactions energy: -130.854 where: short stacking energy: -47.691 Base-Backbone interact. energy: -0.404 local terms energy: -57.969437 where: bonds (distance) C4'-P energy: -13.934 bonds (distance) P-C4' energy: -13.754 flat angles C4'-P-C4' energy: -10.903 flat angles P-C4'-P energy: -7.397 tors. eta vs tors. theta energy: -11.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -187.126564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.126564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.126564 (E_RNA) where: Base-Base interactions energy: -124.803 where: short stacking energy: -46.062 Base-Backbone interact. energy: -0.076 local terms energy: -62.247216 where: bonds (distance) C4'-P energy: -13.747 bonds (distance) P-C4' energy: -12.693 flat angles C4'-P-C4' energy: -13.926 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: -15.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -180.100723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.100723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.100723 (E_RNA) where: Base-Base interactions energy: -118.276 where: short stacking energy: -46.462 Base-Backbone interact. energy: -0.000 local terms energy: -61.824885 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -11.083 flat angles C4'-P-C4' energy: -12.058 flat angles P-C4'-P energy: -8.896 tors. eta vs tors. theta energy: -16.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -182.422903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.422903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.422903 (E_RNA) where: Base-Base interactions energy: -125.636 where: short stacking energy: -49.669 Base-Backbone interact. energy: -0.029 local terms energy: -56.758069 where: bonds (distance) C4'-P energy: -11.997 bonds (distance) P-C4' energy: -9.721 flat angles C4'-P-C4' energy: -13.755 flat angles P-C4'-P energy: -5.685 tors. eta vs tors. theta energy: -15.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -169.932476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.932476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.932476 (E_RNA) where: Base-Base interactions energy: -112.293 where: short stacking energy: -47.403 Base-Backbone interact. energy: -0.910 local terms energy: -56.729258 where: bonds (distance) C4'-P energy: -12.579 bonds (distance) P-C4' energy: -8.995 flat angles C4'-P-C4' energy: -11.407 flat angles P-C4'-P energy: -10.751 tors. eta vs tors. theta energy: -12.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -141.537863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.537863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.537863 (E_RNA) where: Base-Base interactions energy: -91.771 where: short stacking energy: -41.118 Base-Backbone interact. energy: -0.025 local terms energy: -49.741570 where: bonds (distance) C4'-P energy: -12.745 bonds (distance) P-C4' energy: -10.552 flat angles C4'-P-C4' energy: -13.236 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -6.968 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: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -75.270884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.270884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.270884 (E_RNA) where: Base-Base interactions energy: -31.251 where: short stacking energy: -24.608 Base-Backbone interact. energy: 2.045 local terms energy: -46.064773 where: bonds (distance) C4'-P energy: -8.587 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -11.145 flat angles P-C4'-P energy: -9.165 tors. eta vs tors. theta energy: -6.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -68.333652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.333652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.333652 (E_RNA) where: Base-Base interactions energy: -32.827 where: short stacking energy: -21.008 Base-Backbone interact. energy: -0.059 local terms energy: -35.448004 where: bonds (distance) C4'-P energy: -6.729 bonds (distance) P-C4' energy: -10.387 flat angles C4'-P-C4' energy: -11.596 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -2.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -65.867810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.867810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.867810 (E_RNA) where: Base-Base interactions energy: -23.104 where: short stacking energy: -23.104 Base-Backbone interact. energy: -0.065 local terms energy: -42.699517 where: bonds (distance) C4'-P energy: -11.768 bonds (distance) P-C4' energy: -12.110 flat angles C4'-P-C4' energy: -13.172 flat angles P-C4'-P energy: -1.889 tors. eta vs tors. theta energy: -3.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -186.176105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.176105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.176105 (E_RNA) where: Base-Base interactions energy: -127.119 where: short stacking energy: -49.823 Base-Backbone interact. energy: -0.000 local terms energy: -59.057273 where: bonds (distance) C4'-P energy: -11.801 bonds (distance) P-C4' energy: -10.407 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -7.293 tors. eta vs tors. theta energy: -15.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -188.279942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.279942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.279942 (E_RNA) where: Base-Base interactions energy: -129.128 where: short stacking energy: -53.191 Base-Backbone interact. energy: -0.009 local terms energy: -59.142856 where: bonds (distance) C4'-P energy: -9.057 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -13.830 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -13.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -180.915136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.915136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.915136 (E_RNA) where: Base-Base interactions energy: -123.680 where: short stacking energy: -52.377 Base-Backbone interact. energy: -0.095 local terms energy: -57.139632 where: bonds (distance) C4'-P energy: -10.336 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -8.848 flat angles P-C4'-P energy: -8.469 tors. eta vs tors. theta energy: -15.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -175.197854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.197854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.197854 (E_RNA) where: Base-Base interactions energy: -117.804 where: short stacking energy: -48.764 Base-Backbone interact. energy: -0.003 local terms energy: -57.390130 where: bonds (distance) C4'-P energy: -12.548 bonds (distance) P-C4' energy: -13.083 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -12.491 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: 5, replica: 8 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -173.894944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.894944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.894944 (E_RNA) where: Base-Base interactions energy: -116.416 where: short stacking energy: -46.861 Base-Backbone interact. energy: -0.142 local terms energy: -57.337053 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -12.181 flat angles P-C4'-P energy: -7.658 tors. eta vs tors. theta energy: -11.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -173.405465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.405465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.405465 (E_RNA) where: Base-Base interactions energy: -119.200 where: short stacking energy: -49.168 Base-Backbone interact. energy: -0.007 local terms energy: -54.198773 where: bonds (distance) C4'-P energy: -10.854 bonds (distance) P-C4' energy: -11.534 flat angles C4'-P-C4' energy: -8.362 flat angles P-C4'-P energy: -6.960 tors. eta vs tors. theta energy: -16.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -167.152179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.152179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.152179 (E_RNA) where: Base-Base interactions energy: -114.895 where: short stacking energy: -45.449 Base-Backbone interact. energy: -0.112 local terms energy: -52.145379 where: bonds (distance) C4'-P energy: -9.857 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -11.523 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -11.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -65.383593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.383593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.383593 (E_RNA) where: Base-Base interactions energy: -28.961 where: short stacking energy: -17.596 Base-Backbone interact. energy: -0.078 local terms energy: -36.344951 where: bonds (distance) C4'-P energy: -9.954 bonds (distance) P-C4' energy: -7.972 flat angles C4'-P-C4' energy: -8.739 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -4.456 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: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -130.882732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.882732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.882732 (E_RNA) where: Base-Base interactions energy: -84.472 where: short stacking energy: -29.334 Base-Backbone interact. energy: -0.079 local terms energy: -46.331748 where: bonds (distance) C4'-P energy: -10.084 bonds (distance) P-C4' energy: -12.073 flat angles C4'-P-C4' energy: -9.811 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -9.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -58.827278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.827278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.827278 (E_RNA) where: Base-Base interactions energy: -16.455 where: short stacking energy: -6.946 Base-Backbone interact. energy: -0.296 local terms energy: -42.076890 where: bonds (distance) C4'-P energy: -10.840 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -11.591 flat angles P-C4'-P energy: -9.854 tors. eta vs tors. theta energy: 3.520 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: 1 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -181.358124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.358124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.358124 (E_RNA) where: Base-Base interactions energy: -122.204 where: short stacking energy: -52.871 Base-Backbone interact. energy: -0.009 local terms energy: -59.145300 where: bonds (distance) C4'-P energy: -10.556 bonds (distance) P-C4' energy: -11.410 flat angles C4'-P-C4' energy: -13.107 flat angles P-C4'-P energy: -10.640 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: 2, replica: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -185.285496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.285496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.285496 (E_RNA) where: Base-Base interactions energy: -129.814 where: short stacking energy: -51.518 Base-Backbone interact. energy: -0.006 local terms energy: -55.466195 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -12.657 flat angles C4'-P-C4' energy: -11.531 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -14.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -183.985777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.985777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.985777 (E_RNA) where: Base-Base interactions energy: -120.180 where: short stacking energy: -52.370 Base-Backbone interact. energy: -0.004 local terms energy: -63.801649 where: bonds (distance) C4'-P energy: -13.612 bonds (distance) P-C4' energy: -11.908 flat angles C4'-P-C4' energy: -14.200 flat angles P-C4'-P energy: -10.786 tors. eta vs tors. theta energy: -13.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -180.428740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.428740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.428740 (E_RNA) where: Base-Base interactions energy: -126.338 where: short stacking energy: -47.969 Base-Backbone interact. energy: -0.048 local terms energy: -54.042889 where: bonds (distance) C4'-P energy: -13.566 bonds (distance) P-C4' energy: -11.048 flat angles C4'-P-C4' energy: -9.753 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -15.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -175.961652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.961652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.961652 (E_RNA) where: Base-Base interactions energy: -122.334 where: short stacking energy: -50.121 Base-Backbone interact. energy: -0.372 local terms energy: -53.255942 where: bonds (distance) C4'-P energy: -12.291 bonds (distance) P-C4' energy: -11.785 flat angles C4'-P-C4' energy: -9.691 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -14.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -177.215855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.215855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.215855 (E_RNA) where: Base-Base interactions energy: -128.530 where: short stacking energy: -52.888 Base-Backbone interact. energy: -0.127 local terms energy: -48.559597 where: bonds (distance) C4'-P energy: -7.482 bonds (distance) P-C4' energy: -8.080 flat angles C4'-P-C4' energy: -12.784 flat angles P-C4'-P energy: -6.508 tors. eta vs tors. theta energy: -13.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -173.219298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.219298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.219298 (E_RNA) where: Base-Base interactions energy: -116.313 where: short stacking energy: -43.665 Base-Backbone interact. energy: -0.689 local terms energy: -56.217353 where: bonds (distance) C4'-P energy: -8.871 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -14.808 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -12.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -70.476566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.476566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.476566 (E_RNA) where: Base-Base interactions energy: -23.704 where: short stacking energy: -23.704 Base-Backbone interact. energy: -0.050 local terms energy: -46.722661 where: bonds (distance) C4'-P energy: -12.809 bonds (distance) P-C4' energy: -13.548 flat angles C4'-P-C4' energy: -12.542 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -3.436 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: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -148.289925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.289925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.289925 (E_RNA) where: Base-Base interactions energy: -101.784 where: short stacking energy: -35.777 Base-Backbone interact. energy: -0.249 local terms energy: -46.256827 where: bonds (distance) C4'-P energy: -13.958 bonds (distance) P-C4' energy: -11.028 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -7.992 tors. eta vs tors. theta energy: -8.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -68.348709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.348709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.348709 (E_RNA) where: Base-Base interactions energy: -21.625 where: short stacking energy: -13.021 Base-Backbone interact. energy: -0.202 local terms energy: -46.521867 where: bonds (distance) C4'-P energy: -14.671 bonds (distance) P-C4' energy: -11.947 flat angles C4'-P-C4' energy: -12.656 flat angles P-C4'-P energy: -9.786 tors. eta vs tors. theta energy: 2.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -183.909073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.909073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.909073 (E_RNA) where: Base-Base interactions energy: -130.597 where: short stacking energy: -43.992 Base-Backbone interact. energy: -0.727 local terms energy: -52.585192 where: bonds (distance) C4'-P energy: -6.809 bonds (distance) P-C4' energy: -11.846 flat angles C4'-P-C4' energy: -14.659 flat angles P-C4'-P energy: -8.110 tors. eta vs tors. theta energy: -11.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -180.979707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.979707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.979707 (E_RNA) where: Base-Base interactions energy: -126.004 where: short stacking energy: -46.627 Base-Backbone interact. energy: -0.380 local terms energy: -54.595878 where: bonds (distance) C4'-P energy: -11.010 bonds (distance) P-C4' energy: -8.374 flat angles C4'-P-C4' energy: -10.963 flat angles P-C4'-P energy: -9.870 tors. eta vs tors. theta energy: -14.379 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: 5 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -182.851130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.851130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.851130 (E_RNA) where: Base-Base interactions energy: -128.643 where: short stacking energy: -52.327 Base-Backbone interact. energy: -0.050 local terms energy: -54.158401 where: bonds (distance) C4'-P energy: -9.310 bonds (distance) P-C4' energy: -11.475 flat angles C4'-P-C4' energy: -11.881 flat angles P-C4'-P energy: -7.129 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: 4, replica: 6 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -179.651067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.651067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.651067 (E_RNA) where: Base-Base interactions energy: -118.942 where: short stacking energy: -51.680 Base-Backbone interact. energy: -0.864 local terms energy: -59.844745 where: bonds (distance) C4'-P energy: -12.128 bonds (distance) P-C4' energy: -11.566 flat angles C4'-P-C4' energy: -12.817 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -15.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -181.060342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.060342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.060342 (E_RNA) where: Base-Base interactions energy: -124.135 where: short stacking energy: -50.666 Base-Backbone interact. energy: -0.094 local terms energy: -56.831601 where: bonds (distance) C4'-P energy: -7.626 bonds (distance) P-C4' energy: -12.147 flat angles C4'-P-C4' energy: -13.344 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -14.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -165.205593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.205593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.205593 (E_RNA) where: Base-Base interactions energy: -115.275 where: short stacking energy: -40.932 Base-Backbone interact. energy: -0.003 local terms energy: -49.928037 where: bonds (distance) C4'-P energy: -10.220 bonds (distance) P-C4' energy: -12.650 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -7.015 tors. eta vs tors. theta energy: -14.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -167.466204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.466204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.466204 (E_RNA) where: Base-Base interactions energy: -112.310 where: short stacking energy: -43.343 Base-Backbone interact. energy: 0.292 local terms energy: -55.448402 where: bonds (distance) C4'-P energy: -12.705 bonds (distance) P-C4' energy: -12.788 flat angles C4'-P-C4' energy: -11.580 flat angles P-C4'-P energy: -6.923 tors. eta vs tors. theta energy: -11.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -77.279267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.279267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.279267 (E_RNA) where: Base-Base interactions energy: -41.242 where: short stacking energy: -8.483 Base-Backbone interact. energy: -0.297 local terms energy: -35.740336 where: bonds (distance) C4'-P energy: -9.243 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -9.255 tors. eta vs tors. theta energy: 2.092 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: 9, replica: 4 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -75.608819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.608819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.608819 (E_RNA) where: Base-Base interactions energy: -32.852 where: short stacking energy: -11.883 Base-Backbone interact. energy: -0.569 local terms energy: -42.188251 where: bonds (distance) C4'-P energy: -8.730 bonds (distance) P-C4' energy: -12.419 flat angles C4'-P-C4' energy: -11.654 flat angles P-C4'-P energy: -8.862 tors. eta vs tors. theta energy: -0.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -63.876777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.876777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.876777 (E_RNA) where: Base-Base interactions energy: -26.645 where: short stacking energy: -26.645 Base-Backbone interact. energy: -0.186 local terms energy: -37.045851 where: bonds (distance) C4'-P energy: -4.448 bonds (distance) P-C4' energy: -11.744 flat angles C4'-P-C4' energy: -10.776 flat angles P-C4'-P energy: -9.670 tors. eta vs tors. theta energy: -0.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -185.736070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.736070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.736070 (E_RNA) where: Base-Base interactions energy: -126.322 where: short stacking energy: -48.720 Base-Backbone interact. energy: -0.002 local terms energy: -59.412209 where: bonds (distance) C4'-P energy: -11.123 bonds (distance) P-C4' energy: -12.448 flat angles C4'-P-C4' energy: -13.268 flat angles P-C4'-P energy: -8.181 tors. eta vs tors. theta energy: -14.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -186.730910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.730910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.730910 (E_RNA) where: Base-Base interactions energy: -126.449 where: short stacking energy: -49.475 Base-Backbone interact. energy: -0.002 local terms energy: -60.280208 where: bonds (distance) C4'-P energy: -12.763 bonds (distance) P-C4' energy: -14.079 flat angles C4'-P-C4' energy: -13.300 flat angles P-C4'-P energy: -6.716 tors. eta vs tors. theta energy: -13.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -182.065782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.065782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.065782 (E_RNA) where: Base-Base interactions energy: -122.217 where: short stacking energy: -46.015 Base-Backbone interact. energy: -0.027 local terms energy: -59.822108 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -12.707 flat angles C4'-P-C4' energy: -13.148 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: -15.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -180.466983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.466983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.466983 (E_RNA) where: Base-Base interactions energy: -122.920 where: short stacking energy: -50.129 Base-Backbone interact. energy: 0.074 local terms energy: -57.621067 where: bonds (distance) C4'-P energy: -10.320 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -13.327 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -15.477 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: 9 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -176.957326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.957326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.957326 (E_RNA) where: Base-Base interactions energy: -119.469 where: short stacking energy: -46.395 Base-Backbone interact. energy: -0.001 local terms energy: -57.487658 where: bonds (distance) C4'-P energy: -12.510 bonds (distance) P-C4' energy: -11.840 flat angles C4'-P-C4' energy: -10.523 flat angles P-C4'-P energy: -8.089 tors. eta vs tors. theta energy: -14.526 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: 3 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -169.068349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.068349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.068349 (E_RNA) where: Base-Base interactions energy: -120.546 where: short stacking energy: -45.712 Base-Backbone interact. energy: -1.453 local terms energy: -47.068957 where: bonds (distance) C4'-P energy: -7.087 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -12.296 flat angles P-C4'-P energy: -7.113 tors. eta vs tors. theta energy: -14.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -164.588724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.588724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.588724 (E_RNA) where: Base-Base interactions energy: -108.007 where: short stacking energy: -43.922 Base-Backbone interact. energy: -1.074 local terms energy: -55.507532 where: bonds (distance) C4'-P energy: -12.492 bonds (distance) P-C4' energy: -9.633 flat angles C4'-P-C4' energy: -12.236 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -14.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -67.137624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.137624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.137624 (E_RNA) where: Base-Base interactions energy: -21.030 where: short stacking energy: -19.839 Base-Backbone interact. energy: -0.132 local terms energy: -45.976233 where: bonds (distance) C4'-P energy: -10.904 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -14.074 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -71.279105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.279105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.279105 (E_RNA) where: Base-Base interactions energy: -31.250 where: short stacking energy: -31.650 Base-Backbone interact. energy: -0.013 local terms energy: -40.015816 where: bonds (distance) C4'-P energy: -8.534 bonds (distance) P-C4' energy: -9.486 flat angles C4'-P-C4' energy: -12.039 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -3.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -70.327316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.327316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.327316 (E_RNA) where: Base-Base interactions energy: -30.526 where: short stacking energy: -21.683 Base-Backbone interact. energy: -0.474 local terms energy: -39.327567 where: bonds (distance) C4'-P energy: -4.147 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -12.228 flat angles P-C4'-P energy: -8.146 tors. eta vs tors. theta energy: 0.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -194.170446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.170446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.170446 (E_RNA) where: Base-Base interactions energy: -130.190 where: short stacking energy: -47.873 Base-Backbone interact. energy: -0.005 local terms energy: -63.976052 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -13.384 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -18.806 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: 6 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -185.248602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.248602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.248602 (E_RNA) where: Base-Base interactions energy: -123.775 where: short stacking energy: -50.467 Base-Backbone interact. energy: -0.000 local terms energy: -61.473454 where: bonds (distance) C4'-P energy: -10.141 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -13.694 flat angles P-C4'-P energy: -6.788 tors. eta vs tors. theta energy: -16.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -177.178597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.178597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.178597 (E_RNA) where: Base-Base interactions energy: -123.310 where: short stacking energy: -47.424 Base-Backbone interact. energy: -0.050 local terms energy: -53.818558 where: bonds (distance) C4'-P energy: -11.516 bonds (distance) P-C4' energy: -10.644 flat angles C4'-P-C4' energy: -12.661 flat angles P-C4'-P energy: -7.818 tors. eta vs tors. theta energy: -11.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -180.123193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.123193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.123193 (E_RNA) where: Base-Base interactions energy: -121.044 where: short stacking energy: -49.052 Base-Backbone interact. energy: -0.003 local terms energy: -59.076447 where: bonds (distance) C4'-P energy: -10.815 bonds (distance) P-C4' energy: -10.510 flat angles C4'-P-C4' energy: -11.795 flat angles P-C4'-P energy: -10.873 tors. eta vs tors. theta energy: -15.083 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: 361 Temperature: 1.100000 Total energy: -182.037033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.037033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.037033 (E_RNA) where: Base-Base interactions energy: -121.111 where: short stacking energy: -45.190 Base-Backbone interact. energy: -0.331 local terms energy: -60.595439 where: bonds (distance) C4'-P energy: -12.323 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -11.655 flat angles P-C4'-P energy: -6.594 tors. eta vs tors. theta energy: -16.118 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: 8 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -177.285420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.285420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.285420 (E_RNA) where: Base-Base interactions energy: -115.190 where: short stacking energy: -43.154 Base-Backbone interact. energy: -0.001 local terms energy: -62.093779 where: bonds (distance) C4'-P energy: -11.665 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -10.704 flat angles P-C4'-P energy: -10.701 tors. eta vs tors. theta energy: -14.136 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: 3 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -166.322586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.322586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.322586 (E_RNA) where: Base-Base interactions energy: -114.065 where: short stacking energy: -53.028 Base-Backbone interact. energy: -0.084 local terms energy: -52.173507 where: bonds (distance) C4'-P energy: -10.510 bonds (distance) P-C4' energy: -7.786 flat angles C4'-P-C4' energy: -8.705 flat angles P-C4'-P energy: -8.898 tors. eta vs tors. theta energy: -16.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -76.619843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.619843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.619843 (E_RNA) where: Base-Base interactions energy: -27.665 where: short stacking energy: -27.665 Base-Backbone interact. energy: -0.068 local terms energy: -48.886365 where: bonds (distance) C4'-P energy: -10.841 bonds (distance) P-C4' energy: -11.196 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -8.392 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: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -62.894935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.894935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.894935 (E_RNA) where: Base-Base interactions energy: -11.968 where: short stacking energy: -11.968 Base-Backbone interact. energy: 0.518 local terms energy: -51.444113 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -11.434 flat angles P-C4'-P energy: -9.816 tors. eta vs tors. theta energy: -3.598 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: 4 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -67.476209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.476209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.476209 (E_RNA) where: Base-Base interactions energy: -25.431 where: short stacking energy: -17.555 Base-Backbone interact. energy: -0.039 local terms energy: -42.006178 where: bonds (distance) C4'-P energy: -9.972 bonds (distance) P-C4' energy: -10.107 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -8.108 tors. eta vs tors. theta energy: -4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -191.747575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.747575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.747575 (E_RNA) where: Base-Base interactions energy: -123.484 where: short stacking energy: -54.297 Base-Backbone interact. energy: -0.974 local terms energy: -67.289878 where: bonds (distance) C4'-P energy: -14.430 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -13.231 flat angles P-C4'-P energy: -11.209 tors. eta vs tors. theta energy: -15.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -186.738473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.738473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.738473 (E_RNA) where: Base-Base interactions energy: -124.302 where: short stacking energy: -49.569 Base-Backbone interact. energy: -0.102 local terms energy: -62.333703 where: bonds (distance) C4'-P energy: -12.998 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -13.524 flat angles P-C4'-P energy: -8.180 tors. eta vs tors. theta energy: -14.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -173.856708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.856708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.856708 (E_RNA) where: Base-Base interactions energy: -119.929 where: short stacking energy: -40.286 Base-Backbone interact. energy: -0.227 local terms energy: -53.700861 where: bonds (distance) C4'-P energy: -9.405 bonds (distance) P-C4' energy: -12.232 flat angles C4'-P-C4' energy: -12.463 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -13.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -177.539704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.539704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.539704 (E_RNA) where: Base-Base interactions energy: -120.148 where: short stacking energy: -49.109 Base-Backbone interact. energy: -0.159 local terms energy: -57.233002 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -10.582 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -14.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -184.959579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.959579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.959579 (E_RNA) where: Base-Base interactions energy: -123.304 where: short stacking energy: -50.374 Base-Backbone interact. energy: -0.001 local terms energy: -61.655198 where: bonds (distance) C4'-P energy: -14.356 bonds (distance) P-C4' energy: -12.637 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -7.190 tors. eta vs tors. theta energy: -15.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -168.979799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.979799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.979799 (E_RNA) where: Base-Base interactions energy: -107.476 where: short stacking energy: -47.027 Base-Backbone interact. energy: -0.278 local terms energy: -61.226394 where: bonds (distance) C4'-P energy: -11.852 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -12.873 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -12.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -167.615361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.615361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.615361 (E_RNA) where: Base-Base interactions energy: -117.583 where: short stacking energy: -44.421 Base-Backbone interact. energy: -0.043 local terms energy: -49.989868 where: bonds (distance) C4'-P energy: -9.102 bonds (distance) P-C4' energy: -8.725 flat angles C4'-P-C4' energy: -11.184 flat angles P-C4'-P energy: -8.683 tors. eta vs tors. theta energy: -12.296 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: 10 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -67.891243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.891243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.891243 (E_RNA) where: Base-Base interactions energy: -28.568 where: short stacking energy: -20.190 Base-Backbone interact. energy: -0.800 local terms energy: -38.523367 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -11.213 flat angles P-C4'-P energy: -5.523 tors. eta vs tors. theta energy: 0.081 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: 9, replica: 4 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -66.967295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.967295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.967295 (E_RNA) where: Base-Base interactions energy: -27.258 where: short stacking energy: -19.836 Base-Backbone interact. energy: 0.168 local terms energy: -39.877989 where: bonds (distance) C4'-P energy: -13.036 bonds (distance) P-C4' energy: -9.135 flat angles C4'-P-C4' energy: -9.587 flat angles P-C4'-P energy: -7.806 tors. eta vs tors. theta energy: -0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -60.123126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.123126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.123126 (E_RNA) where: Base-Base interactions energy: -25.409 where: short stacking energy: -22.220 Base-Backbone interact. energy: 0.088 local terms energy: -34.802647 where: bonds (distance) C4'-P energy: -6.457 bonds (distance) P-C4' energy: -13.134 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -2.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -193.738286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.738286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.738286 (E_RNA) where: Base-Base interactions energy: -133.411 where: short stacking energy: -52.936 Base-Backbone interact. energy: -0.164 local terms energy: -60.163356 where: bonds (distance) C4'-P energy: -9.987 bonds (distance) P-C4' energy: -13.310 flat angles C4'-P-C4' energy: -13.929 flat angles P-C4'-P energy: -6.890 tors. eta vs tors. theta energy: -16.048 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: 1 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -185.402694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.402694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.402694 (E_RNA) where: Base-Base interactions energy: -125.837 where: short stacking energy: -51.084 Base-Backbone interact. energy: -0.693 local terms energy: -58.872013 where: bonds (distance) C4'-P energy: -12.246 bonds (distance) P-C4' energy: -12.469 flat angles C4'-P-C4' energy: -15.282 flat angles P-C4'-P energy: -5.757 tors. eta vs tors. theta energy: -13.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -180.872078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.872078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.872078 (E_RNA) where: Base-Base interactions energy: -121.484 where: short stacking energy: -52.176 Base-Backbone interact. energy: -0.001 local terms energy: -59.387640 where: bonds (distance) C4'-P energy: -10.304 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -14.267 flat angles P-C4'-P energy: -8.450 tors. eta vs tors. theta energy: -12.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -178.019454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.019454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.019454 (E_RNA) where: Base-Base interactions energy: -118.773 where: short stacking energy: -50.536 Base-Backbone interact. energy: -0.093 local terms energy: -59.152774 where: bonds (distance) C4'-P energy: -8.958 bonds (distance) P-C4' energy: -12.246 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: -16.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -171.364931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.364931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.364931 (E_RNA) where: Base-Base interactions energy: -116.862 where: short stacking energy: -48.511 Base-Backbone interact. energy: -0.161 local terms energy: -54.342448 where: bonds (distance) C4'-P energy: -14.021 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -14.125 flat angles P-C4'-P energy: -3.212 tors. eta vs tors. theta energy: -10.579 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: 3 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -178.624266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.624266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.624266 (E_RNA) where: Base-Base interactions energy: -126.527 where: short stacking energy: -52.305 Base-Backbone interact. energy: -0.094 local terms energy: -52.003417 where: bonds (distance) C4'-P energy: -10.701 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -11.823 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -11.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -169.019085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.019085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.019085 (E_RNA) where: Base-Base interactions energy: -111.686 where: short stacking energy: -41.390 Base-Backbone interact. energy: -0.035 local terms energy: -57.298245 where: bonds (distance) C4'-P energy: -12.076 bonds (distance) P-C4' energy: -8.798 flat angles C4'-P-C4' energy: -12.715 flat angles P-C4'-P energy: -9.195 tors. eta vs tors. theta energy: -14.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -72.544668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.544668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.544668 (E_RNA) where: Base-Base interactions energy: -31.252 where: short stacking energy: -31.252 Base-Backbone interact. energy: -0.041 local terms energy: -41.251296 where: bonds (distance) C4'-P energy: -12.609 bonds (distance) P-C4' energy: -10.542 flat angles C4'-P-C4' energy: -9.853 flat angles P-C4'-P energy: -1.199 tors. eta vs tors. theta energy: -7.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -67.906904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.906904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.906904 (E_RNA) where: Base-Base interactions energy: -26.738 where: short stacking energy: -17.845 Base-Backbone interact. energy: -0.036 local terms energy: -41.132243 where: bonds (distance) C4'-P energy: -11.268 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -4.417 tors. eta vs tors. theta energy: -3.541 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: 10, replica: 7 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -70.896609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.896609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.896609 (E_RNA) where: Base-Base interactions energy: -26.633 where: short stacking energy: -22.818 Base-Backbone interact. energy: 0.676 local terms energy: -44.939264 where: bonds (distance) C4'-P energy: -8.081 bonds (distance) P-C4' energy: -11.147 flat angles C4'-P-C4' energy: -9.751 flat angles P-C4'-P energy: -7.438 tors. eta vs tors. theta energy: -8.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -192.183235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.183235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.183235 (E_RNA) where: Base-Base interactions energy: -133.999 where: short stacking energy: -53.396 Base-Backbone interact. energy: -0.001 local terms energy: -58.182947 where: bonds (distance) C4'-P energy: -10.576 bonds (distance) P-C4' energy: -12.133 flat angles C4'-P-C4' energy: -13.576 flat angles P-C4'-P energy: -9.380 tors. eta vs tors. theta energy: -12.518 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: 2, replica: 2 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -181.097767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.097767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.097767 (E_RNA) where: Base-Base interactions energy: -118.566 where: short stacking energy: -48.972 Base-Backbone interact. energy: -0.001 local terms energy: -62.531071 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -9.709 flat angles C4'-P-C4' energy: -12.424 flat angles P-C4'-P energy: -9.707 tors. eta vs tors. theta energy: -16.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -180.083403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.083403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.083403 (E_RNA) where: Base-Base interactions energy: -122.911 where: short stacking energy: -45.098 Base-Backbone interact. energy: -0.013 local terms energy: -57.159126 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -12.914 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -12.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -183.214440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.214440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.214440 (E_RNA) where: Base-Base interactions energy: -125.269 where: short stacking energy: -51.548 Base-Backbone interact. energy: -0.607 local terms energy: -57.338165 where: bonds (distance) C4'-P energy: -11.392 bonds (distance) P-C4' energy: -10.342 flat angles C4'-P-C4' energy: -12.815 flat angles P-C4'-P energy: -8.054 tors. eta vs tors. theta energy: -14.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -178.568826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.568826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.568826 (E_RNA) where: Base-Base interactions energy: -120.971 where: short stacking energy: -55.733 Base-Backbone interact. energy: -0.102 local terms energy: -57.496073 where: bonds (distance) C4'-P energy: -10.559 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -13.913 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -14.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -172.052435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.052435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.052435 (E_RNA) where: Base-Base interactions energy: -119.170 where: short stacking energy: -47.831 Base-Backbone interact. energy: -0.011 local terms energy: -52.871494 where: bonds (distance) C4'-P energy: -6.917 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -8.299 tors. eta vs tors. theta energy: -12.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -174.162674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.162674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.162674 (E_RNA) where: Base-Base interactions energy: -119.891 where: short stacking energy: -45.480 Base-Backbone interact. energy: -0.387 local terms energy: -53.885212 where: bonds (distance) C4'-P energy: -11.540 bonds (distance) P-C4' energy: -10.899 flat angles C4'-P-C4' energy: -10.232 flat angles P-C4'-P energy: -5.945 tors. eta vs tors. theta energy: -15.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -80.778621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.778621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.778621 (E_RNA) where: Base-Base interactions energy: -29.779 where: short stacking energy: -27.492 Base-Backbone interact. energy: -0.220 local terms energy: -50.779198 where: bonds (distance) C4'-P energy: -14.331 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -8.527 flat angles P-C4'-P energy: -9.403 tors. eta vs tors. theta energy: -7.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -65.439721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.439721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.439721 (E_RNA) where: Base-Base interactions energy: -22.520 where: short stacking energy: -20.639 Base-Backbone interact. energy: -0.254 local terms energy: -42.666348 where: bonds (distance) C4'-P energy: -14.385 bonds (distance) P-C4' energy: -8.532 flat angles C4'-P-C4' energy: -9.603 flat angles P-C4'-P energy: -7.824 tors. eta vs tors. theta energy: -2.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -62.628466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.628466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.628466 (E_RNA) where: Base-Base interactions energy: -17.626 where: short stacking energy: -17.626 Base-Backbone interact. energy: -0.083 local terms energy: -44.919844 where: bonds (distance) C4'-P energy: -9.537 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -8.523 tors. eta vs tors. theta energy: -6.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -190.974948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.974948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.974948 (E_RNA) where: Base-Base interactions energy: -128.402 where: short stacking energy: -48.927 Base-Backbone interact. energy: 1.079 local terms energy: -63.652362 where: bonds (distance) C4'-P energy: -11.429 bonds (distance) P-C4' energy: -12.557 flat angles C4'-P-C4' energy: -12.379 flat angles P-C4'-P energy: -10.367 tors. eta vs tors. theta energy: -16.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -186.406642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.406642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.406642 (E_RNA) where: Base-Base interactions energy: -122.598 where: short stacking energy: -44.973 Base-Backbone interact. energy: 0.427 local terms energy: -64.235365 where: bonds (distance) C4'-P energy: -11.334 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -9.583 flat angles P-C4'-P energy: -10.805 tors. eta vs tors. theta energy: -18.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -180.346500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.346500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.346500 (E_RNA) where: Base-Base interactions energy: -120.582 where: short stacking energy: -51.614 Base-Backbone interact. energy: -0.002 local terms energy: -59.761622 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -11.232 flat angles C4'-P-C4' energy: -13.919 flat angles P-C4'-P energy: -9.112 tors. eta vs tors. theta energy: -14.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -178.161890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.161890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.161890 (E_RNA) where: Base-Base interactions energy: -115.432 where: short stacking energy: -43.892 Base-Backbone interact. energy: -0.025 local terms energy: -62.705403 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -12.839 flat angles P-C4'-P energy: -8.091 tors. eta vs tors. theta energy: -14.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -184.368984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.368984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.368984 (E_RNA) where: Base-Base interactions energy: -126.380 where: short stacking energy: -48.826 Base-Backbone interact. energy: -0.002 local terms energy: -57.987371 where: bonds (distance) C4'-P energy: -13.421 bonds (distance) P-C4' energy: -11.162 flat angles C4'-P-C4' energy: -13.671 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: -14.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -171.191583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.191583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.191583 (E_RNA) where: Base-Base interactions energy: -121.922 where: short stacking energy: -49.375 Base-Backbone interact. energy: -0.106 local terms energy: -49.163542 where: bonds (distance) C4'-P energy: -10.196 bonds (distance) P-C4' energy: -8.498 flat angles C4'-P-C4' energy: -10.621 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -15.022 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: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -170.904789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.904789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.904789 (E_RNA) where: Base-Base interactions energy: -116.664 where: short stacking energy: -48.532 Base-Backbone interact. energy: -0.001 local terms energy: -54.240109 where: bonds (distance) C4'-P energy: -9.822 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: -8.238 tors. eta vs tors. theta energy: -15.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -83.417430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.417430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.417430 (E_RNA) where: Base-Base interactions energy: -41.369 where: short stacking energy: -18.173 Base-Backbone interact. energy: -0.110 local terms energy: -41.939005 where: bonds (distance) C4'-P energy: -13.073 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -10.831 flat angles P-C4'-P energy: -7.013 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -76.768905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.768905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.768905 (E_RNA) where: Base-Base interactions energy: -29.390 where: short stacking energy: -28.023 Base-Backbone interact. energy: -0.048 local terms energy: -47.330502 where: bonds (distance) C4'-P energy: -11.302 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -11.021 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -7.015 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: 10 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -65.540531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.540531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.540531 (E_RNA) where: Base-Base interactions energy: -28.239 where: short stacking energy: -26.017 Base-Backbone interact. energy: -0.064 local terms energy: -37.237168 where: bonds (distance) C4'-P energy: -9.918 bonds (distance) P-C4' energy: -9.849 flat angles C4'-P-C4' energy: -8.728 flat angles P-C4'-P energy: -8.080 tors. eta vs tors. theta energy: -0.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -194.393807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.393807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.393807 (E_RNA) where: Base-Base interactions energy: -133.767 where: short stacking energy: -49.747 Base-Backbone interact. energy: -0.090 local terms energy: -60.537204 where: bonds (distance) C4'-P energy: -13.979 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -13.466 flat angles P-C4'-P energy: -4.765 tors. eta vs tors. theta energy: -13.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -190.621425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.621425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.621425 (E_RNA) where: Base-Base interactions energy: -125.518 where: short stacking energy: -53.698 Base-Backbone interact. energy: -0.003 local terms energy: -65.100312 where: bonds (distance) C4'-P energy: -12.543 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -13.148 flat angles P-C4'-P energy: -11.016 tors. eta vs tors. theta energy: -14.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -188.806292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.806292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.806292 (E_RNA) where: Base-Base interactions energy: -133.523 where: short stacking energy: -45.401 Base-Backbone interact. energy: -0.382 local terms energy: -54.902169 where: bonds (distance) C4'-P energy: -11.865 bonds (distance) P-C4' energy: -11.270 flat angles C4'-P-C4' energy: -11.409 flat angles P-C4'-P energy: -7.269 tors. eta vs tors. theta energy: -13.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -176.723255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.723255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.723255 (E_RNA) where: Base-Base interactions energy: -118.113 where: short stacking energy: -47.536 Base-Backbone interact. energy: 0.560 local terms energy: -59.170123 where: bonds (distance) C4'-P energy: -10.212 bonds (distance) P-C4' energy: -12.358 flat angles C4'-P-C4' energy: -15.050 flat angles P-C4'-P energy: -8.200 tors. eta vs tors. theta energy: -13.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -173.469659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.469659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.469659 (E_RNA) where: Base-Base interactions energy: -117.600 where: short stacking energy: -49.374 Base-Backbone interact. energy: -0.003 local terms energy: -55.866553 where: bonds (distance) C4'-P energy: -11.513 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -12.077 flat angles P-C4'-P energy: -8.289 tors. eta vs tors. theta energy: -12.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -172.232079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.232079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.232079 (E_RNA) where: Base-Base interactions energy: -115.990 where: short stacking energy: -45.763 Base-Backbone interact. energy: -0.055 local terms energy: -56.188016 where: bonds (distance) C4'-P energy: -10.499 bonds (distance) P-C4' energy: -12.837 flat angles C4'-P-C4' energy: -11.483 flat angles P-C4'-P energy: -9.450 tors. eta vs tors. theta energy: -11.919 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: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -179.036061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.036061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.036061 (E_RNA) where: Base-Base interactions energy: -112.422 where: short stacking energy: -51.384 Base-Backbone interact. energy: -0.021 local terms energy: -66.592570 where: bonds (distance) C4'-P energy: -12.609 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -11.869 flat angles P-C4'-P energy: -11.653 tors. eta vs tors. theta energy: -16.284 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: 8, replica: 7 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -75.508978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.508978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.508978 (E_RNA) where: Base-Base interactions energy: -33.507 where: short stacking energy: -26.225 Base-Backbone interact. energy: -1.087 local terms energy: -40.914290 where: bonds (distance) C4'-P energy: -12.304 bonds (distance) P-C4' energy: -9.626 flat angles C4'-P-C4' energy: -8.907 flat angles P-C4'-P energy: -8.432 tors. eta vs tors. theta energy: -1.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -69.296721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.296721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.296721 (E_RNA) where: Base-Base interactions energy: -35.878 where: short stacking energy: -23.740 Base-Backbone interact. energy: -0.030 local terms energy: -33.389374 where: bonds (distance) C4'-P energy: -7.964 bonds (distance) P-C4' energy: -4.943 flat angles C4'-P-C4' energy: -10.039 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -6.379 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: 4 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -61.792830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.792830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.792830 (E_RNA) where: Base-Base interactions energy: -14.697 where: short stacking energy: -14.697 Base-Backbone interact. energy: -0.001 local terms energy: -47.094036 where: bonds (distance) C4'-P energy: -11.602 bonds (distance) P-C4' energy: -13.773 flat angles C4'-P-C4' energy: -10.187 flat angles P-C4'-P energy: -7.169 tors. eta vs tors. theta energy: -4.364 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: 2 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -191.276766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.276766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.276766 (E_RNA) where: Base-Base interactions energy: -127.652 where: short stacking energy: -45.993 Base-Backbone interact. energy: -0.150 local terms energy: -63.475064 where: bonds (distance) C4'-P energy: -12.181 bonds (distance) P-C4' energy: -13.641 flat angles C4'-P-C4' energy: -13.908 flat angles P-C4'-P energy: -9.520 tors. eta vs tors. theta energy: -14.224 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: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -186.481130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.481130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.481130 (E_RNA) where: Base-Base interactions energy: -127.891 where: short stacking energy: -52.659 Base-Backbone interact. energy: -0.042 local terms energy: -58.548424 where: bonds (distance) C4'-P energy: -13.809 bonds (distance) P-C4' energy: -11.042 flat angles C4'-P-C4' energy: -11.557 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -16.633 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: 9 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -187.460327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.460327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.460327 (E_RNA) where: Base-Base interactions energy: -130.934 where: short stacking energy: -45.735 Base-Backbone interact. energy: -0.255 local terms energy: -56.271170 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -10.481 flat angles C4'-P-C4' energy: -12.210 flat angles P-C4'-P energy: -7.594 tors. eta vs tors. theta energy: -13.269 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: 4, replica: 8 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -180.461306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.461306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.461306 (E_RNA) where: Base-Base interactions energy: -123.007 where: short stacking energy: -44.017 Base-Backbone interact. energy: -0.580 local terms energy: -56.874406 where: bonds (distance) C4'-P energy: -12.956 bonds (distance) P-C4' energy: -2.811 flat angles C4'-P-C4' energy: -12.463 flat angles P-C4'-P energy: -10.182 tors. eta vs tors. theta energy: -18.462 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: 6 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -179.188470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.188470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.188470 (E_RNA) where: Base-Base interactions energy: -126.102 where: short stacking energy: -51.625 Base-Backbone interact. energy: -0.041 local terms energy: -53.045175 where: bonds (distance) C4'-P energy: -11.959 bonds (distance) P-C4' energy: -7.284 flat angles C4'-P-C4' energy: -12.504 flat angles P-C4'-P energy: -6.678 tors. eta vs tors. theta energy: -14.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -162.403790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.403790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.403790 (E_RNA) where: Base-Base interactions energy: -102.916 where: short stacking energy: -40.242 Base-Backbone interact. energy: -0.074 local terms energy: -59.414355 where: bonds (distance) C4'-P energy: -11.856 bonds (distance) P-C4' energy: -14.119 flat angles C4'-P-C4' energy: -12.401 flat angles P-C4'-P energy: -10.006 tors. eta vs tors. theta energy: -11.032 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: 3 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -174.758504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.758504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.758504 (E_RNA) where: Base-Base interactions energy: -120.489 where: short stacking energy: -44.870 Base-Backbone interact. energy: -0.093 local terms energy: -54.176001 where: bonds (distance) C4'-P energy: -12.357 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -13.396 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: -11.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -100.080540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.080540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.080540 (E_RNA) where: Base-Base interactions energy: -51.331 where: short stacking energy: -30.859 Base-Backbone interact. energy: -0.045 local terms energy: -48.705043 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -11.166 flat angles P-C4'-P energy: -6.829 tors. eta vs tors. theta energy: -7.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -64.208288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.208288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.208288 (E_RNA) where: Base-Base interactions energy: -29.544 where: short stacking energy: -18.443 Base-Backbone interact. energy: -0.097 local terms energy: -34.568123 where: bonds (distance) C4'-P energy: -9.314 bonds (distance) P-C4' energy: -7.983 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -8.555 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -71.613854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.613854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.613854 (E_RNA) where: Base-Base interactions energy: -25.792 where: short stacking energy: -17.299 Base-Backbone interact. energy: -0.442 local terms energy: -45.379718 where: bonds (distance) C4'-P energy: -12.713 bonds (distance) P-C4' energy: -10.289 flat angles C4'-P-C4' energy: -11.853 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -5.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -189.051694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.051694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.051694 (E_RNA) where: Base-Base interactions energy: -126.306 where: short stacking energy: -54.809 Base-Backbone interact. energy: -0.005 local terms energy: -62.741039 where: bonds (distance) C4'-P energy: -13.018 bonds (distance) P-C4' energy: -11.329 flat angles C4'-P-C4' energy: -13.749 flat angles P-C4'-P energy: -10.126 tors. eta vs tors. theta energy: -14.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -185.794204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.794204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.794204 (E_RNA) where: Base-Base interactions energy: -124.323 where: short stacking energy: -51.556 Base-Backbone interact. energy: -0.002 local terms energy: -61.468594 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -13.150 flat angles P-C4'-P energy: -6.965 tors. eta vs tors. theta energy: -15.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -189.291141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.291141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.291141 (E_RNA) where: Base-Base interactions energy: -126.122 where: short stacking energy: -46.567 Base-Backbone interact. energy: -0.312 local terms energy: -62.857004 where: bonds (distance) C4'-P energy: -11.970 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -11.777 flat angles P-C4'-P energy: -7.494 tors. eta vs tors. theta energy: -16.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -178.199474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.199474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.199474 (E_RNA) where: Base-Base interactions energy: -117.311 where: short stacking energy: -44.813 Base-Backbone interact. energy: -0.015 local terms energy: -60.874018 where: bonds (distance) C4'-P energy: -11.722 bonds (distance) P-C4' energy: -10.702 flat angles C4'-P-C4' energy: -14.549 flat angles P-C4'-P energy: -10.166 tors. eta vs tors. theta energy: -13.735 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: 5, replica: 5 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -176.320121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.320121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.320121 (E_RNA) where: Base-Base interactions energy: -118.698 where: short stacking energy: -48.581 Base-Backbone interact. energy: -0.197 local terms energy: -57.425138 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -9.332 flat angles C4'-P-C4' energy: -13.569 flat angles P-C4'-P energy: -8.454 tors. eta vs tors. theta energy: -13.855 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: 6 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -182.306790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.306790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.306790 (E_RNA) where: Base-Base interactions energy: -125.747 where: short stacking energy: -50.992 Base-Backbone interact. energy: -0.030 local terms energy: -56.529960 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -11.259 flat angles C4'-P-C4' energy: -10.286 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -15.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -183.346741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.346741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.346741 (E_RNA) where: Base-Base interactions energy: -122.465 where: short stacking energy: -47.128 Base-Backbone interact. energy: -0.644 local terms energy: -60.237879 where: bonds (distance) C4'-P energy: -10.684 bonds (distance) P-C4' energy: -13.115 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -7.802 tors. eta vs tors. theta energy: -16.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -79.882367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.882367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.882367 (E_RNA) where: Base-Base interactions energy: -37.059 where: short stacking energy: -26.932 Base-Backbone interact. energy: -0.515 local terms energy: -42.308718 where: bonds (distance) C4'-P energy: -9.946 bonds (distance) P-C4' energy: -11.943 flat angles C4'-P-C4' energy: -9.854 flat angles P-C4'-P energy: -2.364 tors. eta vs tors. theta energy: -8.202 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: 4 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -69.187807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.187807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.187807 (E_RNA) where: Base-Base interactions energy: -28.828 where: short stacking energy: -28.544 Base-Backbone interact. energy: -0.192 local terms energy: -40.167572 where: bonds (distance) C4'-P energy: -9.654 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -8.293 flat angles P-C4'-P energy: -8.095 tors. eta vs tors. theta energy: -2.746 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: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -70.878068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.878068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.878068 (E_RNA) where: Base-Base interactions energy: -35.528 where: short stacking energy: -16.554 Base-Backbone interact. energy: -0.531 local terms energy: -34.818887 where: bonds (distance) C4'-P energy: -9.998 bonds (distance) P-C4' energy: -9.635 flat angles C4'-P-C4' energy: -10.415 flat angles P-C4'-P energy: -6.584 tors. eta vs tors. theta energy: 1.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -188.255701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.255701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.255701 (E_RNA) where: Base-Base interactions energy: -126.677 where: short stacking energy: -49.729 Base-Backbone interact. energy: -0.100 local terms energy: -61.478661 where: bonds (distance) C4'-P energy: -11.830 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -12.468 flat angles P-C4'-P energy: -7.613 tors. eta vs tors. theta energy: -16.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -189.922423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.922423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.922423 (E_RNA) where: Base-Base interactions energy: -127.256 where: short stacking energy: -57.506 Base-Backbone interact. energy: -0.080 local terms energy: -62.586335 where: bonds (distance) C4'-P energy: -12.499 bonds (distance) P-C4' energy: -11.917 flat angles C4'-P-C4' energy: -12.699 flat angles P-C4'-P energy: -8.228 tors. eta vs tors. theta energy: -17.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -182.748682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.748682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.748682 (E_RNA) where: Base-Base interactions energy: -117.113 where: short stacking energy: -48.566 Base-Backbone interact. energy: -0.949 local terms energy: -64.687250 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -13.467 flat angles P-C4'-P energy: -8.299 tors. eta vs tors. theta energy: -16.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -174.266973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.266973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.266973 (E_RNA) where: Base-Base interactions energy: -117.978 where: short stacking energy: -41.127 Base-Backbone interact. energy: 0.288 local terms energy: -56.577477 where: bonds (distance) C4'-P energy: -12.817 bonds (distance) P-C4' energy: -11.473 flat angles C4'-P-C4' energy: -9.127 flat angles P-C4'-P energy: -9.241 tors. eta vs tors. theta energy: -13.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -178.837143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.837143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.837143 (E_RNA) where: Base-Base interactions energy: -120.982 where: short stacking energy: -39.875 Base-Backbone interact. energy: -0.807 local terms energy: -57.048684 where: bonds (distance) C4'-P energy: -11.542 bonds (distance) P-C4' energy: -10.278 flat angles C4'-P-C4' energy: -12.596 flat angles P-C4'-P energy: -7.392 tors. eta vs tors. theta energy: -15.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -174.936581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.936581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.936581 (E_RNA) where: Base-Base interactions energy: -118.293 where: short stacking energy: -53.308 Base-Backbone interact. energy: -0.001 local terms energy: -56.642320 where: bonds (distance) C4'-P energy: -8.961 bonds (distance) P-C4' energy: -11.713 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -7.947 tors. eta vs tors. theta energy: -14.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -173.436029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.436029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.436029 (E_RNA) where: Base-Base interactions energy: -119.301 where: short stacking energy: -50.233 Base-Backbone interact. energy: -0.211 local terms energy: -53.923101 where: bonds (distance) C4'-P energy: -9.119 bonds (distance) P-C4' energy: -10.083 flat angles C4'-P-C4' energy: -11.978 flat angles P-C4'-P energy: -8.462 tors. eta vs tors. theta energy: -14.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -80.077629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.077629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.077629 (E_RNA) where: Base-Base interactions energy: -34.202 where: short stacking energy: -34.202 Base-Backbone interact. energy: -0.056 local terms energy: -45.819507 where: bonds (distance) C4'-P energy: -7.781 bonds (distance) P-C4' energy: -11.590 flat angles C4'-P-C4' energy: -10.389 flat angles P-C4'-P energy: -9.481 tors. eta vs tors. theta energy: -6.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -64.784041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.784041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.784041 (E_RNA) where: Base-Base interactions energy: -22.391 where: short stacking energy: -22.268 Base-Backbone interact. energy: -0.130 local terms energy: -42.263126 where: bonds (distance) C4'-P energy: -9.358 bonds (distance) P-C4' energy: -12.087 flat angles C4'-P-C4' energy: -10.604 flat angles P-C4'-P energy: -8.311 tors. eta vs tors. theta energy: -1.904 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: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -73.095284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.095284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.095284 (E_RNA) where: Base-Base interactions energy: -34.328 where: short stacking energy: -18.018 Base-Backbone interact. energy: -0.131 local terms energy: -38.636553 where: bonds (distance) C4'-P energy: -4.933 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -12.831 tors. eta vs tors. theta energy: -0.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -185.149665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.149665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.149665 (E_RNA) where: Base-Base interactions energy: -125.505 where: short stacking energy: -48.716 Base-Backbone interact. energy: -0.658 local terms energy: -58.986100 where: bonds (distance) C4'-P energy: -12.813 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -12.109 flat angles P-C4'-P energy: -7.094 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: 2, replica: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -191.387743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.387743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.387743 (E_RNA) where: Base-Base interactions energy: -133.490 where: short stacking energy: -51.431 Base-Backbone interact. energy: -0.100 local terms energy: -57.797866 where: bonds (distance) C4'-P energy: -10.099 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -14.509 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -14.380 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: 2 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -186.776942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.776942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.776942 (E_RNA) where: Base-Base interactions energy: -126.899 where: short stacking energy: -50.500 Base-Backbone interact. energy: -0.002 local terms energy: -59.876257 where: bonds (distance) C4'-P energy: -10.522 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -10.073 tors. eta vs tors. theta energy: -16.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -171.222177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.222177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.222177 (E_RNA) where: Base-Base interactions energy: -110.720 where: short stacking energy: -46.963 Base-Backbone interact. energy: -0.683 local terms energy: -59.818977 where: bonds (distance) C4'-P energy: -10.088 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -13.736 flat angles P-C4'-P energy: -9.332 tors. eta vs tors. theta energy: -14.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -180.211490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.211490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.211490 (E_RNA) where: Base-Base interactions energy: -122.752 where: short stacking energy: -45.672 Base-Backbone interact. energy: -1.059 local terms energy: -56.401014 where: bonds (distance) C4'-P energy: -12.013 bonds (distance) P-C4' energy: -11.972 flat angles C4'-P-C4' energy: -12.379 flat angles P-C4'-P energy: -8.801 tors. eta vs tors. theta energy: -11.235 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: 6, replica: 9 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -179.113509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.113509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.113509 (E_RNA) where: Base-Base interactions energy: -124.213 where: short stacking energy: -52.257 Base-Backbone interact. energy: -0.225 local terms energy: -54.675711 where: bonds (distance) C4'-P energy: -11.718 bonds (distance) P-C4' energy: -12.985 flat angles C4'-P-C4' energy: -12.112 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -13.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -169.038582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.038582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.038582 (E_RNA) where: Base-Base interactions energy: -115.101 where: short stacking energy: -41.739 Base-Backbone interact. energy: -0.859 local terms energy: -53.078361 where: bonds (distance) C4'-P energy: -10.398 bonds (distance) P-C4' energy: -13.186 flat angles C4'-P-C4' energy: -11.619 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -12.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -67.053201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.053201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.053201 (E_RNA) where: Base-Base interactions energy: -29.145 where: short stacking energy: -29.145 Base-Backbone interact. energy: -0.194 local terms energy: -37.714771 where: bonds (distance) C4'-P energy: -11.316 bonds (distance) P-C4' energy: -9.471 flat angles C4'-P-C4' energy: -8.334 flat angles P-C4'-P energy: -7.032 tors. eta vs tors. theta energy: -1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -59.011481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.011481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.011481 (E_RNA) where: Base-Base interactions energy: -23.367 where: short stacking energy: -12.373 Base-Backbone interact. energy: -0.200 local terms energy: -35.443946 where: bonds (distance) C4'-P energy: -13.879 bonds (distance) P-C4' energy: -7.292 flat angles C4'-P-C4' energy: -14.361 flat angles P-C4'-P energy: -6.309 tors. eta vs tors. theta energy: 6.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -73.391416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.391416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.391416 (E_RNA) where: Base-Base interactions energy: -34.451 where: short stacking energy: -17.795 Base-Backbone interact. energy: 0.686 local terms energy: -39.626714 where: bonds (distance) C4'-P energy: -10.741 bonds (distance) P-C4' energy: -10.402 flat angles C4'-P-C4' energy: -9.618 flat angles P-C4'-P energy: -6.671 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -190.692716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.692716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.692716 (E_RNA) where: Base-Base interactions energy: -134.102 where: short stacking energy: -55.212 Base-Backbone interact. energy: 0.114 local terms energy: -56.704341 where: bonds (distance) C4'-P energy: -8.991 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -13.668 flat angles P-C4'-P energy: -6.953 tors. eta vs tors. theta energy: -15.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -179.180575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.180575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.180575 (E_RNA) where: Base-Base interactions energy: -126.969 where: short stacking energy: -48.532 Base-Backbone interact. energy: -0.042 local terms energy: -52.170276 where: bonds (distance) C4'-P energy: -11.454 bonds (distance) P-C4' energy: -12.607 flat angles C4'-P-C4' energy: -10.581 flat angles P-C4'-P energy: -3.225 tors. eta vs tors. theta energy: -14.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -185.218550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.218550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.218550 (E_RNA) where: Base-Base interactions energy: -125.933 where: short stacking energy: -53.456 Base-Backbone interact. energy: -1.020 local terms energy: -58.265453 where: bonds (distance) C4'-P energy: -9.600 bonds (distance) P-C4' energy: -10.985 flat angles C4'-P-C4' energy: -10.624 flat angles P-C4'-P energy: -10.978 tors. eta vs tors. theta energy: -16.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -176.330106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.330106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.330106 (E_RNA) where: Base-Base interactions energy: -120.113 where: short stacking energy: -46.343 Base-Backbone interact. energy: -0.015 local terms energy: -56.202228 where: bonds (distance) C4'-P energy: -11.131 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -10.340 flat angles P-C4'-P energy: -9.477 tors. eta vs tors. theta energy: -11.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -179.097399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.097399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.097399 (E_RNA) where: Base-Base interactions energy: -120.598 where: short stacking energy: -42.681 Base-Backbone interact. energy: -1.640 local terms energy: -56.859847 where: bonds (distance) C4'-P energy: -10.506 bonds (distance) P-C4' energy: -13.395 flat angles C4'-P-C4' energy: -13.999 flat angles P-C4'-P energy: -6.804 tors. eta vs tors. theta energy: -12.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -173.698410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.698410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.698410 (E_RNA) where: Base-Base interactions energy: -116.086 where: short stacking energy: -42.200 Base-Backbone interact. energy: -0.240 local terms energy: -57.372211 where: bonds (distance) C4'-P energy: -11.427 bonds (distance) P-C4' energy: -12.885 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -9.234 tors. eta vs tors. theta energy: -11.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -163.640396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.640396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.640396 (E_RNA) where: Base-Base interactions energy: -114.250 where: short stacking energy: -49.306 Base-Backbone interact. energy: -0.004 local terms energy: -49.386451 where: bonds (distance) C4'-P energy: -9.997 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -7.050 tors. eta vs tors. theta energy: -12.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -65.258999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.258999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.258999 (E_RNA) where: Base-Base interactions energy: -21.911 where: short stacking energy: -21.849 Base-Backbone interact. energy: -0.018 local terms energy: -43.330067 where: bonds (distance) C4'-P energy: -14.534 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -66.060473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.060473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.060473 (E_RNA) where: Base-Base interactions energy: -26.666 where: short stacking energy: -24.485 Base-Backbone interact. energy: -0.441 local terms energy: -38.953919 where: bonds (distance) C4'-P energy: -13.023 bonds (distance) P-C4' energy: -10.702 flat angles C4'-P-C4' energy: -7.372 flat angles P-C4'-P energy: -6.528 tors. eta vs tors. theta energy: -1.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -75.423407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.423407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.423407 (E_RNA) where: Base-Base interactions energy: -39.536 where: short stacking energy: -16.420 Base-Backbone interact. energy: -0.171 local terms energy: -35.716274 where: bonds (distance) C4'-P energy: -13.388 bonds (distance) P-C4' energy: -5.408 flat angles C4'-P-C4' energy: -12.326 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: 0.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -191.491904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.491904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.491904 (E_RNA) where: Base-Base interactions energy: -124.776 where: short stacking energy: -47.006 Base-Backbone interact. energy: -0.100 local terms energy: -66.615894 where: bonds (distance) C4'-P energy: -14.662 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -11.808 flat angles P-C4'-P energy: -10.986 tors. eta vs tors. theta energy: -14.289 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: 2 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -195.487341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.487341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.487341 (E_RNA) where: Base-Base interactions energy: -134.551 where: short stacking energy: -52.919 Base-Backbone interact. energy: -0.098 local terms energy: -60.838163 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -12.743 flat angles C4'-P-C4' energy: -9.900 flat angles P-C4'-P energy: -7.137 tors. eta vs tors. theta energy: -17.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -185.224337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.224337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.224337 (E_RNA) where: Base-Base interactions energy: -131.126 where: short stacking energy: -50.251 Base-Backbone interact. energy: -0.098 local terms energy: -54.000090 where: bonds (distance) C4'-P energy: -9.468 bonds (distance) P-C4' energy: -12.972 flat angles C4'-P-C4' energy: -12.311 flat angles P-C4'-P energy: -7.790 tors. eta vs tors. theta energy: -11.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -182.873452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.873452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.873452 (E_RNA) where: Base-Base interactions energy: -129.900 where: short stacking energy: -55.814 Base-Backbone interact. energy: -0.104 local terms energy: -52.869183 where: bonds (distance) C4'-P energy: -12.440 bonds (distance) P-C4' energy: -11.212 flat angles C4'-P-C4' energy: -10.141 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -14.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -177.773559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.773559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.773559 (E_RNA) where: Base-Base interactions energy: -115.113 where: short stacking energy: -49.550 Base-Backbone interact. energy: -0.817 local terms energy: -61.843753 where: bonds (distance) C4'-P energy: -12.857 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -12.675 flat angles P-C4'-P energy: -9.332 tors. eta vs tors. theta energy: -12.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -169.364227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.364227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.364227 (E_RNA) where: Base-Base interactions energy: -109.849 where: short stacking energy: -43.706 Base-Backbone interact. energy: -0.001 local terms energy: -59.513979 where: bonds (distance) C4'-P energy: -14.178 bonds (distance) P-C4' energy: -9.455 flat angles C4'-P-C4' energy: -12.380 flat angles P-C4'-P energy: -7.155 tors. eta vs tors. theta energy: -16.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -168.753786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.753786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.753786 (E_RNA) where: Base-Base interactions energy: -117.769 where: short stacking energy: -50.285 Base-Backbone interact. energy: -1.684 local terms energy: -49.300755 where: bonds (distance) C4'-P energy: -4.553 bonds (distance) P-C4' energy: -12.184 flat angles C4'-P-C4' energy: -11.596 flat angles P-C4'-P energy: -6.291 tors. eta vs tors. theta energy: -14.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -74.401603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.401603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.401603 (E_RNA) where: Base-Base interactions energy: -28.881 where: short stacking energy: -22.357 Base-Backbone interact. energy: -0.214 local terms energy: -45.306394 where: bonds (distance) C4'-P energy: -12.937 bonds (distance) P-C4' energy: -12.087 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: -5.582 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: 372 Temperature: 1.300000 Total energy: -71.013993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.013993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.013993 (E_RNA) where: Base-Base interactions energy: -34.015 where: short stacking energy: -22.660 Base-Backbone interact. energy: 0.612 local terms energy: -37.611131 where: bonds (distance) C4'-P energy: -5.360 bonds (distance) P-C4' energy: -11.746 flat angles C4'-P-C4' energy: -13.534 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -1.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -67.544203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.544203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.544203 (E_RNA) where: Base-Base interactions energy: -33.134 where: short stacking energy: -17.827 Base-Backbone interact. energy: -0.161 local terms energy: -34.249110 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -9.884 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -6.815 tors. eta vs tors. theta energy: 0.240 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: 373 Temperature: 0.900000 Total energy: -192.894891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.894891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.894891 (E_RNA) where: Base-Base interactions energy: -130.150 where: short stacking energy: -52.823 Base-Backbone interact. energy: -0.054 local terms energy: -62.690204 where: bonds (distance) C4'-P energy: -13.835 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -11.420 flat angles P-C4'-P energy: -9.736 tors. eta vs tors. theta energy: -14.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -188.110918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.110918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.110918 (E_RNA) where: Base-Base interactions energy: -128.670 where: short stacking energy: -44.434 Base-Backbone interact. energy: -0.326 local terms energy: -59.115777 where: bonds (distance) C4'-P energy: -10.696 bonds (distance) P-C4' energy: -13.250 flat angles C4'-P-C4' energy: -13.366 flat angles P-C4'-P energy: -8.864 tors. eta vs tors. theta energy: -12.939 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: 2 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -181.891287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.891287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.891287 (E_RNA) where: Base-Base interactions energy: -122.003 where: short stacking energy: -54.900 Base-Backbone interact. energy: -0.025 local terms energy: -59.863090 where: bonds (distance) C4'-P energy: -12.377 bonds (distance) P-C4' energy: -11.966 flat angles C4'-P-C4' energy: -13.833 flat angles P-C4'-P energy: -8.957 tors. eta vs tors. theta energy: -12.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -176.219310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.219310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.219310 (E_RNA) where: Base-Base interactions energy: -115.714 where: short stacking energy: -50.269 Base-Backbone interact. energy: -0.382 local terms energy: -60.122986 where: bonds (distance) C4'-P energy: -13.775 bonds (distance) P-C4' energy: -12.074 flat angles C4'-P-C4' energy: -10.841 flat angles P-C4'-P energy: -7.804 tors. eta vs tors. theta energy: -15.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -182.385806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.385806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.385806 (E_RNA) where: Base-Base interactions energy: -123.619 where: short stacking energy: -45.607 Base-Backbone interact. energy: -0.106 local terms energy: -58.660423 where: bonds (distance) C4'-P energy: -8.634 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -13.514 flat angles P-C4'-P energy: -6.770 tors. eta vs tors. theta energy: -18.007 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: 6, replica: 9 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -185.251139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.251139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.251139 (E_RNA) where: Base-Base interactions energy: -124.438 where: short stacking energy: -50.783 Base-Backbone interact. energy: -0.400 local terms energy: -60.413196 where: bonds (distance) C4'-P energy: -11.069 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -14.629 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -16.768 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: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -164.989876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.989876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.989876 (E_RNA) where: Base-Base interactions energy: -109.396 where: short stacking energy: -46.766 Base-Backbone interact. energy: -0.117 local terms energy: -55.476694 where: bonds (distance) C4'-P energy: -11.602 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -10.059 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -13.575 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: 7 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -68.892725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.892725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.892725 (E_RNA) where: Base-Base interactions energy: -27.850 where: short stacking energy: -26.971 Base-Backbone interact. energy: -0.332 local terms energy: -40.710743 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -9.672 flat angles P-C4'-P energy: -6.655 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: 9, replica: 10 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -67.595450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.595450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.595450 (E_RNA) where: Base-Base interactions energy: -24.873 where: short stacking energy: -24.837 Base-Backbone interact. energy: -0.098 local terms energy: -42.624933 where: bonds (distance) C4'-P energy: -8.127 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -8.577 tors. eta vs tors. theta energy: -5.895 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: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -88.870097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.870097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.870097 (E_RNA) where: Base-Base interactions energy: -39.879 where: short stacking energy: -23.753 Base-Backbone interact. energy: -1.201 local terms energy: -47.790436 where: bonds (distance) C4'-P energy: -11.124 bonds (distance) P-C4' energy: -11.253 flat angles C4'-P-C4' energy: -12.193 flat angles P-C4'-P energy: -8.155 tors. eta vs tors. theta energy: -5.064 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: 8 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -193.010232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.010232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.010232 (E_RNA) where: Base-Base interactions energy: -124.674 where: short stacking energy: -55.395 Base-Backbone interact. energy: -0.361 local terms energy: -67.975297 where: bonds (distance) C4'-P energy: -13.227 bonds (distance) P-C4' energy: -13.830 flat angles C4'-P-C4' energy: -14.816 flat angles P-C4'-P energy: -7.653 tors. eta vs tors. theta energy: -18.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -188.169461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.169461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.169461 (E_RNA) where: Base-Base interactions energy: -128.075 where: short stacking energy: -50.733 Base-Backbone interact. energy: -0.002 local terms energy: -60.092164 where: bonds (distance) C4'-P energy: -10.250 bonds (distance) P-C4' energy: -9.716 flat angles C4'-P-C4' energy: -13.872 flat angles P-C4'-P energy: -9.974 tors. eta vs tors. theta energy: -16.280 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: 3, replica: 6 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -180.938986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.938986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.938986 (E_RNA) where: Base-Base interactions energy: -131.143 where: short stacking energy: -48.563 Base-Backbone interact. energy: -0.003 local terms energy: -49.793237 where: bonds (distance) C4'-P energy: -10.882 bonds (distance) P-C4' energy: -10.390 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -6.489 tors. eta vs tors. theta energy: -14.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -183.415312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.415312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.415312 (E_RNA) where: Base-Base interactions energy: -121.758 where: short stacking energy: -50.288 Base-Backbone interact. energy: -0.675 local terms energy: -60.982271 where: bonds (distance) C4'-P energy: -11.765 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -12.665 flat angles P-C4'-P energy: -8.768 tors. eta vs tors. theta energy: -14.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -177.948173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.948173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.948173 (E_RNA) where: Base-Base interactions energy: -123.406 where: short stacking energy: -49.240 Base-Backbone interact. energy: -0.062 local terms energy: -54.479655 where: bonds (distance) C4'-P energy: -9.733 bonds (distance) P-C4' energy: -12.853 flat angles C4'-P-C4' energy: -11.717 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -15.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -170.021788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.021788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.021788 (E_RNA) where: Base-Base interactions energy: -113.365 where: short stacking energy: -43.773 Base-Backbone interact. energy: -0.003 local terms energy: -56.654214 where: bonds (distance) C4'-P energy: -12.271 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -6.571 tors. eta vs tors. theta energy: -12.645 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: 7, replica: 5 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -169.772051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.772051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.772051 (E_RNA) where: Base-Base interactions energy: -119.628 where: short stacking energy: -41.281 Base-Backbone interact. energy: -0.673 local terms energy: -49.470642 where: bonds (distance) C4'-P energy: -9.462 bonds (distance) P-C4' energy: -11.299 flat angles C4'-P-C4' energy: -10.072 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -14.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -131.533086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.533086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.533086 (E_RNA) where: Base-Base interactions energy: -82.374 where: short stacking energy: -33.591 Base-Backbone interact. energy: -0.134 local terms energy: -49.025638 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -10.739 flat angles P-C4'-P energy: -6.093 tors. eta vs tors. theta energy: -6.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -66.420344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.420344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.420344 (E_RNA) where: Base-Base interactions energy: -30.240 where: short stacking energy: -19.655 Base-Backbone interact. energy: -0.018 local terms energy: -36.161694 where: bonds (distance) C4'-P energy: -8.030 bonds (distance) P-C4' energy: -14.279 flat angles C4'-P-C4' energy: -10.605 flat angles P-C4'-P energy: -1.995 tors. eta vs tors. theta energy: -1.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -64.240833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.240833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.240833 (E_RNA) where: Base-Base interactions energy: -23.308 where: short stacking energy: -23.308 Base-Backbone interact. energy: 0.858 local terms energy: -41.790870 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -12.533 flat angles C4'-P-C4' energy: -11.848 flat angles P-C4'-P energy: -0.240 tors. eta vs tors. theta energy: -4.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -184.736875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.736875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.736875 (E_RNA) where: Base-Base interactions energy: -124.311 where: short stacking energy: -51.173 Base-Backbone interact. energy: -0.087 local terms energy: -60.338435 where: bonds (distance) C4'-P energy: -12.811 bonds (distance) P-C4' energy: -9.690 flat angles C4'-P-C4' energy: -14.237 flat angles P-C4'-P energy: -8.694 tors. eta vs tors. theta energy: -14.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -184.372654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.372654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.372654 (E_RNA) where: Base-Base interactions energy: -120.507 where: short stacking energy: -50.229 Base-Backbone interact. energy: -0.238 local terms energy: -63.627453 where: bonds (distance) C4'-P energy: -12.722 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -11.929 flat angles P-C4'-P energy: -11.385 tors. eta vs tors. theta energy: -13.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -180.563710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.563710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.563710 (E_RNA) where: Base-Base interactions energy: -119.445 where: short stacking energy: -44.356 Base-Backbone interact. energy: -0.012 local terms energy: -61.106671 where: bonds (distance) C4'-P energy: -8.338 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -10.334 flat angles P-C4'-P energy: -11.836 tors. eta vs tors. theta energy: -15.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -176.368267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.368267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.368267 (E_RNA) where: Base-Base interactions energy: -114.381 where: short stacking energy: -48.670 Base-Backbone interact. energy: -0.179 local terms energy: -61.808171 where: bonds (distance) C4'-P energy: -13.702 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -12.584 flat angles P-C4'-P energy: -9.328 tors. eta vs tors. theta energy: -14.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -180.742545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.742545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.742545 (E_RNA) where: Base-Base interactions energy: -121.156 where: short stacking energy: -50.068 Base-Backbone interact. energy: -0.004 local terms energy: -59.582153 where: bonds (distance) C4'-P energy: -10.879 bonds (distance) P-C4' energy: -10.653 flat angles C4'-P-C4' energy: -13.439 flat angles P-C4'-P energy: -7.987 tors. eta vs tors. theta energy: -16.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -172.923406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.923406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.923406 (E_RNA) where: Base-Base interactions energy: -118.502 where: short stacking energy: -42.538 Base-Backbone interact. energy: -0.003 local terms energy: -54.418082 where: bonds (distance) C4'-P energy: -11.189 bonds (distance) P-C4' energy: -12.936 flat angles C4'-P-C4' energy: -12.606 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -13.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -173.493939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.493939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.493939 (E_RNA) where: Base-Base interactions energy: -120.403 where: short stacking energy: -42.931 Base-Backbone interact. energy: -0.479 local terms energy: -52.611777 where: bonds (distance) C4'-P energy: -14.170 bonds (distance) P-C4' energy: -10.884 flat angles C4'-P-C4' energy: -9.689 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: -13.555 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: 375 Temperature: 1.250000 Total energy: -156.401407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.401407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.401407 (E_RNA) where: Base-Base interactions energy: -109.252 where: short stacking energy: -44.549 Base-Backbone interact. energy: -0.031 local terms energy: -47.119135 where: bonds (distance) C4'-P energy: -9.509 bonds (distance) P-C4' energy: -9.791 flat angles C4'-P-C4' energy: -12.224 flat angles P-C4'-P energy: -7.871 tors. eta vs tors. theta energy: -7.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -60.652289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.652289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.652289 (E_RNA) where: Base-Base interactions energy: -20.905 where: short stacking energy: -15.662 Base-Backbone interact. energy: 0.133 local terms energy: -39.879675 where: bonds (distance) C4'-P energy: -8.551 bonds (distance) P-C4' energy: -11.102 flat angles C4'-P-C4' energy: -13.236 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: -1.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -86.757210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.757210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.757210 (E_RNA) where: Base-Base interactions energy: -49.073 where: short stacking energy: -20.165 Base-Backbone interact. energy: -0.202 local terms energy: -37.482150 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -10.234 flat angles C4'-P-C4' energy: -8.884 flat angles P-C4'-P energy: -7.849 tors. eta vs tors. theta energy: -0.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -186.729105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.729105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.729105 (E_RNA) where: Base-Base interactions energy: -127.809 where: short stacking energy: -55.304 Base-Backbone interact. energy: -1.158 local terms energy: -57.762149 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -12.495 flat angles P-C4'-P energy: -6.509 tors. eta vs tors. theta energy: -14.467 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: 6 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -187.401046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.401046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.401046 (E_RNA) where: Base-Base interactions energy: -123.887 where: short stacking energy: -51.534 Base-Backbone interact. energy: -0.239 local terms energy: -63.274460 where: bonds (distance) C4'-P energy: -11.637 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -11.812 flat angles P-C4'-P energy: -11.250 tors. eta vs tors. theta energy: -15.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -179.880506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.880506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.880506 (E_RNA) where: Base-Base interactions energy: -117.864 where: short stacking energy: -46.590 Base-Backbone interact. energy: -0.103 local terms energy: -61.912960 where: bonds (distance) C4'-P energy: -12.319 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -13.712 flat angles P-C4'-P energy: -6.854 tors. eta vs tors. theta energy: -15.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -174.686003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.686003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.686003 (E_RNA) where: Base-Base interactions energy: -120.108 where: short stacking energy: -44.656 Base-Backbone interact. energy: -0.044 local terms energy: -54.534349 where: bonds (distance) C4'-P energy: -10.871 bonds (distance) P-C4' energy: -11.862 flat angles C4'-P-C4' energy: -12.294 flat angles P-C4'-P energy: -8.150 tors. eta vs tors. theta energy: -11.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -174.960738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.960738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.960738 (E_RNA) where: Base-Base interactions energy: -122.259 where: short stacking energy: -52.693 Base-Backbone interact. energy: -0.031 local terms energy: -52.670799 where: bonds (distance) C4'-P energy: -10.957 bonds (distance) P-C4' energy: -11.990 flat angles C4'-P-C4' energy: -10.810 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -13.948 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: 2 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -168.982092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.982092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.982092 (E_RNA) where: Base-Base interactions energy: -115.317 where: short stacking energy: -49.173 Base-Backbone interact. energy: -0.047 local terms energy: -53.617943 where: bonds (distance) C4'-P energy: -11.086 bonds (distance) P-C4' energy: -15.119 flat angles C4'-P-C4' energy: -12.148 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -11.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -173.287279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.287279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.287279 (E_RNA) where: Base-Base interactions energy: -118.123 where: short stacking energy: -46.836 Base-Backbone interact. energy: -0.008 local terms energy: -55.157120 where: bonds (distance) C4'-P energy: -9.483 bonds (distance) P-C4' energy: -11.585 flat angles C4'-P-C4' energy: -11.747 flat angles P-C4'-P energy: -8.560 tors. eta vs tors. theta energy: -13.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -163.712145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.712145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.712145 (E_RNA) where: Base-Base interactions energy: -112.685 where: short stacking energy: -44.512 Base-Backbone interact. energy: -0.022 local terms energy: -51.004592 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -12.879 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -12.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -65.648978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.648978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.648978 (E_RNA) where: Base-Base interactions energy: -22.509 where: short stacking energy: -22.509 Base-Backbone interact. energy: -0.092 local terms energy: -43.047656 where: bonds (distance) C4'-P energy: -10.123 bonds (distance) P-C4' energy: -12.923 flat angles C4'-P-C4' energy: -13.011 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -1.149 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: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -63.889479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.889479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.889479 (E_RNA) where: Base-Base interactions energy: -28.547 where: short stacking energy: -15.360 Base-Backbone interact. energy: 0.213 local terms energy: -35.555190 where: bonds (distance) C4'-P energy: -12.848 bonds (distance) P-C4' energy: -12.132 flat angles C4'-P-C4' energy: -3.285 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -2.555 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: 377 Temperature: 0.900000 Total energy: -192.360157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.360157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.360157 (E_RNA) where: Base-Base interactions energy: -131.077 where: short stacking energy: -57.999 Base-Backbone interact. energy: -0.043 local terms energy: -61.240035 where: bonds (distance) C4'-P energy: -13.114 bonds (distance) P-C4' energy: -11.598 flat angles C4'-P-C4' energy: -12.299 flat angles P-C4'-P energy: -8.601 tors. eta vs tors. theta energy: -15.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -188.876474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.876474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.876474 (E_RNA) where: Base-Base interactions energy: -128.485 where: short stacking energy: -53.806 Base-Backbone interact. energy: -0.001 local terms energy: -60.390056 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -11.355 flat angles C4'-P-C4' energy: -11.442 flat angles P-C4'-P energy: -8.444 tors. eta vs tors. theta energy: -15.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -182.443056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.443056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.443056 (E_RNA) where: Base-Base interactions energy: -122.388 where: short stacking energy: -44.405 Base-Backbone interact. energy: -0.721 local terms energy: -59.333983 where: bonds (distance) C4'-P energy: -11.155 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -11.503 flat angles P-C4'-P energy: -8.593 tors. eta vs tors. theta energy: -14.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -183.306475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.306475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.306475 (E_RNA) where: Base-Base interactions energy: -121.547 where: short stacking energy: -48.422 Base-Backbone interact. energy: -0.022 local terms energy: -61.738281 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -14.283 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -10.669 tors. eta vs tors. theta energy: -15.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -180.538691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.538691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.538691 (E_RNA) where: Base-Base interactions energy: -122.722 where: short stacking energy: -45.035 Base-Backbone interact. energy: -0.085 local terms energy: -57.732036 where: bonds (distance) C4'-P energy: -8.774 bonds (distance) P-C4' energy: -14.492 flat angles C4'-P-C4' energy: -9.093 flat angles P-C4'-P energy: -8.505 tors. eta vs tors. theta energy: -16.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -167.885679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.885679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.885679 (E_RNA) where: Base-Base interactions energy: -115.277 where: short stacking energy: -54.226 Base-Backbone interact. energy: -0.059 local terms energy: -52.549434 where: bonds (distance) C4'-P energy: -8.523 bonds (distance) P-C4' energy: -10.256 flat angles C4'-P-C4' energy: -11.783 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -17.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -168.867573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.867573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.867573 (E_RNA) where: Base-Base interactions energy: -116.418 where: short stacking energy: -45.338 Base-Backbone interact. energy: -0.017 local terms energy: -52.432308 where: bonds (distance) C4'-P energy: -5.646 bonds (distance) P-C4' energy: -12.072 flat angles C4'-P-C4' energy: -12.795 flat angles P-C4'-P energy: -9.636 tors. eta vs tors. theta energy: -12.284 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: 8, replica: 5 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -168.411107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.411107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.411107 (E_RNA) where: Base-Base interactions energy: -111.249 where: short stacking energy: -48.256 Base-Backbone interact. energy: 0.516 local terms energy: -57.678093 where: bonds (distance) C4'-P energy: -9.660 bonds (distance) P-C4' energy: -12.957 flat angles C4'-P-C4' energy: -10.990 flat angles P-C4'-P energy: -8.210 tors. eta vs tors. theta energy: -15.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -70.989830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.989830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.989830 (E_RNA) where: Base-Base interactions energy: -34.476 where: short stacking energy: -20.870 Base-Backbone interact. energy: -0.096 local terms energy: -36.417648 where: bonds (distance) C4'-P energy: -10.079 bonds (distance) P-C4' energy: -12.759 flat angles C4'-P-C4' energy: -3.441 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -4.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -58.006179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.006179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.006179 (E_RNA) where: Base-Base interactions energy: -20.072 where: short stacking energy: -16.035 Base-Backbone interact. energy: -0.084 local terms energy: -37.850122 where: bonds (distance) C4'-P energy: -10.498 bonds (distance) P-C4' energy: -7.914 flat angles C4'-P-C4' energy: -10.701 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: -2.429 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: 378 Temperature: 0.900000 Total energy: -190.654228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.654228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.654228 (E_RNA) where: Base-Base interactions energy: -125.022 where: short stacking energy: -50.330 Base-Backbone interact. energy: -0.101 local terms energy: -65.531026 where: bonds (distance) C4'-P energy: -10.763 bonds (distance) P-C4' energy: -15.143 flat angles C4'-P-C4' energy: -14.468 flat angles P-C4'-P energy: -8.244 tors. eta vs tors. theta energy: -16.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -183.204916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.204916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.204916 (E_RNA) where: Base-Base interactions energy: -129.194 where: short stacking energy: -50.656 Base-Backbone interact. energy: -0.044 local terms energy: -53.967171 where: bonds (distance) C4'-P energy: -8.332 bonds (distance) P-C4' energy: -10.284 flat angles C4'-P-C4' energy: -10.866 flat angles P-C4'-P energy: -9.418 tors. eta vs tors. theta energy: -15.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -187.914761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.914761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.914761 (E_RNA) where: Base-Base interactions energy: -128.024 where: short stacking energy: -50.763 Base-Backbone interact. energy: 1.098 local terms energy: -60.988438 where: bonds (distance) C4'-P energy: -12.316 bonds (distance) P-C4' energy: -11.889 flat angles C4'-P-C4' energy: -12.771 flat angles P-C4'-P energy: -10.006 tors. eta vs tors. theta energy: -14.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -176.551755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.551755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.551755 (E_RNA) where: Base-Base interactions energy: -118.641 where: short stacking energy: -47.462 Base-Backbone interact. energy: -0.041 local terms energy: -57.869108 where: bonds (distance) C4'-P energy: -9.725 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -11.692 flat angles P-C4'-P energy: -7.188 tors. eta vs tors. theta energy: -14.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -185.110760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.110760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.110760 (E_RNA) where: Base-Base interactions energy: -123.488 where: short stacking energy: -48.855 Base-Backbone interact. energy: -0.064 local terms energy: -61.558609 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -11.374 flat angles P-C4'-P energy: -9.884 tors. eta vs tors. theta energy: -13.779 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: 7 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -168.195849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.195849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.195849 (E_RNA) where: Base-Base interactions energy: -114.883 where: short stacking energy: -46.783 Base-Backbone interact. energy: -0.001 local terms energy: -53.311561 where: bonds (distance) C4'-P energy: -10.489 bonds (distance) P-C4' energy: -11.815 flat angles C4'-P-C4' energy: -10.191 flat angles P-C4'-P energy: -5.567 tors. eta vs tors. theta energy: -15.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -175.210759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.210759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.210759 (E_RNA) where: Base-Base interactions energy: -121.109 where: short stacking energy: -49.139 Base-Backbone interact. energy: -0.055 local terms energy: -54.046322 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -9.888 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -10.203 tors. eta vs tors. theta energy: -15.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -168.542911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.542911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.542911 (E_RNA) where: Base-Base interactions energy: -113.527 where: short stacking energy: -39.142 Base-Backbone interact. energy: -0.019 local terms energy: -54.997317 where: bonds (distance) C4'-P energy: -12.439 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -7.728 flat angles P-C4'-P energy: -7.781 tors. eta vs tors. theta energy: -12.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -62.136946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.136946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.136946 (E_RNA) where: Base-Base interactions energy: -29.128 where: short stacking energy: -15.494 Base-Backbone interact. energy: -0.048 local terms energy: -32.960555 where: bonds (distance) C4'-P energy: -6.056 bonds (distance) P-C4' energy: -8.960 flat angles C4'-P-C4' energy: -11.602 flat angles P-C4'-P energy: -5.651 tors. eta vs tors. theta energy: -0.692 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: 4 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -59.180549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.180549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.180549 (E_RNA) where: Base-Base interactions energy: -21.497 where: short stacking energy: -21.497 Base-Backbone interact. energy: -0.124 local terms energy: -37.559689 where: bonds (distance) C4'-P energy: -8.216 bonds (distance) P-C4' energy: -11.254 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -8.665 tors. eta vs tors. theta energy: -1.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -188.318259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.318259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.318259 (E_RNA) where: Base-Base interactions energy: -121.768 where: short stacking energy: -53.664 Base-Backbone interact. energy: -1.017 local terms energy: -65.532684 where: bonds (distance) C4'-P energy: -14.033 bonds (distance) P-C4' energy: -14.529 flat angles C4'-P-C4' energy: -13.390 flat angles P-C4'-P energy: -9.346 tors. eta vs tors. theta energy: -14.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -183.378917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.378917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.378917 (E_RNA) where: Base-Base interactions energy: -120.904 where: short stacking energy: -53.530 Base-Backbone interact. energy: -0.011 local terms energy: -62.464034 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -12.396 flat angles C4'-P-C4' energy: -11.334 flat angles P-C4'-P energy: -10.842 tors. eta vs tors. theta energy: -14.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -177.764557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.764557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.764557 (E_RNA) where: Base-Base interactions energy: -120.780 where: short stacking energy: -52.924 Base-Backbone interact. energy: -0.219 local terms energy: -56.765849 where: bonds (distance) C4'-P energy: -10.365 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -10.753 flat angles P-C4'-P energy: -6.530 tors. eta vs tors. theta energy: -14.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -181.916905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.916905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.916905 (E_RNA) where: Base-Base interactions energy: -129.062 where: short stacking energy: -55.582 Base-Backbone interact. energy: 0.203 local terms energy: -53.058203 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -4.895 flat angles C4'-P-C4' energy: -11.881 flat angles P-C4'-P energy: -6.464 tors. eta vs tors. theta energy: -17.433 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: 3 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -167.604810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.604810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.604810 (E_RNA) where: Base-Base interactions energy: -121.389 where: short stacking energy: -45.637 Base-Backbone interact. energy: -0.075 local terms energy: -46.141502 where: bonds (distance) C4'-P energy: -10.850 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -9.992 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -12.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -174.352916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.352916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.352916 (E_RNA) where: Base-Base interactions energy: -120.100 where: short stacking energy: -47.690 Base-Backbone interact. energy: -0.607 local terms energy: -53.645950 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -11.577 flat angles C4'-P-C4' energy: -10.588 flat angles P-C4'-P energy: -9.888 tors. eta vs tors. theta energy: -15.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -172.497087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.497087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.497087 (E_RNA) where: Base-Base interactions energy: -116.949 where: short stacking energy: -48.236 Base-Backbone interact. energy: -0.006 local terms energy: -55.542264 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -9.181 flat angles P-C4'-P energy: -6.637 tors. eta vs tors. theta energy: -14.128 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: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -163.844910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.844910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.844910 (E_RNA) where: Base-Base interactions energy: -111.531 where: short stacking energy: -41.773 Base-Backbone interact. energy: -0.219 local terms energy: -52.095435 where: bonds (distance) C4'-P energy: -8.809 bonds (distance) P-C4' energy: -12.184 flat angles C4'-P-C4' energy: -10.757 flat angles P-C4'-P energy: -8.533 tors. eta vs tors. theta energy: -11.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -68.185300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.185300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.185300 (E_RNA) where: Base-Base interactions energy: -26.239 where: short stacking energy: -22.284 Base-Backbone interact. energy: -0.175 local terms energy: -41.771232 where: bonds (distance) C4'-P energy: -9.070 bonds (distance) P-C4' energy: -14.005 flat angles C4'-P-C4' energy: -13.237 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -0.895 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: 4 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -63.277224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.277224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.277224 (E_RNA) where: Base-Base interactions energy: -18.624 where: short stacking energy: -18.460 Base-Backbone interact. energy: -0.485 local terms energy: -44.168347 where: bonds (distance) C4'-P energy: -10.481 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -12.441 flat angles P-C4'-P energy: -7.561 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: 1 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -187.776482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.776482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.776482 (E_RNA) where: Base-Base interactions energy: -131.020 where: short stacking energy: -48.373 Base-Backbone interact. energy: -0.209 local terms energy: -56.547747 where: bonds (distance) C4'-P energy: -13.488 bonds (distance) P-C4' energy: -11.784 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -13.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -183.145874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.145874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.145874 (E_RNA) where: Base-Base interactions energy: -125.161 where: short stacking energy: -51.219 Base-Backbone interact. energy: -0.669 local terms energy: -57.315942 where: bonds (distance) C4'-P energy: -12.033 bonds (distance) P-C4' energy: -11.503 flat angles C4'-P-C4' energy: -10.400 flat angles P-C4'-P energy: -7.217 tors. eta vs tors. theta energy: -16.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -177.034490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.034490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.034490 (E_RNA) where: Base-Base interactions energy: -119.838 where: short stacking energy: -47.661 Base-Backbone interact. energy: -0.000 local terms energy: -57.196266 where: bonds (distance) C4'-P energy: -13.212 bonds (distance) P-C4' energy: -10.623 flat angles C4'-P-C4' energy: -12.566 flat angles P-C4'-P energy: -7.060 tors. eta vs tors. theta energy: -13.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -183.831136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.831136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.831136 (E_RNA) where: Base-Base interactions energy: -119.466 where: short stacking energy: -46.601 Base-Backbone interact. energy: -0.000 local terms energy: -64.364503 where: bonds (distance) C4'-P energy: -15.275 bonds (distance) P-C4' energy: -12.843 flat angles C4'-P-C4' energy: -14.526 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: -15.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -179.557602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.557602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.557602 (E_RNA) where: Base-Base interactions energy: -123.514 where: short stacking energy: -51.494 Base-Backbone interact. energy: -1.054 local terms energy: -54.989789 where: bonds (distance) C4'-P energy: -13.008 bonds (distance) P-C4' energy: -4.048 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -10.862 tors. eta vs tors. theta energy: -14.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -183.390017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.390017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.390017 (E_RNA) where: Base-Base interactions energy: -118.037 where: short stacking energy: -47.316 Base-Backbone interact. energy: -0.615 local terms energy: -64.737779 where: bonds (distance) C4'-P energy: -10.689 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -13.552 flat angles P-C4'-P energy: -11.471 tors. eta vs tors. theta energy: -14.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -171.594487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.594487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.594487 (E_RNA) where: Base-Base interactions energy: -114.434 where: short stacking energy: -49.264 Base-Backbone interact. energy: 0.448 local terms energy: -57.608466 where: bonds (distance) C4'-P energy: -13.612 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -14.972 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -10.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -167.684309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.684309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.684309 (E_RNA) where: Base-Base interactions energy: -113.846 where: short stacking energy: -41.389 Base-Backbone interact. energy: -0.010 local terms energy: -53.828536 where: bonds (distance) C4'-P energy: -9.814 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -11.981 flat angles P-C4'-P energy: -7.467 tors. eta vs tors. theta energy: -13.213 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: 4 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -68.330551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.330551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.330551 (E_RNA) where: Base-Base interactions energy: -28.300 where: short stacking energy: -27.577 Base-Backbone interact. energy: 0.335 local terms energy: -40.365214 where: bonds (distance) C4'-P energy: -8.001 bonds (distance) P-C4' energy: -10.657 flat angles C4'-P-C4' energy: -10.201 flat angles P-C4'-P energy: -7.636 tors. eta vs tors. theta energy: -3.871 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: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -60.346252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.346252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.346252 (E_RNA) where: Base-Base interactions energy: -22.812 where: short stacking energy: -17.510 Base-Backbone interact. energy: -0.631 local terms energy: -36.903506 where: bonds (distance) C4'-P energy: -10.716 bonds (distance) P-C4' energy: -10.905 flat angles C4'-P-C4' energy: -9.328 flat angles P-C4'-P energy: -8.343 tors. eta vs tors. theta energy: 2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -184.406707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.406707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.406707 (E_RNA) where: Base-Base interactions energy: -126.496 where: short stacking energy: -55.700 Base-Backbone interact. energy: -0.166 local terms energy: -57.744910 where: bonds (distance) C4'-P energy: -11.198 bonds (distance) P-C4' energy: -13.810 flat angles C4'-P-C4' energy: -10.802 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -15.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -189.817401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.817401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.817401 (E_RNA) where: Base-Base interactions energy: -129.746 where: short stacking energy: -55.987 Base-Backbone interact. energy: -0.037 local terms energy: -60.034639 where: bonds (distance) C4'-P energy: -11.015 bonds (distance) P-C4' energy: -10.092 flat angles C4'-P-C4' energy: -14.209 flat angles P-C4'-P energy: -7.115 tors. eta vs tors. theta energy: -17.604 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: 3, replica: 9 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -184.694024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.694024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.694024 (E_RNA) where: Base-Base interactions energy: -123.617 where: short stacking energy: -46.030 Base-Backbone interact. energy: -0.766 local terms energy: -60.311714 where: bonds (distance) C4'-P energy: -11.975 bonds (distance) P-C4' energy: -11.617 flat angles C4'-P-C4' energy: -13.122 flat angles P-C4'-P energy: -10.116 tors. eta vs tors. theta energy: -13.482 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: 8 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -180.145939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.145939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.145939 (E_RNA) where: Base-Base interactions energy: -124.805 where: short stacking energy: -43.839 Base-Backbone interact. energy: -0.243 local terms energy: -55.097834 where: bonds (distance) C4'-P energy: -11.691 bonds (distance) P-C4' energy: -13.702 flat angles C4'-P-C4' energy: -13.513 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: -10.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -177.199782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.199782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.199782 (E_RNA) where: Base-Base interactions energy: -116.017 where: short stacking energy: -43.439 Base-Backbone interact. energy: 0.054 local terms energy: -61.236430 where: bonds (distance) C4'-P energy: -11.483 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -13.959 flat angles P-C4'-P energy: -6.894 tors. eta vs tors. theta energy: -13.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -183.928232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.928232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.928232 (E_RNA) where: Base-Base interactions energy: -119.208 where: short stacking energy: -47.697 Base-Backbone interact. energy: -0.002 local terms energy: -64.718852 where: bonds (distance) C4'-P energy: -12.352 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -10.371 tors. eta vs tors. theta energy: -14.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -163.840201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.840201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.840201 (E_RNA) where: Base-Base interactions energy: -116.945 where: short stacking energy: -44.605 Base-Backbone interact. energy: -0.691 local terms energy: -46.203884 where: bonds (distance) C4'-P energy: -14.261 bonds (distance) P-C4' energy: -8.821 flat angles C4'-P-C4' energy: -9.244 flat angles P-C4'-P energy: -0.274 tors. eta vs tors. theta energy: -13.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -163.572884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.572884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.572884 (E_RNA) where: Base-Base interactions energy: -117.925 where: short stacking energy: -41.383 Base-Backbone interact. energy: -0.038 local terms energy: -45.608938 where: bonds (distance) C4'-P energy: -14.331 bonds (distance) P-C4' energy: -6.924 flat angles C4'-P-C4' energy: -12.666 flat angles P-C4'-P energy: 2.233 tors. eta vs tors. theta energy: -13.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -68.990379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.990379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.990379 (E_RNA) where: Base-Base interactions energy: -34.632 where: short stacking energy: -29.014 Base-Backbone interact. energy: 2.287 local terms energy: -36.644958 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -7.243 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -9.993 tors. eta vs tors. theta energy: -6.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -66.391444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.391444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.391444 (E_RNA) where: Base-Base interactions energy: -26.911 where: short stacking energy: -26.911 Base-Backbone interact. energy: -0.077 local terms energy: -39.403937 where: bonds (distance) C4'-P energy: -5.925 bonds (distance) P-C4' energy: -12.095 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -6.862 tors. eta vs tors. theta energy: -8.117 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: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -196.401347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.401347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.401347 (E_RNA) where: Base-Base interactions energy: -137.121 where: short stacking energy: -48.924 Base-Backbone interact. energy: -0.159 local terms energy: -59.121075 where: bonds (distance) C4'-P energy: -12.782 bonds (distance) P-C4' energy: -12.622 flat angles C4'-P-C4' energy: -12.585 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: -16.817 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: 6 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -184.837510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.837510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.837510 (E_RNA) where: Base-Base interactions energy: -129.741 where: short stacking energy: -50.105 Base-Backbone interact. energy: -0.064 local terms energy: -55.033421 where: bonds (distance) C4'-P energy: -14.368 bonds (distance) P-C4' energy: -9.486 flat angles C4'-P-C4' energy: -10.182 flat angles P-C4'-P energy: -4.654 tors. eta vs tors. theta energy: -16.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -182.912994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.912994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.912994 (E_RNA) where: Base-Base interactions energy: -123.725 where: short stacking energy: -47.492 Base-Backbone interact. energy: -0.170 local terms energy: -59.018181 where: bonds (distance) C4'-P energy: -13.351 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -11.436 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -15.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -180.379157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.379157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.379157 (E_RNA) where: Base-Base interactions energy: -122.698 where: short stacking energy: -50.918 Base-Backbone interact. energy: -0.248 local terms energy: -57.433942 where: bonds (distance) C4'-P energy: -14.224 bonds (distance) P-C4' energy: -12.460 flat angles C4'-P-C4' energy: -9.126 flat angles P-C4'-P energy: -6.035 tors. eta vs tors. theta energy: -15.589 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: 5 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -174.755004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.755004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.755004 (E_RNA) where: Base-Base interactions energy: -119.822 where: short stacking energy: -46.185 Base-Backbone interact. energy: -0.240 local terms energy: -54.693538 where: bonds (distance) C4'-P energy: -12.726 bonds (distance) P-C4' energy: -12.110 flat angles C4'-P-C4' energy: -11.596 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -14.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -178.606945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.606945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.606945 (E_RNA) where: Base-Base interactions energy: -123.333 where: short stacking energy: -45.204 Base-Backbone interact. energy: -1.193 local terms energy: -54.081245 where: bonds (distance) C4'-P energy: -9.609 bonds (distance) P-C4' energy: -13.720 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -9.998 tors. eta vs tors. theta energy: -12.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -169.638512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.638512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.638512 (E_RNA) where: Base-Base interactions energy: -121.447 where: short stacking energy: -50.804 Base-Backbone interact. energy: -0.026 local terms energy: -48.165416 where: bonds (distance) C4'-P energy: -10.842 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -10.900 flat angles P-C4'-P energy: -8.871 tors. eta vs tors. theta energy: -12.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -166.384634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.384634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.384634 (E_RNA) where: Base-Base interactions energy: -117.163 where: short stacking energy: -47.787 Base-Backbone interact. energy: 0.137 local terms energy: -49.357901 where: bonds (distance) C4'-P energy: -9.702 bonds (distance) P-C4' energy: -11.969 flat angles C4'-P-C4' energy: -8.181 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -14.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -62.221878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.221878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.221878 (E_RNA) where: Base-Base interactions energy: -30.450 where: short stacking energy: -15.749 Base-Backbone interact. energy: -0.008 local terms energy: -31.763750 where: bonds (distance) C4'-P energy: -6.822 bonds (distance) P-C4' energy: -9.622 flat angles C4'-P-C4' energy: -11.428 flat angles P-C4'-P energy: -2.807 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: 10, replica: 4 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -63.190074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.190074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.190074 (E_RNA) where: Base-Base interactions energy: -37.036 where: short stacking energy: -16.488 Base-Backbone interact. energy: -0.451 local terms energy: -25.702590 where: bonds (distance) C4'-P energy: -9.993 bonds (distance) P-C4' energy: -8.365 flat angles C4'-P-C4' energy: -3.421 flat angles P-C4'-P energy: -5.945 tors. eta vs tors. theta energy: 2.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -185.388058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.388058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.388058 (E_RNA) where: Base-Base interactions energy: -121.172 where: short stacking energy: -44.504 Base-Backbone interact. energy: -0.076 local terms energy: -64.139446 where: bonds (distance) C4'-P energy: -11.757 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -8.291 tors. eta vs tors. theta energy: -16.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -185.640538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.640538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.640538 (E_RNA) where: Base-Base interactions energy: -127.587 where: short stacking energy: -46.448 Base-Backbone interact. energy: -0.522 local terms energy: -57.531689 where: bonds (distance) C4'-P energy: -12.928 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -10.771 flat angles P-C4'-P energy: -8.076 tors. eta vs tors. theta energy: -10.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -189.764671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.764671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.764671 (E_RNA) where: Base-Base interactions energy: -126.848 where: short stacking energy: -53.471 Base-Backbone interact. energy: -0.106 local terms energy: -62.810107 where: bonds (distance) C4'-P energy: -13.305 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -7.146 tors. eta vs tors. theta energy: -15.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -176.536262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.536262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.536262 (E_RNA) where: Base-Base interactions energy: -117.170 where: short stacking energy: -46.295 Base-Backbone interact. energy: 0.361 local terms energy: -59.726467 where: bonds (distance) C4'-P energy: -10.067 bonds (distance) P-C4' energy: -12.250 flat angles C4'-P-C4' energy: -13.081 flat angles P-C4'-P energy: -10.883 tors. eta vs tors. theta energy: -13.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -177.689241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.689241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.689241 (E_RNA) where: Base-Base interactions energy: -119.928 where: short stacking energy: -46.002 Base-Backbone interact. energy: -0.009 local terms energy: -57.752712 where: bonds (distance) C4'-P energy: -11.325 bonds (distance) P-C4' energy: -12.025 flat angles C4'-P-C4' energy: -14.420 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -12.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -176.388264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.388264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.388264 (E_RNA) where: Base-Base interactions energy: -117.138 where: short stacking energy: -43.599 Base-Backbone interact. energy: -0.005 local terms energy: -59.245106 where: bonds (distance) C4'-P energy: -12.894 bonds (distance) P-C4' energy: -12.598 flat angles C4'-P-C4' energy: -10.943 flat angles P-C4'-P energy: -8.160 tors. eta vs tors. theta energy: -14.651 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: 2 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -172.363860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.363860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.363860 (E_RNA) where: Base-Base interactions energy: -112.540 where: short stacking energy: -53.351 Base-Backbone interact. energy: -0.142 local terms energy: -59.682117 where: bonds (distance) C4'-P energy: -9.263 bonds (distance) P-C4' energy: -13.250 flat angles C4'-P-C4' energy: -14.279 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -17.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -166.959357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.959357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.959357 (E_RNA) where: Base-Base interactions energy: -108.602 where: short stacking energy: -49.106 Base-Backbone interact. energy: -0.119 local terms energy: -58.237958 where: bonds (distance) C4'-P energy: -10.952 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -10.284 flat angles P-C4'-P energy: -7.461 tors. eta vs tors. theta energy: -14.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -93.027570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.027570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.027570 (E_RNA) where: Base-Base interactions energy: -50.192 where: short stacking energy: -33.049 Base-Backbone interact. energy: -0.310 local terms energy: -42.525888 where: bonds (distance) C4'-P energy: -6.954 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -12.285 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -5.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -58.573670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.573670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.573670 (E_RNA) where: Base-Base interactions energy: -18.304 where: short stacking energy: -18.304 Base-Backbone interact. energy: 0.738 local terms energy: -41.007460 where: bonds (distance) C4'-P energy: -12.316 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -8.151 flat angles P-C4'-P energy: -6.607 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -187.018006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.018006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.018006 (E_RNA) where: Base-Base interactions energy: -124.319 where: short stacking energy: -51.682 Base-Backbone interact. energy: -0.001 local terms energy: -62.698983 where: bonds (distance) C4'-P energy: -13.632 bonds (distance) P-C4' energy: -9.830 flat angles C4'-P-C4' energy: -13.135 flat angles P-C4'-P energy: -9.368 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: 2, replica: 1 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -185.958695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.958695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.958695 (E_RNA) where: Base-Base interactions energy: -126.094 where: short stacking energy: -51.569 Base-Backbone interact. energy: -0.005 local terms energy: -59.859344 where: bonds (distance) C4'-P energy: -13.073 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -11.593 flat angles P-C4'-P energy: -8.662 tors. eta vs tors. theta energy: -18.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -180.032229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.032229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.032229 (E_RNA) where: Base-Base interactions energy: -120.923 where: short stacking energy: -51.366 Base-Backbone interact. energy: -0.098 local terms energy: -59.011031 where: bonds (distance) C4'-P energy: -10.795 bonds (distance) P-C4' energy: -11.232 flat angles C4'-P-C4' energy: -13.253 flat angles P-C4'-P energy: -8.747 tors. eta vs tors. theta energy: -14.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -178.814781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.814781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.814781 (E_RNA) where: Base-Base interactions energy: -125.271 where: short stacking energy: -47.972 Base-Backbone interact. energy: 2.216 local terms energy: -55.759931 where: bonds (distance) C4'-P energy: -12.651 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -12.293 flat angles P-C4'-P energy: -2.833 tors. eta vs tors. theta energy: -13.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -183.525439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.525439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.525439 (E_RNA) where: Base-Base interactions energy: -128.711 where: short stacking energy: -48.364 Base-Backbone interact. energy: -0.002 local terms energy: -54.811914 where: bonds (distance) C4'-P energy: -11.110 bonds (distance) P-C4' energy: -12.555 flat angles C4'-P-C4' energy: -11.533 flat angles P-C4'-P energy: -2.662 tors. eta vs tors. theta energy: -16.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -169.583009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.583009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.583009 (E_RNA) where: Base-Base interactions energy: -118.756 where: short stacking energy: -44.508 Base-Backbone interact. energy: -0.001 local terms energy: -50.825617 where: bonds (distance) C4'-P energy: -5.239 bonds (distance) P-C4' energy: -10.166 flat angles C4'-P-C4' energy: -14.185 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -14.190 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: 2 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -167.473993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.473993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.473993 (E_RNA) where: Base-Base interactions energy: -119.247 where: short stacking energy: -44.680 Base-Backbone interact. energy: -0.119 local terms energy: -48.107664 where: bonds (distance) C4'-P energy: -8.444 bonds (distance) P-C4' energy: -10.471 flat angles C4'-P-C4' energy: -11.713 flat angles P-C4'-P energy: -5.820 tors. eta vs tors. theta energy: -11.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -159.571880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.571880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.571880 (E_RNA) where: Base-Base interactions energy: -100.006 where: short stacking energy: -48.599 Base-Backbone interact. energy: -0.112 local terms energy: -59.453588 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -11.730 flat angles C4'-P-C4' energy: -12.914 flat angles P-C4'-P energy: -9.914 tors. eta vs tors. theta energy: -11.037 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: 4 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -72.771092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.771092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.771092 (E_RNA) where: Base-Base interactions energy: -24.011 where: short stacking energy: -22.218 Base-Backbone interact. energy: -0.047 local terms energy: -48.712344 where: bonds (distance) C4'-P energy: -10.275 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -11.254 flat angles P-C4'-P energy: -7.350 tors. eta vs tors. theta energy: -5.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -57.641150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.641150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.641150 (E_RNA) where: Base-Base interactions energy: -19.695 where: short stacking energy: -13.424 Base-Backbone interact. energy: -0.460 local terms energy: -37.486107 where: bonds (distance) C4'-P energy: -11.214 bonds (distance) P-C4' energy: -10.693 flat angles C4'-P-C4' energy: -9.511 flat angles P-C4'-P energy: -8.433 tors. eta vs tors. theta energy: 2.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -190.681956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.681956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.681956 (E_RNA) where: Base-Base interactions energy: -124.105 where: short stacking energy: -49.432 Base-Backbone interact. energy: -0.122 local terms energy: -66.455420 where: bonds (distance) C4'-P energy: -12.066 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -14.747 flat angles P-C4'-P energy: -9.762 tors. eta vs tors. theta energy: -16.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -186.656606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.656606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.656606 (E_RNA) where: Base-Base interactions energy: -118.457 where: short stacking energy: -48.492 Base-Backbone interact. energy: -0.380 local terms energy: -67.819672 where: bonds (distance) C4'-P energy: -13.658 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -13.513 flat angles P-C4'-P energy: -10.560 tors. eta vs tors. theta energy: -15.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -186.212192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.212192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.212192 (E_RNA) where: Base-Base interactions energy: -127.491 where: short stacking energy: -55.501 Base-Backbone interact. energy: -0.051 local terms energy: -58.670645 where: bonds (distance) C4'-P energy: -8.626 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -12.502 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -17.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -177.137601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.137601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.137601 (E_RNA) where: Base-Base interactions energy: -126.327 where: short stacking energy: -51.368 Base-Backbone interact. energy: -0.021 local terms energy: -50.789836 where: bonds (distance) C4'-P energy: -10.778 bonds (distance) P-C4' energy: -9.523 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: 0.837 tors. eta vs tors. theta energy: -18.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -179.374667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.374667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.374667 (E_RNA) where: Base-Base interactions energy: -121.015 where: short stacking energy: -45.707 Base-Backbone interact. energy: -0.978 local terms energy: -57.381236 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -12.557 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -13.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -175.598968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.598968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.598968 (E_RNA) where: Base-Base interactions energy: -122.339 where: short stacking energy: -50.455 Base-Backbone interact. energy: -0.001 local terms energy: -53.259277 where: bonds (distance) C4'-P energy: -10.982 bonds (distance) P-C4' energy: -11.597 flat angles C4'-P-C4' energy: -10.467 flat angles P-C4'-P energy: -6.555 tors. eta vs tors. theta energy: -13.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -174.922077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.922077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.922077 (E_RNA) where: Base-Base interactions energy: -121.755 where: short stacking energy: -49.128 Base-Backbone interact. energy: -0.012 local terms energy: -53.154635 where: bonds (distance) C4'-P energy: -8.722 bonds (distance) P-C4' energy: -10.418 flat angles C4'-P-C4' energy: -11.406 flat angles P-C4'-P energy: -7.916 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: 8, replica: 3 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -166.195424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.195424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.195424 (E_RNA) where: Base-Base interactions energy: -117.884 where: short stacking energy: -43.435 Base-Backbone interact. energy: -0.097 local terms energy: -48.215063 where: bonds (distance) C4'-P energy: -7.724 bonds (distance) P-C4' energy: -7.228 flat angles C4'-P-C4' energy: -13.803 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: -14.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -60.466895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.466895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.466895 (E_RNA) where: Base-Base interactions energy: -15.905 where: short stacking energy: -15.905 Base-Backbone interact. energy: -0.136 local terms energy: -44.426347 where: bonds (distance) C4'-P energy: -10.490 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -13.410 flat angles P-C4'-P energy: -6.627 tors. eta vs tors. theta energy: -0.664 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: 10, replica: 10 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -90.007076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.007076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.007076 (E_RNA) where: Base-Base interactions energy: -51.717 where: short stacking energy: -18.979 Base-Backbone interact. energy: -0.176 local terms energy: -38.113970 where: bonds (distance) C4'-P energy: -9.557 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -7.791 flat angles P-C4'-P energy: -6.155 tors. eta vs tors. theta energy: -1.734 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: 1, replica: 5 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -186.534921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.534921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.534921 (E_RNA) where: Base-Base interactions energy: -127.284 where: short stacking energy: -49.322 Base-Backbone interact. energy: -0.018 local terms energy: -59.232839 where: bonds (distance) C4'-P energy: -11.148 bonds (distance) P-C4' energy: -13.283 flat angles C4'-P-C4' energy: -12.911 flat angles P-C4'-P energy: -9.607 tors. eta vs tors. theta energy: -12.284 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: 9 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -188.590789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.590789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.590789 (E_RNA) where: Base-Base interactions energy: -127.465 where: short stacking energy: -46.262 Base-Backbone interact. energy: -0.050 local terms energy: -61.075699 where: bonds (distance) C4'-P energy: -13.880 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -14.283 flat angles P-C4'-P energy: -7.240 tors. eta vs tors. theta energy: -12.647 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: 7 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -181.938308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.938308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.938308 (E_RNA) where: Base-Base interactions energy: -119.929 where: short stacking energy: -50.549 Base-Backbone interact. energy: -0.495 local terms energy: -61.514351 where: bonds (distance) C4'-P energy: -11.575 bonds (distance) P-C4' energy: -14.796 flat angles C4'-P-C4' energy: -13.059 flat angles P-C4'-P energy: -8.626 tors. eta vs tors. theta energy: -13.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -182.999764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.999764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.999764 (E_RNA) where: Base-Base interactions energy: -128.811 where: short stacking energy: -44.458 Base-Backbone interact. energy: -0.577 local terms energy: -53.611404 where: bonds (distance) C4'-P energy: -10.248 bonds (distance) P-C4' energy: -9.229 flat angles C4'-P-C4' energy: -14.781 flat angles P-C4'-P energy: -7.314 tors. eta vs tors. theta energy: -12.040 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: 2 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -170.424497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.424497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.424497 (E_RNA) where: Base-Base interactions energy: -116.192 where: short stacking energy: -46.345 Base-Backbone interact. energy: -0.412 local terms energy: -53.820344 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -15.051 flat angles C4'-P-C4' energy: -12.062 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -14.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -170.515530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.515530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.515530 (E_RNA) where: Base-Base interactions energy: -114.884 where: short stacking energy: -42.060 Base-Backbone interact. energy: -0.116 local terms energy: -55.516006 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -14.529 flat angles C4'-P-C4' energy: -10.230 flat angles P-C4'-P energy: -7.138 tors. eta vs tors. theta energy: -10.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -168.468565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.468565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.468565 (E_RNA) where: Base-Base interactions energy: -116.430 where: short stacking energy: -43.150 Base-Backbone interact. energy: 1.686 local terms energy: -53.724191 where: bonds (distance) C4'-P energy: -10.771 bonds (distance) P-C4' energy: -11.824 flat angles C4'-P-C4' energy: -10.988 flat angles P-C4'-P energy: -6.234 tors. eta vs tors. theta energy: -13.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -156.795025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.795025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.795025 (E_RNA) where: Base-Base interactions energy: -110.082 where: short stacking energy: -43.379 Base-Backbone interact. energy: -0.017 local terms energy: -46.695737 where: bonds (distance) C4'-P energy: -5.282 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -12.735 flat angles P-C4'-P energy: -8.376 tors. eta vs tors. theta energy: -7.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -70.974138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.974138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.974138 (E_RNA) where: Base-Base interactions energy: -31.447 where: short stacking energy: -26.161 Base-Backbone interact. energy: -0.103 local terms energy: -39.424357 where: bonds (distance) C4'-P energy: -10.352 bonds (distance) P-C4' energy: -12.333 flat angles C4'-P-C4' energy: -10.959 flat angles P-C4'-P energy: -6.138 tors. eta vs tors. theta energy: 0.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -68.194919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.194919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.194919 (E_RNA) where: Base-Base interactions energy: -21.490 where: short stacking energy: -21.490 Base-Backbone interact. energy: -0.275 local terms energy: -46.430487 where: bonds (distance) C4'-P energy: -12.103 bonds (distance) P-C4' energy: -14.523 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -5.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -183.367635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.367635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.367635 (E_RNA) where: Base-Base interactions energy: -124.069 where: short stacking energy: -52.247 Base-Backbone interact. energy: -0.438 local terms energy: -58.860133 where: bonds (distance) C4'-P energy: -12.556 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -11.563 flat angles P-C4'-P energy: -9.872 tors. eta vs tors. theta energy: -12.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -181.272358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.272358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.272358 (E_RNA) where: Base-Base interactions energy: -117.644 where: short stacking energy: -48.601 Base-Backbone interact. energy: -0.401 local terms energy: -63.227143 where: bonds (distance) C4'-P energy: -14.493 bonds (distance) P-C4' energy: -10.421 flat angles C4'-P-C4' energy: -13.934 flat angles P-C4'-P energy: -11.261 tors. eta vs tors. theta energy: -13.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -187.386567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.386567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.386567 (E_RNA) where: Base-Base interactions energy: -124.347 where: short stacking energy: -47.949 Base-Backbone interact. energy: -0.000 local terms energy: -63.039248 where: bonds (distance) C4'-P energy: -14.186 bonds (distance) P-C4' energy: -12.448 flat angles C4'-P-C4' energy: -12.765 flat angles P-C4'-P energy: -8.911 tors. eta vs tors. theta energy: -14.729 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: 2 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -177.684924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.684924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.684924 (E_RNA) where: Base-Base interactions energy: -121.421 where: short stacking energy: -57.114 Base-Backbone interact. energy: -0.023 local terms energy: -56.241331 where: bonds (distance) C4'-P energy: -11.612 bonds (distance) P-C4' energy: -13.551 flat angles C4'-P-C4' energy: -10.245 flat angles P-C4'-P energy: -2.595 tors. eta vs tors. theta energy: -18.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -175.323386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.323386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.323386 (E_RNA) where: Base-Base interactions energy: -114.167 where: short stacking energy: -50.585 Base-Backbone interact. energy: -0.853 local terms energy: -60.303916 where: bonds (distance) C4'-P energy: -14.297 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -11.562 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: -13.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -172.947657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.947657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.947657 (E_RNA) where: Base-Base interactions energy: -112.938 where: short stacking energy: -44.738 Base-Backbone interact. energy: -0.815 local terms energy: -59.194256 where: bonds (distance) C4'-P energy: -11.607 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -13.130 flat angles P-C4'-P energy: -9.556 tors. eta vs tors. theta energy: -12.243 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: 8 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -173.606382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.606382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.606382 (E_RNA) where: Base-Base interactions energy: -123.660 where: short stacking energy: -45.212 Base-Backbone interact. energy: -0.643 local terms energy: -49.303818 where: bonds (distance) C4'-P energy: -7.645 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -9.579 flat angles P-C4'-P energy: -7.161 tors. eta vs tors. theta energy: -11.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -166.354062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.354062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.354062 (E_RNA) where: Base-Base interactions energy: -109.242 where: short stacking energy: -43.032 Base-Backbone interact. energy: -0.773 local terms energy: -56.338789 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -10.481 flat angles C4'-P-C4' energy: -11.969 flat angles P-C4'-P energy: -9.032 tors. eta vs tors. theta energy: -10.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -73.714298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.714298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.714298 (E_RNA) where: Base-Base interactions energy: -27.113 where: short stacking energy: -20.926 Base-Backbone interact. energy: 1.885 local terms energy: -48.486110 where: bonds (distance) C4'-P energy: -12.439 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -14.784 flat angles P-C4'-P energy: -7.884 tors. eta vs tors. theta energy: -0.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -66.145571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.145571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.145571 (E_RNA) where: Base-Base interactions energy: -32.301 where: short stacking energy: -9.252 Base-Backbone interact. energy: -0.260 local terms energy: -33.585251 where: bonds (distance) C4'-P energy: -11.379 bonds (distance) P-C4' energy: -5.172 flat angles C4'-P-C4' energy: -10.754 flat angles P-C4'-P energy: -7.091 tors. eta vs tors. theta energy: 0.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -187.393103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.393103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.393103 (E_RNA) where: Base-Base interactions energy: -122.411 where: short stacking energy: -51.746 Base-Backbone interact. energy: -0.723 local terms energy: -64.258721 where: bonds (distance) C4'-P energy: -12.527 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -8.625 tors. eta vs tors. theta energy: -16.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -183.992713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.992713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.992713 (E_RNA) where: Base-Base interactions energy: -122.946 where: short stacking energy: -48.216 Base-Backbone interact. energy: -0.316 local terms energy: -60.730232 where: bonds (distance) C4'-P energy: -13.418 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -9.453 flat angles P-C4'-P energy: -8.306 tors. eta vs tors. theta energy: -15.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -186.122889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.122889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.122889 (E_RNA) where: Base-Base interactions energy: -134.607 where: short stacking energy: -53.382 Base-Backbone interact. energy: -0.008 local terms energy: -51.507991 where: bonds (distance) C4'-P energy: -11.255 bonds (distance) P-C4' energy: -8.838 flat angles C4'-P-C4' energy: -9.911 flat angles P-C4'-P energy: -5.954 tors. eta vs tors. theta energy: -15.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -179.038792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.038792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.038792 (E_RNA) where: Base-Base interactions energy: -117.473 where: short stacking energy: -50.061 Base-Backbone interact. energy: -0.512 local terms energy: -61.053316 where: bonds (distance) C4'-P energy: -10.160 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -11.363 flat angles P-C4'-P energy: -11.158 tors. eta vs tors. theta energy: -14.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -172.124269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.124269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.124269 (E_RNA) where: Base-Base interactions energy: -109.081 where: short stacking energy: -41.576 Base-Backbone interact. energy: -0.088 local terms energy: -62.955517 where: bonds (distance) C4'-P energy: -12.721 bonds (distance) P-C4' energy: -12.656 flat angles C4'-P-C4' energy: -12.895 flat angles P-C4'-P energy: -11.659 tors. eta vs tors. theta energy: -13.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -180.417636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.417636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.417636 (E_RNA) where: Base-Base interactions energy: -126.271 where: short stacking energy: -43.536 Base-Backbone interact. energy: -0.162 local terms energy: -53.984936 where: bonds (distance) C4'-P energy: -14.075 bonds (distance) P-C4' energy: -7.293 flat angles C4'-P-C4' energy: -12.049 flat angles P-C4'-P energy: -7.493 tors. eta vs tors. theta energy: -13.075 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: 3 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -174.233685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.233685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.233685 (E_RNA) where: Base-Base interactions energy: -120.339 where: short stacking energy: -49.687 Base-Backbone interact. energy: -0.139 local terms energy: -53.755590 where: bonds (distance) C4'-P energy: -9.624 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -11.540 flat angles P-C4'-P energy: -8.445 tors. eta vs tors. theta energy: -14.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -165.014443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.014443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.014443 (E_RNA) where: Base-Base interactions energy: -119.499 where: short stacking energy: -43.012 Base-Backbone interact. energy: -0.007 local terms energy: -45.508695 where: bonds (distance) C4'-P energy: -7.761 bonds (distance) P-C4' energy: -10.924 flat angles C4'-P-C4' energy: -11.689 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -12.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -62.920056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.920056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.920056 (E_RNA) where: Base-Base interactions energy: -22.492 where: short stacking energy: -7.471 Base-Backbone interact. energy: -0.042 local terms energy: -40.386056 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -7.656 flat angles P-C4'-P energy: -7.739 tors. eta vs tors. theta energy: 3.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -80.218973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.218973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.218973 (E_RNA) where: Base-Base interactions energy: -41.498 where: short stacking energy: -18.296 Base-Backbone interact. energy: -0.352 local terms energy: -38.369339 where: bonds (distance) C4'-P energy: -10.187 bonds (distance) P-C4' energy: -11.706 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -7.721 tors. eta vs tors. theta energy: -1.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -188.343530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.343530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.343530 (E_RNA) where: Base-Base interactions energy: -130.191 where: short stacking energy: -56.460 Base-Backbone interact. energy: -0.098 local terms energy: -58.054549 where: bonds (distance) C4'-P energy: -12.428 bonds (distance) P-C4' energy: -12.751 flat angles C4'-P-C4' energy: -10.219 flat angles P-C4'-P energy: -8.035 tors. eta vs tors. theta energy: -14.622 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: 389 Temperature: 0.950000 Total energy: -187.955185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.955185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.955185 (E_RNA) where: Base-Base interactions energy: -124.625 where: short stacking energy: -54.124 Base-Backbone interact. energy: -0.356 local terms energy: -62.973856 where: bonds (distance) C4'-P energy: -10.100 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -13.134 flat angles P-C4'-P energy: -7.857 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: 3, replica: 7 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -183.999536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.999536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.999536 (E_RNA) where: Base-Base interactions energy: -124.274 where: short stacking energy: -52.137 Base-Backbone interact. energy: -0.009 local terms energy: -59.717332 where: bonds (distance) C4'-P energy: -12.078 bonds (distance) P-C4' energy: -11.806 flat angles C4'-P-C4' energy: -13.071 flat angles P-C4'-P energy: -6.594 tors. eta vs tors. theta energy: -16.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -186.179919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.179919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.179919 (E_RNA) where: Base-Base interactions energy: -122.446 where: short stacking energy: -51.480 Base-Backbone interact. energy: -0.001 local terms energy: -63.733759 where: bonds (distance) C4'-P energy: -12.170 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -12.937 flat angles P-C4'-P energy: -8.533 tors. eta vs tors. theta energy: -15.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -173.443573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.443573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.443573 (E_RNA) where: Base-Base interactions energy: -118.464 where: short stacking energy: -46.557 Base-Backbone interact. energy: -0.385 local terms energy: -54.594797 where: bonds (distance) C4'-P energy: -12.729 bonds (distance) P-C4' energy: -10.434 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -13.338 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: 3 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -170.204687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.204687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.204687 (E_RNA) where: Base-Base interactions energy: -115.813 where: short stacking energy: -47.313 Base-Backbone interact. energy: -0.036 local terms energy: -54.355789 where: bonds (distance) C4'-P energy: -13.090 bonds (distance) P-C4' energy: -9.206 flat angles C4'-P-C4' energy: -11.972 flat angles P-C4'-P energy: -8.179 tors. eta vs tors. theta energy: -11.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -171.655930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.655930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.655930 (E_RNA) where: Base-Base interactions energy: -112.052 where: short stacking energy: -42.934 Base-Backbone interact. energy: -0.522 local terms energy: -59.082118 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -12.110 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -11.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -79.561669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.561669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.561669 (E_RNA) where: Base-Base interactions energy: -40.693 where: short stacking energy: -21.651 Base-Backbone interact. energy: -0.188 local terms energy: -38.681151 where: bonds (distance) C4'-P energy: -7.853 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -10.165 flat angles P-C4'-P energy: -6.065 tors. eta vs tors. theta energy: 0.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -158.058918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.058918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.058918 (E_RNA) where: Base-Base interactions energy: -111.744 where: short stacking energy: -39.446 Base-Backbone interact. energy: -0.046 local terms energy: -46.268552 where: bonds (distance) C4'-P energy: -11.364 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -8.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -68.632387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.632387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.632387 (E_RNA) where: Base-Base interactions energy: -32.519 where: short stacking energy: -20.265 Base-Backbone interact. energy: -1.085 local terms energy: -35.028955 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -9.103 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -1.145 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: 9 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -187.949878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.949878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.949878 (E_RNA) where: Base-Base interactions energy: -121.638 where: short stacking energy: -48.729 Base-Backbone interact. energy: -0.405 local terms energy: -65.907573 where: bonds (distance) C4'-P energy: -12.563 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -13.106 flat angles P-C4'-P energy: -9.815 tors. eta vs tors. theta energy: -15.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -184.031167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.031167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.031167 (E_RNA) where: Base-Base interactions energy: -125.246 where: short stacking energy: -51.340 Base-Backbone interact. energy: -0.092 local terms energy: -58.692703 where: bonds (distance) C4'-P energy: -12.667 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -11.652 flat angles P-C4'-P energy: -8.114 tors. eta vs tors. theta energy: -12.530 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: 3, replica: 2 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -181.852029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.852029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.852029 (E_RNA) where: Base-Base interactions energy: -128.320 where: short stacking energy: -48.726 Base-Backbone interact. energy: -0.063 local terms energy: -53.468752 where: bonds (distance) C4'-P energy: -9.381 bonds (distance) P-C4' energy: -11.423 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -14.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -183.554831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.554831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.554831 (E_RNA) where: Base-Base interactions energy: -124.971 where: short stacking energy: -51.553 Base-Backbone interact. energy: -0.768 local terms energy: -57.815542 where: bonds (distance) C4'-P energy: -11.161 bonds (distance) P-C4' energy: -11.094 flat angles C4'-P-C4' energy: -12.630 flat angles P-C4'-P energy: -9.008 tors. eta vs tors. theta energy: -13.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -175.782345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.782345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.782345 (E_RNA) where: Base-Base interactions energy: -117.461 where: short stacking energy: -45.724 Base-Backbone interact. energy: -0.000 local terms energy: -58.320915 where: bonds (distance) C4'-P energy: -11.202 bonds (distance) P-C4' energy: -10.118 flat angles C4'-P-C4' energy: -12.270 flat angles P-C4'-P energy: -10.015 tors. eta vs tors. theta energy: -14.715 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: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -168.349682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.349682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.349682 (E_RNA) where: Base-Base interactions energy: -119.019 where: short stacking energy: -43.849 Base-Backbone interact. energy: -0.009 local terms energy: -49.321178 where: bonds (distance) C4'-P energy: -6.855 bonds (distance) P-C4' energy: -11.622 flat angles C4'-P-C4' energy: -11.929 flat angles P-C4'-P energy: -7.678 tors. eta vs tors. theta energy: -11.237 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: 7, replica: 1 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -181.417615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.417615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.417615 (E_RNA) where: Base-Base interactions energy: -121.160 where: short stacking energy: -47.550 Base-Backbone interact. energy: -0.010 local terms energy: -60.247920 where: bonds (distance) C4'-P energy: -12.145 bonds (distance) P-C4' energy: -7.440 flat angles C4'-P-C4' energy: -13.591 flat angles P-C4'-P energy: -12.041 tors. eta vs tors. theta energy: -15.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -84.394304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.394304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.394304 (E_RNA) where: Base-Base interactions energy: -45.707 where: short stacking energy: -22.977 Base-Backbone interact. energy: -0.083 local terms energy: -38.603843 where: bonds (distance) C4'-P energy: -12.104 bonds (distance) P-C4' energy: -8.834 flat angles C4'-P-C4' energy: -7.870 flat angles P-C4'-P energy: -7.817 tors. eta vs tors. theta energy: -1.978 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: 9, replica: 10 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -57.565840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.565840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.565840 (E_RNA) where: Base-Base interactions energy: -19.809 where: short stacking energy: -19.809 Base-Backbone interact. energy: 5.076 local terms energy: -42.832257 where: bonds (distance) C4'-P energy: -12.749 bonds (distance) P-C4' energy: -11.324 flat angles C4'-P-C4' energy: -12.354 flat angles P-C4'-P energy: -5.004 tors. eta vs tors. theta energy: -1.401 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: 8 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -141.284369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.284369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.284369 (E_RNA) where: Base-Base interactions energy: -90.482 where: short stacking energy: -37.653 Base-Backbone interact. energy: -0.268 local terms energy: -50.534556 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -10.219 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -11.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -185.747324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.747324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.747324 (E_RNA) where: Base-Base interactions energy: -126.255 where: short stacking energy: -56.335 Base-Backbone interact. energy: 0.321 local terms energy: -59.812528 where: bonds (distance) C4'-P energy: -9.169 bonds (distance) P-C4' energy: -10.644 flat angles C4'-P-C4' energy: -14.399 flat angles P-C4'-P energy: -10.867 tors. eta vs tors. theta energy: -14.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -191.517939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.517939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.517939 (E_RNA) where: Base-Base interactions energy: -129.433 where: short stacking energy: -56.593 Base-Backbone interact. energy: 0.037 local terms energy: -62.121842 where: bonds (distance) C4'-P energy: -11.347 bonds (distance) P-C4' energy: -12.831 flat angles C4'-P-C4' energy: -11.992 flat angles P-C4'-P energy: -11.071 tors. eta vs tors. theta energy: -14.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -184.063024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.063024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.063024 (E_RNA) where: Base-Base interactions energy: -126.941 where: short stacking energy: -51.824 Base-Backbone interact. energy: -0.102 local terms energy: -57.020333 where: bonds (distance) C4'-P energy: -13.155 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -11.600 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -14.109 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: 3 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -183.807076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.807076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.807076 (E_RNA) where: Base-Base interactions energy: -119.666 where: short stacking energy: -45.870 Base-Backbone interact. energy: 0.043 local terms energy: -64.184287 where: bonds (distance) C4'-P energy: -13.106 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -13.178 flat angles P-C4'-P energy: -9.848 tors. eta vs tors. theta energy: -13.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -175.024656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.024656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.024656 (E_RNA) where: Base-Base interactions energy: -118.829 where: short stacking energy: -47.288 Base-Backbone interact. energy: -0.406 local terms energy: -55.789168 where: bonds (distance) C4'-P energy: -10.080 bonds (distance) P-C4' energy: -14.508 flat angles C4'-P-C4' energy: -9.578 flat angles P-C4'-P energy: -6.969 tors. eta vs tors. theta energy: -14.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -173.021596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.021596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.021596 (E_RNA) where: Base-Base interactions energy: -114.649 where: short stacking energy: -49.712 Base-Backbone interact. energy: -0.001 local terms energy: -58.372318 where: bonds (distance) C4'-P energy: -10.436 bonds (distance) P-C4' energy: -10.080 flat angles C4'-P-C4' energy: -12.254 flat angles P-C4'-P energy: -12.292 tors. eta vs tors. theta energy: -13.310 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: 391 Temperature: 1.200000 Total energy: -173.114324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.114324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.114324 (E_RNA) where: Base-Base interactions energy: -119.901 where: short stacking energy: -47.868 Base-Backbone interact. energy: -0.007 local terms energy: -53.206453 where: bonds (distance) C4'-P energy: -12.361 bonds (distance) P-C4' energy: -6.292 flat angles C4'-P-C4' energy: -14.436 flat angles P-C4'-P energy: -9.264 tors. eta vs tors. theta energy: -10.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -69.917114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.917114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.917114 (E_RNA) where: Base-Base interactions energy: -33.160 where: short stacking energy: -25.548 Base-Backbone interact. energy: -0.298 local terms energy: -36.458646 where: bonds (distance) C4'-P energy: -9.613 bonds (distance) P-C4' energy: -10.200 flat angles C4'-P-C4' energy: -12.311 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: 1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -65.348007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.348007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.348007 (E_RNA) where: Base-Base interactions energy: -24.251 where: short stacking energy: -17.379 Base-Backbone interact. energy: -0.237 local terms energy: -40.859990 where: bonds (distance) C4'-P energy: -10.345 bonds (distance) P-C4' energy: -13.970 flat angles C4'-P-C4' energy: -10.372 flat angles P-C4'-P energy: -7.629 tors. eta vs tors. theta energy: 1.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -58.305988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.305988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.305988 (E_RNA) where: Base-Base interactions energy: -18.373 where: short stacking energy: -17.561 Base-Backbone interact. energy: -0.033 local terms energy: -39.899325 where: bonds (distance) C4'-P energy: -9.233 bonds (distance) P-C4' energy: -12.592 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -3.365 tors. eta vs tors. theta energy: -3.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -190.537306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.537306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.537306 (E_RNA) where: Base-Base interactions energy: -127.260 where: short stacking energy: -51.313 Base-Backbone interact. energy: -0.076 local terms energy: -63.201426 where: bonds (distance) C4'-P energy: -13.851 bonds (distance) P-C4' energy: -12.070 flat angles C4'-P-C4' energy: -12.840 flat angles P-C4'-P energy: -7.851 tors. eta vs tors. theta energy: -16.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -187.675921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.675921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.675921 (E_RNA) where: Base-Base interactions energy: -128.466 where: short stacking energy: -49.457 Base-Backbone interact. energy: -0.150 local terms energy: -59.059219 where: bonds (distance) C4'-P energy: -12.982 bonds (distance) P-C4' energy: -15.376 flat angles C4'-P-C4' energy: -9.810 flat angles P-C4'-P energy: -5.523 tors. eta vs tors. theta energy: -15.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -183.869949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.869949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.869949 (E_RNA) where: Base-Base interactions energy: -129.622 where: short stacking energy: -51.375 Base-Backbone interact. energy: -0.964 local terms energy: -53.283599 where: bonds (distance) C4'-P energy: -13.914 bonds (distance) P-C4' energy: -10.881 flat angles C4'-P-C4' energy: -11.626 flat angles P-C4'-P energy: -0.760 tors. eta vs tors. theta energy: -16.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -176.581328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.581328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.581328 (E_RNA) where: Base-Base interactions energy: -117.152 where: short stacking energy: -41.526 Base-Backbone interact. energy: -0.098 local terms energy: -59.330605 where: bonds (distance) C4'-P energy: -13.897 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -11.196 flat angles P-C4'-P energy: -8.154 tors. eta vs tors. theta energy: -11.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -178.168686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.168686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.168686 (E_RNA) where: Base-Base interactions energy: -118.823 where: short stacking energy: -43.696 Base-Backbone interact. energy: -1.060 local terms energy: -58.285235 where: bonds (distance) C4'-P energy: -11.923 bonds (distance) P-C4' energy: -10.548 flat angles C4'-P-C4' energy: -10.740 flat angles P-C4'-P energy: -9.189 tors. eta vs tors. theta energy: -15.885 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: 7 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -176.044435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.044435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.044435 (E_RNA) where: Base-Base interactions energy: -122.332 where: short stacking energy: -46.959 Base-Backbone interact. energy: -0.044 local terms energy: -53.668343 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -13.071 flat angles C4'-P-C4' energy: -12.954 flat angles P-C4'-P energy: -3.220 tors. eta vs tors. theta energy: -12.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -163.856828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.856828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.856828 (E_RNA) where: Base-Base interactions energy: -110.812 where: short stacking energy: -39.609 Base-Backbone interact. energy: -0.010 local terms energy: -53.034488 where: bonds (distance) C4'-P energy: -10.410 bonds (distance) P-C4' energy: -11.789 flat angles C4'-P-C4' energy: -13.795 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -12.895 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: 10 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -76.936599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.936599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.936599 (E_RNA) where: Base-Base interactions energy: -31.318 where: short stacking energy: -31.318 Base-Backbone interact. energy: -0.157 local terms energy: -45.461825 where: bonds (distance) C4'-P energy: -8.162 bonds (distance) P-C4' energy: -13.563 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -10.551 tors. eta vs tors. theta energy: -5.618 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: 392 Temperature: 1.300000 Total energy: -69.431044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.431044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.431044 (E_RNA) where: Base-Base interactions energy: -28.636 where: short stacking energy: -19.719 Base-Backbone interact. energy: -0.119 local terms energy: -40.675474 where: bonds (distance) C4'-P energy: -9.733 bonds (distance) P-C4' energy: -11.228 flat angles C4'-P-C4' energy: -9.450 flat angles P-C4'-P energy: -8.794 tors. eta vs tors. theta energy: -1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -78.668431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.668431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.668431 (E_RNA) where: Base-Base interactions energy: -45.211 where: short stacking energy: -21.464 Base-Backbone interact. energy: -0.384 local terms energy: -33.073124 where: bonds (distance) C4'-P energy: -11.401 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -1.988 tors. eta vs tors. theta energy: -4.285 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: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -187.339155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.339155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.339155 (E_RNA) where: Base-Base interactions energy: -127.264 where: short stacking energy: -50.999 Base-Backbone interact. energy: 0.071 local terms energy: -60.146887 where: bonds (distance) C4'-P energy: -11.959 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -12.761 flat angles P-C4'-P energy: -7.771 tors. eta vs tors. theta energy: -12.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -188.442926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.442926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.442926 (E_RNA) where: Base-Base interactions energy: -127.793 where: short stacking energy: -46.541 Base-Backbone interact. energy: -0.058 local terms energy: -60.591266 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -13.601 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -15.190 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: 3, replica: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -182.884022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.884022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.884022 (E_RNA) where: Base-Base interactions energy: -125.298 where: short stacking energy: -51.117 Base-Backbone interact. energy: -0.414 local terms energy: -57.171926 where: bonds (distance) C4'-P energy: -10.566 bonds (distance) P-C4' energy: -11.662 flat angles C4'-P-C4' energy: -13.134 flat angles P-C4'-P energy: -7.647 tors. eta vs tors. theta energy: -14.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -179.460995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.460995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.460995 (E_RNA) where: Base-Base interactions energy: -119.222 where: short stacking energy: -47.527 Base-Backbone interact. energy: -0.638 local terms energy: -59.600804 where: bonds (distance) C4'-P energy: -7.981 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -8.706 tors. eta vs tors. theta energy: -15.545 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: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -159.939398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.939398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.939398 (E_RNA) where: Base-Base interactions energy: -107.458 where: short stacking energy: -39.190 Base-Backbone interact. energy: -0.004 local terms energy: -52.477462 where: bonds (distance) C4'-P energy: -9.757 bonds (distance) P-C4' energy: -9.477 flat angles C4'-P-C4' energy: -12.678 flat angles P-C4'-P energy: -8.505 tors. eta vs tors. theta energy: -12.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -173.687389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.687389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.687389 (E_RNA) where: Base-Base interactions energy: -117.426 where: short stacking energy: -43.739 Base-Backbone interact. energy: -0.122 local terms energy: -56.138799 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -10.053 flat angles C4'-P-C4' energy: -11.157 flat angles P-C4'-P energy: -9.510 tors. eta vs tors. theta energy: -14.275 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: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -145.299876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.299876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.299876 (E_RNA) where: Base-Base interactions energy: -92.216 where: short stacking energy: -34.211 Base-Backbone interact. energy: -0.459 local terms energy: -52.625155 where: bonds (distance) C4'-P energy: -11.711 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -10.371 flat angles P-C4'-P energy: -9.130 tors. eta vs tors. theta energy: -8.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -76.422146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.422146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.422146 (E_RNA) where: Base-Base interactions energy: -32.489 where: short stacking energy: -28.314 Base-Backbone interact. energy: -0.001 local terms energy: -43.932276 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -10.493 flat angles P-C4'-P energy: -7.289 tors. eta vs tors. theta energy: -3.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -62.244869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.244869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.244869 (E_RNA) where: Base-Base interactions energy: -23.458 where: short stacking energy: -20.360 Base-Backbone interact. energy: -1.042 local terms energy: -37.745403 where: bonds (distance) C4'-P energy: -8.586 bonds (distance) P-C4' energy: -10.274 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -7.222 tors. eta vs tors. theta energy: -0.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -69.040318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.040318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.040318 (E_RNA) where: Base-Base interactions energy: -38.375 where: short stacking energy: -16.816 Base-Backbone interact. energy: -0.027 local terms energy: -30.637559 where: bonds (distance) C4'-P energy: -6.677 bonds (distance) P-C4' energy: -8.827 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -5.812 tors. eta vs tors. theta energy: -1.049 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: 3 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -191.709897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.709897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.709897 (E_RNA) where: Base-Base interactions energy: -128.592 where: short stacking energy: -51.709 Base-Backbone interact. energy: -0.101 local terms energy: -63.017310 where: bonds (distance) C4'-P energy: -13.904 bonds (distance) P-C4' energy: -11.098 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -10.584 tors. eta vs tors. theta energy: -16.032 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: 2 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -193.819605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.819605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.819605 (E_RNA) where: Base-Base interactions energy: -133.814 where: short stacking energy: -50.457 Base-Backbone interact. energy: -0.011 local terms energy: -59.993954 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -14.447 flat angles P-C4'-P energy: -8.572 tors. eta vs tors. theta energy: -12.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -180.884077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.884077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.884077 (E_RNA) where: Base-Base interactions energy: -123.022 where: short stacking energy: -52.351 Base-Backbone interact. energy: -0.001 local terms energy: -57.862004 where: bonds (distance) C4'-P energy: -12.179 bonds (distance) P-C4' energy: -11.965 flat angles C4'-P-C4' energy: -11.315 flat angles P-C4'-P energy: -7.379 tors. eta vs tors. theta energy: -15.024 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: 1 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -181.397932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.397932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.397932 (E_RNA) where: Base-Base interactions energy: -116.551 where: short stacking energy: -45.435 Base-Backbone interact. energy: -0.483 local terms energy: -64.363418 where: bonds (distance) C4'-P energy: -14.749 bonds (distance) P-C4' energy: -14.095 flat angles C4'-P-C4' energy: -13.959 flat angles P-C4'-P energy: -7.776 tors. eta vs tors. theta energy: -13.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -176.980501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.980501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.980501 (E_RNA) where: Base-Base interactions energy: -119.628 where: short stacking energy: -47.898 Base-Backbone interact. energy: -0.908 local terms energy: -56.444228 where: bonds (distance) C4'-P energy: -11.976 bonds (distance) P-C4' energy: -11.937 flat angles C4'-P-C4' energy: -13.132 flat angles P-C4'-P energy: -5.454 tors. eta vs tors. theta energy: -13.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -167.827207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.827207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.827207 (E_RNA) where: Base-Base interactions energy: -111.632 where: short stacking energy: -42.672 Base-Backbone interact. energy: -0.792 local terms energy: -55.403314 where: bonds (distance) C4'-P energy: -12.998 bonds (distance) P-C4' energy: -12.782 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -9.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -172.865672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.865672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.865672 (E_RNA) where: Base-Base interactions energy: -122.374 where: short stacking energy: -42.607 Base-Backbone interact. energy: -0.280 local terms energy: -50.211418 where: bonds (distance) C4'-P energy: -6.279 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -5.347 tors. eta vs tors. theta energy: -11.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -64.894445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.894445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.894445 (E_RNA) where: Base-Base interactions energy: -27.928 where: short stacking energy: -26.081 Base-Backbone interact. energy: -0.330 local terms energy: -36.635606 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -9.233 flat angles C4'-P-C4' energy: -12.127 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -1.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -73.832453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.832453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.832453 (E_RNA) where: Base-Base interactions energy: -34.014 where: short stacking energy: -20.917 Base-Backbone interact. energy: -0.044 local terms energy: -39.775281 where: bonds (distance) C4'-P energy: -10.282 bonds (distance) P-C4' energy: -11.668 flat angles C4'-P-C4' energy: -13.770 flat angles P-C4'-P energy: -0.650 tors. eta vs tors. theta energy: -3.405 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: 10 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -66.729636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.729636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.729636 (E_RNA) where: Base-Base interactions energy: -24.136 where: short stacking energy: -24.136 Base-Backbone interact. energy: -0.114 local terms energy: -42.479567 where: bonds (distance) C4'-P energy: -10.878 bonds (distance) P-C4' energy: -9.803 flat angles C4'-P-C4' energy: -10.798 flat angles P-C4'-P energy: -8.042 tors. eta vs tors. theta energy: -2.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -187.765978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.765978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.765978 (E_RNA) where: Base-Base interactions energy: -127.870 where: short stacking energy: -52.488 Base-Backbone interact. energy: -0.002 local terms energy: -59.893985 where: bonds (distance) C4'-P energy: -11.720 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -12.240 flat angles P-C4'-P energy: -9.715 tors. eta vs tors. theta energy: -12.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -185.848559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.848559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.848559 (E_RNA) where: Base-Base interactions energy: -133.523 where: short stacking energy: -50.751 Base-Backbone interact. energy: -0.334 local terms energy: -51.991625 where: bonds (distance) C4'-P energy: -9.367 bonds (distance) P-C4' energy: -12.279 flat angles C4'-P-C4' energy: -8.613 flat angles P-C4'-P energy: -7.478 tors. eta vs tors. theta energy: -14.256 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: 2 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -182.154224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.154224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.154224 (E_RNA) where: Base-Base interactions energy: -117.393 where: short stacking energy: -50.840 Base-Backbone interact. energy: -0.055 local terms energy: -64.706541 where: bonds (distance) C4'-P energy: -13.718 bonds (distance) P-C4' energy: -12.080 flat angles C4'-P-C4' energy: -13.729 flat angles P-C4'-P energy: -9.924 tors. eta vs tors. theta energy: -15.255 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: 4, replica: 1 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -181.990468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.990468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.990468 (E_RNA) where: Base-Base interactions energy: -124.548 where: short stacking energy: -47.138 Base-Backbone interact. energy: -0.633 local terms energy: -56.808759 where: bonds (distance) C4'-P energy: -11.845 bonds (distance) P-C4' energy: -10.959 flat angles C4'-P-C4' energy: -13.414 flat angles P-C4'-P energy: -6.881 tors. eta vs tors. theta energy: -13.709 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: 7 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -176.951659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.951659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.951659 (E_RNA) where: Base-Base interactions energy: -122.239 where: short stacking energy: -48.397 Base-Backbone interact. energy: -0.123 local terms energy: -54.590502 where: bonds (distance) C4'-P energy: -12.861 bonds (distance) P-C4' energy: -12.267 flat angles C4'-P-C4' energy: -9.613 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: -12.841 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: 6, replica: 6 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -172.460037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.460037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.460037 (E_RNA) where: Base-Base interactions energy: -114.526 where: short stacking energy: -44.683 Base-Backbone interact. energy: 0.138 local terms energy: -58.072515 where: bonds (distance) C4'-P energy: -11.392 bonds (distance) P-C4' energy: -11.524 flat angles C4'-P-C4' energy: -12.053 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -17.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -171.647555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.647555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.647555 (E_RNA) where: Base-Base interactions energy: -120.237 where: short stacking energy: -45.462 Base-Backbone interact. energy: -0.001 local terms energy: -51.409176 where: bonds (distance) C4'-P energy: -13.057 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -9.406 flat angles P-C4'-P energy: -8.276 tors. eta vs tors. theta energy: -12.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -71.262181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.262181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.262181 (E_RNA) where: Base-Base interactions energy: -21.423 where: short stacking energy: -19.543 Base-Backbone interact. energy: -0.145 local terms energy: -49.694059 where: bonds (distance) C4'-P energy: -11.358 bonds (distance) P-C4' energy: -11.629 flat angles C4'-P-C4' energy: -15.314 flat angles P-C4'-P energy: -8.005 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -65.185286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.185286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.185286 (E_RNA) where: Base-Base interactions energy: -30.946 where: short stacking energy: -10.513 Base-Backbone interact. energy: -1.491 local terms energy: -32.748178 where: bonds (distance) C4'-P energy: -11.090 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -5.714 tors. eta vs tors. theta energy: 4.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -71.155182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.155182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.155182 (E_RNA) where: Base-Base interactions energy: -26.702 where: short stacking energy: -26.893 Base-Backbone interact. energy: -0.003 local terms energy: -44.450009 where: bonds (distance) C4'-P energy: -11.313 bonds (distance) P-C4' energy: -10.342 flat angles C4'-P-C4' energy: -10.871 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -6.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -193.843329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.843329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.843329 (E_RNA) where: Base-Base interactions energy: -133.467 where: short stacking energy: -54.005 Base-Backbone interact. energy: -0.027 local terms energy: -60.349338 where: bonds (distance) C4'-P energy: -10.046 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -6.585 tors. eta vs tors. theta energy: -15.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -186.161264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.161264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.161264 (E_RNA) where: Base-Base interactions energy: -125.423 where: short stacking energy: -46.420 Base-Backbone interact. energy: -0.009 local terms energy: -60.729312 where: bonds (distance) C4'-P energy: -11.508 bonds (distance) P-C4' energy: -12.205 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -16.383 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: 1 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -186.336689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.336689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.336689 (E_RNA) where: Base-Base interactions energy: -127.707 where: short stacking energy: -49.105 Base-Backbone interact. energy: -0.006 local terms energy: -58.624113 where: bonds (distance) C4'-P energy: -11.950 bonds (distance) P-C4' energy: -13.995 flat angles C4'-P-C4' energy: -13.156 flat angles P-C4'-P energy: -8.446 tors. eta vs tors. theta energy: -11.077 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: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -180.120994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.120994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.120994 (E_RNA) where: Base-Base interactions energy: -125.577 where: short stacking energy: -51.419 Base-Backbone interact. energy: -0.885 local terms energy: -53.659076 where: bonds (distance) C4'-P energy: -10.229 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -11.986 flat angles P-C4'-P energy: -1.938 tors. eta vs tors. theta energy: -15.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -175.375272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.375272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.375272 (E_RNA) where: Base-Base interactions energy: -119.839 where: short stacking energy: -47.514 Base-Backbone interact. energy: 1.299 local terms energy: -56.835713 where: bonds (distance) C4'-P energy: -12.022 bonds (distance) P-C4' energy: -10.086 flat angles C4'-P-C4' energy: -9.818 flat angles P-C4'-P energy: -9.186 tors. eta vs tors. theta energy: -15.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -176.266606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.266606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.266606 (E_RNA) where: Base-Base interactions energy: -120.889 where: short stacking energy: -48.565 Base-Backbone interact. energy: -0.454 local terms energy: -54.923862 where: bonds (distance) C4'-P energy: -10.966 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -13.756 flat angles P-C4'-P energy: -10.760 tors. eta vs tors. theta energy: -10.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -172.943209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.943209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.943209 (E_RNA) where: Base-Base interactions energy: -119.430 where: short stacking energy: -49.500 Base-Backbone interact. energy: -0.003 local terms energy: -53.509780 where: bonds (distance) C4'-P energy: -10.424 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -9.292 flat angles P-C4'-P energy: -10.718 tors. eta vs tors. theta energy: -14.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -83.518452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.518452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.518452 (E_RNA) where: Base-Base interactions energy: -40.872 where: short stacking energy: -22.524 Base-Backbone interact. energy: 0.016 local terms energy: -42.661952 where: bonds (distance) C4'-P energy: -9.330 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -8.575 flat angles P-C4'-P energy: -8.898 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -63.271087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.271087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.271087 (E_RNA) where: Base-Base interactions energy: -24.002 where: short stacking energy: -22.061 Base-Backbone interact. energy: -0.089 local terms energy: -39.180391 where: bonds (distance) C4'-P energy: -3.636 bonds (distance) P-C4' energy: -13.812 flat angles C4'-P-C4' energy: -13.138 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -4.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -63.897785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.897785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.897785 (E_RNA) where: Base-Base interactions energy: -21.700 where: short stacking energy: -21.700 Base-Backbone interact. energy: -0.002 local terms energy: -42.195654 where: bonds (distance) C4'-P energy: -9.338 bonds (distance) P-C4' energy: -11.123 flat angles C4'-P-C4' energy: -10.114 flat angles P-C4'-P energy: -8.531 tors. eta vs tors. theta energy: -3.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -191.489451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.489451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.489451 (E_RNA) where: Base-Base interactions energy: -132.293 where: short stacking energy: -49.175 Base-Backbone interact. energy: -0.522 local terms energy: -58.674328 where: bonds (distance) C4'-P energy: -8.842 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -12.681 flat angles P-C4'-P energy: -10.567 tors. eta vs tors. theta energy: -12.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -186.805426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.805426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.805426 (E_RNA) where: Base-Base interactions energy: -125.594 where: short stacking energy: -48.929 Base-Backbone interact. energy: -0.616 local terms energy: -60.595449 where: bonds (distance) C4'-P energy: -10.974 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -14.223 flat angles P-C4'-P energy: -8.812 tors. eta vs tors. theta energy: -13.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -184.955672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.955672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.955672 (E_RNA) where: Base-Base interactions energy: -124.090 where: short stacking energy: -48.710 Base-Backbone interact. energy: -0.111 local terms energy: -60.754722 where: bonds (distance) C4'-P energy: -12.419 bonds (distance) P-C4' energy: -9.961 flat angles C4'-P-C4' energy: -13.079 flat angles P-C4'-P energy: -8.943 tors. eta vs tors. theta energy: -16.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -178.561251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.561251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.561251 (E_RNA) where: Base-Base interactions energy: -122.254 where: short stacking energy: -46.471 Base-Backbone interact. energy: -0.094 local terms energy: -56.213400 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -10.582 flat angles C4'-P-C4' energy: -10.647 flat angles P-C4'-P energy: -8.226 tors. eta vs tors. theta energy: -15.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -177.205452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.205452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.205452 (E_RNA) where: Base-Base interactions energy: -120.537 where: short stacking energy: -46.918 Base-Backbone interact. energy: -0.002 local terms energy: -56.666559 where: bonds (distance) C4'-P energy: -10.899 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -13.961 flat angles P-C4'-P energy: -6.630 tors. eta vs tors. theta energy: -13.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -176.878743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.878743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.878743 (E_RNA) where: Base-Base interactions energy: -123.195 where: short stacking energy: -52.452 Base-Backbone interact. energy: -0.114 local terms energy: -53.570148 where: bonds (distance) C4'-P energy: -8.437 bonds (distance) P-C4' energy: -10.610 flat angles C4'-P-C4' energy: -12.192 flat angles P-C4'-P energy: -7.668 tors. eta vs tors. theta energy: -14.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -171.013705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.013705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.013705 (E_RNA) where: Base-Base interactions energy: -116.724 where: short stacking energy: -44.808 Base-Backbone interact. energy: -0.076 local terms energy: -54.213310 where: bonds (distance) C4'-P energy: -12.038 bonds (distance) P-C4' energy: -11.483 flat angles C4'-P-C4' energy: -11.655 flat angles P-C4'-P energy: -8.630 tors. eta vs tors. theta energy: -10.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -71.599255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.599255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.599255 (E_RNA) where: Base-Base interactions energy: -26.559 where: short stacking energy: -23.688 Base-Backbone interact. energy: -0.056 local terms energy: -44.984275 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -11.943 flat angles C4'-P-C4' energy: -8.819 flat angles P-C4'-P energy: -8.228 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: 9, replica: 4 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -85.867405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.867405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.867405 (E_RNA) where: Base-Base interactions energy: -45.191 where: short stacking energy: -23.633 Base-Backbone interact. energy: -0.406 local terms energy: -40.270523 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -12.415 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -8.679 tors. eta vs tors. theta energy: -8.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -60.508734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.508734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.508734 (E_RNA) where: Base-Base interactions energy: -29.329 where: short stacking energy: -12.340 Base-Backbone interact. energy: -0.328 local terms energy: -30.851265 where: bonds (distance) C4'-P energy: -10.589 bonds (distance) P-C4' energy: -9.325 flat angles C4'-P-C4' energy: -10.741 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: 4.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -183.702881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.702881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.702881 (E_RNA) where: Base-Base interactions energy: -126.576 where: short stacking energy: -52.490 Base-Backbone interact. energy: -0.102 local terms energy: -57.024522 where: bonds (distance) C4'-P energy: -10.022 bonds (distance) P-C4' energy: -10.948 flat angles C4'-P-C4' energy: -12.572 flat angles P-C4'-P energy: -8.463 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: 2, replica: 9 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -183.255534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.255534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.255534 (E_RNA) where: Base-Base interactions energy: -120.731 where: short stacking energy: -50.918 Base-Backbone interact. energy: 0.501 local terms energy: -63.025385 where: bonds (distance) C4'-P energy: -12.556 bonds (distance) P-C4' energy: -12.525 flat angles C4'-P-C4' energy: -12.233 flat angles P-C4'-P energy: -9.538 tors. eta vs tors. theta energy: -16.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -186.270812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.270812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.270812 (E_RNA) where: Base-Base interactions energy: -123.121 where: short stacking energy: -55.303 Base-Backbone interact. energy: 0.365 local terms energy: -63.515193 where: bonds (distance) C4'-P energy: -14.125 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -9.910 tors. eta vs tors. theta energy: -13.006 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: 398 Temperature: 1.050000 Total energy: -187.013775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.013775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.013775 (E_RNA) where: Base-Base interactions energy: -124.870 where: short stacking energy: -52.588 Base-Backbone interact. energy: -0.001 local terms energy: -62.142415 where: bonds (distance) C4'-P energy: -10.763 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -13.944 flat angles P-C4'-P energy: -10.335 tors. eta vs tors. theta energy: -13.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -181.480133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.480133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.480133 (E_RNA) where: Base-Base interactions energy: -125.182 where: short stacking energy: -48.311 Base-Backbone interact. energy: -0.701 local terms energy: -55.596964 where: bonds (distance) C4'-P energy: -8.915 bonds (distance) P-C4' energy: -12.520 flat angles C4'-P-C4' energy: -13.675 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -15.076 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: 2 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -173.966672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.966672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.966672 (E_RNA) where: Base-Base interactions energy: -120.206 where: short stacking energy: -47.094 Base-Backbone interact. energy: -0.006 local terms energy: -53.754635 where: bonds (distance) C4'-P energy: -11.488 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -9.942 flat angles P-C4'-P energy: -2.579 tors. eta vs tors. theta energy: -15.519 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: 7 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -175.433156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.433156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.433156 (E_RNA) where: Base-Base interactions energy: -118.846 where: short stacking energy: -46.130 Base-Backbone interact. energy: -0.391 local terms energy: -56.195945 where: bonds (distance) C4'-P energy: -11.852 bonds (distance) P-C4' energy: -13.073 flat angles C4'-P-C4' energy: -11.933 flat angles P-C4'-P energy: -8.334 tors. eta vs tors. theta energy: -11.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -80.797638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.797638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.797638 (E_RNA) where: Base-Base interactions energy: -27.526 where: short stacking energy: -27.526 Base-Backbone interact. energy: -0.211 local terms energy: -53.060268 where: bonds (distance) C4'-P energy: -9.236 bonds (distance) P-C4' energy: -11.708 flat angles C4'-P-C4' energy: -12.808 flat angles P-C4'-P energy: -11.126 tors. eta vs tors. theta energy: -8.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -145.622120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.622120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.622120 (E_RNA) where: Base-Base interactions energy: -97.142 where: short stacking energy: -34.067 Base-Backbone interact. energy: 3.035 local terms energy: -51.514916 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -13.149 flat angles C4'-P-C4' energy: -8.136 flat angles P-C4'-P energy: -8.396 tors. eta vs tors. theta energy: -8.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -62.881108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.881108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.881108 (E_RNA) where: Base-Base interactions energy: -22.443 where: short stacking energy: -15.813 Base-Backbone interact. energy: -0.230 local terms energy: -40.207639 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -12.857 flat angles C4'-P-C4' energy: -6.720 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -1.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -192.682823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.682823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.682823 (E_RNA) where: Base-Base interactions energy: -136.603 where: short stacking energy: -57.163 Base-Backbone interact. energy: -0.013 local terms energy: -56.066982 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -15.282 flat angles P-C4'-P energy: -2.393 tors. eta vs tors. theta energy: -13.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -182.256074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.256074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.256074 (E_RNA) where: Base-Base interactions energy: -119.455 where: short stacking energy: -50.795 Base-Backbone interact. energy: -0.578 local terms energy: -62.223480 where: bonds (distance) C4'-P energy: -12.758 bonds (distance) P-C4' energy: -11.003 flat angles C4'-P-C4' energy: -11.940 flat angles P-C4'-P energy: -11.475 tors. eta vs tors. theta energy: -15.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -184.575017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.575017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.575017 (E_RNA) where: Base-Base interactions energy: -126.298 where: short stacking energy: -54.230 Base-Backbone interact. energy: -0.000 local terms energy: -58.276624 where: bonds (distance) C4'-P energy: -8.966 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -12.698 flat angles P-C4'-P energy: -7.191 tors. eta vs tors. theta energy: -16.837 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: 5 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -185.188412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.188412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.188412 (E_RNA) where: Base-Base interactions energy: -125.650 where: short stacking energy: -48.537 Base-Backbone interact. energy: -0.003 local terms energy: -59.535416 where: bonds (distance) C4'-P energy: -13.375 bonds (distance) P-C4' energy: -13.165 flat angles C4'-P-C4' energy: -14.276 flat angles P-C4'-P energy: -5.327 tors. eta vs tors. theta energy: -13.392 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: 3 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -182.015919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.015919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.015919 (E_RNA) where: Base-Base interactions energy: -117.069 where: short stacking energy: -47.287 Base-Backbone interact. energy: -0.813 local terms energy: -64.133666 where: bonds (distance) C4'-P energy: -10.532 bonds (distance) P-C4' energy: -14.525 flat angles C4'-P-C4' energy: -12.718 flat angles P-C4'-P energy: -9.695 tors. eta vs tors. theta energy: -16.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -171.818755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.818755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.818755 (E_RNA) where: Base-Base interactions energy: -115.665 where: short stacking energy: -42.658 Base-Backbone interact. energy: -0.013 local terms energy: -56.140652 where: bonds (distance) C4'-P energy: -10.352 bonds (distance) P-C4' energy: -14.287 flat angles C4'-P-C4' energy: -8.752 flat angles P-C4'-P energy: -9.338 tors. eta vs tors. theta energy: -13.412 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: 399 Temperature: 1.200000 Total energy: -172.240494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.240494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.240494 (E_RNA) where: Base-Base interactions energy: -118.598 where: short stacking energy: -45.942 Base-Backbone interact. energy: -0.018 local terms energy: -53.624403 where: bonds (distance) C4'-P energy: -11.371 bonds (distance) P-C4' energy: -9.890 flat angles C4'-P-C4' energy: -12.928 flat angles P-C4'-P energy: -3.081 tors. eta vs tors. theta energy: -16.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -165.987158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.987158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.987158 (E_RNA) where: Base-Base interactions energy: -112.871 where: short stacking energy: -48.752 Base-Backbone interact. energy: -0.001 local terms energy: -53.115087 where: bonds (distance) C4'-P energy: -12.788 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -13.389 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -13.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -67.589374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.589374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.589374 (E_RNA) where: Base-Base interactions energy: -27.142 where: short stacking energy: -20.555 Base-Backbone interact. energy: -0.069 local terms energy: -40.378620 where: bonds (distance) C4'-P energy: -12.645 bonds (distance) P-C4' energy: -5.024 flat angles C4'-P-C4' energy: -11.782 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -6.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -67.685699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.685699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.685699 (E_RNA) where: Base-Base interactions energy: -23.596 where: short stacking energy: -23.135 Base-Backbone interact. energy: 0.552 local terms energy: -44.641895 where: bonds (distance) C4'-P energy: -9.359 bonds (distance) P-C4' energy: -11.981 flat angles C4'-P-C4' energy: -9.714 flat angles P-C4'-P energy: -6.996 tors. eta vs tors. theta energy: -6.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -186.045496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.045496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.045496 (E_RNA) where: Base-Base interactions energy: -128.955 where: short stacking energy: -54.526 Base-Backbone interact. energy: -0.003 local terms energy: -57.086881 where: bonds (distance) C4'-P energy: -12.697 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -15.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -189.235922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.235922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.235922 (E_RNA) where: Base-Base interactions energy: -126.895 where: short stacking energy: -47.522 Base-Backbone interact. energy: -0.004 local terms energy: -62.336893 where: bonds (distance) C4'-P energy: -12.001 bonds (distance) P-C4' energy: -14.050 flat angles C4'-P-C4' energy: -15.303 flat angles P-C4'-P energy: -7.037 tors. eta vs tors. theta energy: -13.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -183.560612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.560612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.560612 (E_RNA) where: Base-Base interactions energy: -120.307 where: short stacking energy: -48.586 Base-Backbone interact. energy: -0.554 local terms energy: -62.699365 where: bonds (distance) C4'-P energy: -12.216 bonds (distance) P-C4' energy: -13.668 flat angles C4'-P-C4' energy: -11.895 flat angles P-C4'-P energy: -9.100 tors. eta vs tors. theta energy: -15.821 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: 4, replica: 9 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -174.279761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.279761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.279761 (E_RNA) where: Base-Base interactions energy: -114.662 where: short stacking energy: -47.269 Base-Backbone interact. energy: -0.204 local terms energy: -59.413406 where: bonds (distance) C4'-P energy: -11.226 bonds (distance) P-C4' energy: -14.904 flat angles C4'-P-C4' energy: -11.492 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -13.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -179.255213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.255213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.255213 (E_RNA) where: Base-Base interactions energy: -123.852 where: short stacking energy: -48.653 Base-Backbone interact. energy: -0.242 local terms energy: -55.161484 where: bonds (distance) C4'-P energy: -11.595 bonds (distance) P-C4' energy: -10.720 flat angles C4'-P-C4' energy: -13.176 flat angles P-C4'-P energy: -10.216 tors. eta vs tors. theta energy: -9.455 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: 7 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -181.077174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.077174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.077174 (E_RNA) where: Base-Base interactions energy: -120.705 where: short stacking energy: -46.129 Base-Backbone interact. energy: -0.000 local terms energy: -60.372423 where: bonds (distance) C4'-P energy: -10.590 bonds (distance) P-C4' energy: -12.629 flat angles C4'-P-C4' energy: -14.124 flat angles P-C4'-P energy: -9.035 tors. eta vs tors. theta energy: -13.994 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: 2 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -168.789189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.789189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.789189 (E_RNA) where: Base-Base interactions energy: -114.738 where: short stacking energy: -46.113 Base-Backbone interact. energy: -0.044 local terms energy: -54.007660 where: bonds (distance) C4'-P energy: -12.282 bonds (distance) P-C4' energy: -9.910 flat angles C4'-P-C4' energy: -10.216 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: -16.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -173.571157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.571157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.571157 (E_RNA) where: Base-Base interactions energy: -119.452 where: short stacking energy: -50.130 Base-Backbone interact. energy: -0.001 local terms energy: -54.118456 where: bonds (distance) C4'-P energy: -13.719 bonds (distance) P-C4' energy: -10.825 flat angles C4'-P-C4' energy: -8.067 flat angles P-C4'-P energy: -7.618 tors. eta vs tors. theta energy: -13.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -62.938267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.938267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.938267 (E_RNA) where: Base-Base interactions energy: -17.913 where: short stacking energy: -17.913 Base-Backbone interact. energy: 1.665 local terms energy: -46.690760 where: bonds (distance) C4'-P energy: -9.559 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -12.476 flat angles P-C4'-P energy: -8.805 tors. eta vs tors. theta energy: -1.412 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: 4 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -70.201841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.201841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.201841 (E_RNA) where: Base-Base interactions energy: -17.979 where: short stacking energy: -17.979 Base-Backbone interact. energy: -0.545 local terms energy: -51.677942 where: bonds (distance) C4'-P energy: -12.004 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -10.034 flat angles P-C4'-P energy: -9.952 tors. eta vs tors. theta energy: -7.040 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: 6 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -195.385727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.385727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.385727 (E_RNA) where: Base-Base interactions energy: -134.707 where: short stacking energy: -56.714 Base-Backbone interact. energy: 0.382 local terms energy: -61.060791 where: bonds (distance) C4'-P energy: -13.798 bonds (distance) P-C4' energy: -9.877 flat angles C4'-P-C4' energy: -14.997 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -16.159 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: 1 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -183.859813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.859813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.859813 (E_RNA) where: Base-Base interactions energy: -118.227 where: short stacking energy: -46.809 Base-Backbone interact. energy: 0.013 local terms energy: -65.646275 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -13.279 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -15.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -183.752054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.752054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.752054 (E_RNA) where: Base-Base interactions energy: -132.399 where: short stacking energy: -47.222 Base-Backbone interact. energy: -0.004 local terms energy: -51.348961 where: bonds (distance) C4'-P energy: -10.767 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -11.272 flat angles P-C4'-P energy: -7.149 tors. eta vs tors. theta energy: -14.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -184.274610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.274610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.274610 (E_RNA) where: Base-Base interactions energy: -122.898 where: short stacking energy: -52.124 Base-Backbone interact. energy: -0.023 local terms energy: -61.353944 where: bonds (distance) C4'-P energy: -13.028 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -8.198 tors. eta vs tors. theta energy: -15.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -173.155352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.155352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.155352 (E_RNA) where: Base-Base interactions energy: -117.027 where: short stacking energy: -42.087 Base-Backbone interact. energy: -0.456 local terms energy: -55.672180 where: bonds (distance) C4'-P energy: -12.638 bonds (distance) P-C4' energy: -11.778 flat angles C4'-P-C4' energy: -9.031 flat angles P-C4'-P energy: -9.727 tors. eta vs tors. theta energy: -12.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -175.048231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.048231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.048231 (E_RNA) where: Base-Base interactions energy: -121.128 where: short stacking energy: -40.175 Base-Backbone interact. energy: 0.776 local terms energy: -54.696110 where: bonds (distance) C4'-P energy: -9.243 bonds (distance) P-C4' energy: -11.325 flat angles C4'-P-C4' energy: -10.668 flat angles P-C4'-P energy: -11.999 tors. eta vs tors. theta energy: -11.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -172.295636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.295636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.295636 (E_RNA) where: Base-Base interactions energy: -121.350 where: short stacking energy: -50.728 Base-Backbone interact. energy: -0.067 local terms energy: -50.878452 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -10.294 flat angles C4'-P-C4' energy: -12.033 flat angles P-C4'-P energy: -7.072 tors. eta vs tors. theta energy: -13.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -70.612856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.612856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.612856 (E_RNA) where: Base-Base interactions energy: -26.425 where: short stacking energy: -25.335 Base-Backbone interact. energy: -0.109 local terms energy: -44.078771 where: bonds (distance) C4'-P energy: -11.273 bonds (distance) P-C4' energy: -10.010 flat angles C4'-P-C4' energy: -10.354 flat angles P-C4'-P energy: -6.933 tors. eta vs tors. theta energy: -5.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -165.798860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.798860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.798860 (E_RNA) where: Base-Base interactions energy: -108.329 where: short stacking energy: -40.202 Base-Backbone interact. energy: -0.016 local terms energy: -57.453855 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -12.671 flat angles C4'-P-C4' energy: -12.707 flat angles P-C4'-P energy: -10.020 tors. eta vs tors. theta energy: -13.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -60.701106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.701106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.701106 (E_RNA) where: Base-Base interactions energy: -14.702 where: short stacking energy: -14.702 Base-Backbone interact. energy: -0.111 local terms energy: -45.888210 where: bonds (distance) C4'-P energy: -10.647 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -10.666 flat angles P-C4'-P energy: -9.066 tors. eta vs tors. theta energy: -2.491 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: 1 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -184.801998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.801998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.801998 (E_RNA) where: Base-Base interactions energy: -123.786 where: short stacking energy: -46.892 Base-Backbone interact. energy: -0.007 local terms energy: -61.008591 where: bonds (distance) C4'-P energy: -13.557 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -12.568 flat angles P-C4'-P energy: -7.724 tors. eta vs tors. theta energy: -13.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -184.767893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.767893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.767893 (E_RNA) where: Base-Base interactions energy: -123.248 where: short stacking energy: -46.133 Base-Backbone interact. energy: -0.002 local terms energy: -61.517826 where: bonds (distance) C4'-P energy: -13.313 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -11.597 flat angles P-C4'-P energy: -9.277 tors. eta vs tors. theta energy: -14.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -188.607787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.607787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.607787 (E_RNA) where: Base-Base interactions energy: -123.719 where: short stacking energy: -48.628 Base-Backbone interact. energy: -0.003 local terms energy: -64.886466 where: bonds (distance) C4'-P energy: -13.586 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -13.076 flat angles P-C4'-P energy: -11.667 tors. eta vs tors. theta energy: -14.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -171.117953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.117953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.117953 (E_RNA) where: Base-Base interactions energy: -118.863 where: short stacking energy: -41.599 Base-Backbone interact. energy: 1.270 local terms energy: -53.525002 where: bonds (distance) C4'-P energy: -11.142 bonds (distance) P-C4' energy: -14.196 flat angles C4'-P-C4' energy: -10.442 flat angles P-C4'-P energy: -7.113 tors. eta vs tors. theta energy: -10.633 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: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -177.844112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.844112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.844112 (E_RNA) where: Base-Base interactions energy: -121.311 where: short stacking energy: -46.235 Base-Backbone interact. energy: -0.020 local terms energy: -56.513244 where: bonds (distance) C4'-P energy: -14.054 bonds (distance) P-C4' energy: -11.042 flat angles C4'-P-C4' energy: -9.664 flat angles P-C4'-P energy: -8.186 tors. eta vs tors. theta energy: -13.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -169.677785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.677785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.677785 (E_RNA) where: Base-Base interactions energy: -119.321 where: short stacking energy: -46.981 Base-Backbone interact. energy: -0.023 local terms energy: -50.334663 where: bonds (distance) C4'-P energy: -12.207 bonds (distance) P-C4' energy: -7.471 flat angles C4'-P-C4' energy: -11.597 flat angles P-C4'-P energy: -8.404 tors. eta vs tors. theta energy: -10.656 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: 7, replica: 7 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -174.301718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.301718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.301718 (E_RNA) where: Base-Base interactions energy: -124.182 where: short stacking energy: -47.347 Base-Backbone interact. energy: -0.095 local terms energy: -50.024407 where: bonds (distance) C4'-P energy: -9.740 bonds (distance) P-C4' energy: -9.949 flat angles C4'-P-C4' energy: -9.888 flat angles P-C4'-P energy: -8.059 tors. eta vs tors. theta energy: -12.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -71.997472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.997472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.997472 (E_RNA) where: Base-Base interactions energy: -22.743 where: short stacking energy: -22.663 Base-Backbone interact. energy: -0.030 local terms energy: -49.224879 where: bonds (distance) C4'-P energy: -13.959 bonds (distance) P-C4' energy: -10.514 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -9.056 tors. eta vs tors. theta energy: -7.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -169.744264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.744264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.744264 (E_RNA) where: Base-Base interactions energy: -113.833 where: short stacking energy: -46.223 Base-Backbone interact. energy: -0.007 local terms energy: -55.904299 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -9.206 tors. eta vs tors. theta energy: -14.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -53.509203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.509203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.509203 (E_RNA) where: Base-Base interactions energy: -21.593 where: short stacking energy: -17.755 Base-Backbone interact. energy: -0.555 local terms energy: -31.361292 where: bonds (distance) C4'-P energy: -6.432 bonds (distance) P-C4' energy: -8.956 flat angles C4'-P-C4' energy: -9.255 flat angles P-C4'-P energy: -6.255 tors. eta vs tors. theta energy: -0.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -189.479196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.479196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.479196 (E_RNA) where: Base-Base interactions energy: -133.814 where: short stacking energy: -51.199 Base-Backbone interact. energy: -0.144 local terms energy: -55.520476 where: bonds (distance) C4'-P energy: -11.355 bonds (distance) P-C4' energy: -10.690 flat angles C4'-P-C4' energy: -11.172 flat angles P-C4'-P energy: -7.130 tors. eta vs tors. theta energy: -15.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -187.878453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.878453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.878453 (E_RNA) where: Base-Base interactions energy: -131.780 where: short stacking energy: -54.229 Base-Backbone interact. energy: -0.044 local terms energy: -56.054292 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -10.956 flat angles C4'-P-C4' energy: -12.085 flat angles P-C4'-P energy: -6.368 tors. eta vs tors. theta energy: -15.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -181.956811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.956811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.956811 (E_RNA) where: Base-Base interactions energy: -125.267 where: short stacking energy: -54.792 Base-Backbone interact. energy: -0.026 local terms energy: -56.663873 where: bonds (distance) C4'-P energy: -11.081 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -13.573 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -15.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -183.516243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.516243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.516243 (E_RNA) where: Base-Base interactions energy: -124.942 where: short stacking energy: -51.132 Base-Backbone interact. energy: -0.519 local terms energy: -58.055334 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -8.998 flat angles P-C4'-P energy: -10.232 tors. eta vs tors. theta energy: -12.457 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: 5, replica: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -173.103879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.103879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.103879 (E_RNA) where: Base-Base interactions energy: -119.987 where: short stacking energy: -47.239 Base-Backbone interact. energy: -0.006 local terms energy: -53.110808 where: bonds (distance) C4'-P energy: -13.868 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -8.282 flat angles P-C4'-P energy: -8.545 tors. eta vs tors. theta energy: -10.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -174.876711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.876711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.876711 (E_RNA) where: Base-Base interactions energy: -125.499 where: short stacking energy: -43.834 Base-Backbone interact. energy: -0.102 local terms energy: -49.275965 where: bonds (distance) C4'-P energy: -8.975 bonds (distance) P-C4' energy: -9.255 flat angles C4'-P-C4' energy: -12.893 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: -13.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -165.403273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.403273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.403273 (E_RNA) where: Base-Base interactions energy: -117.743 where: short stacking energy: -48.062 Base-Backbone interact. energy: -0.003 local terms energy: -47.657449 where: bonds (distance) C4'-P energy: -10.104 bonds (distance) P-C4' energy: -9.908 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -7.192 tors. eta vs tors. theta energy: -12.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -163.694555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.694555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.694555 (E_RNA) where: Base-Base interactions energy: -111.031 where: short stacking energy: -47.657 Base-Backbone interact. energy: 0.224 local terms energy: -52.887492 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -11.438 flat angles C4'-P-C4' energy: -10.363 flat angles P-C4'-P energy: -7.262 tors. eta vs tors. theta energy: -16.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -75.836449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.836449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.836449 (E_RNA) where: Base-Base interactions energy: -31.026 where: short stacking energy: -31.026 Base-Backbone interact. energy: -0.013 local terms energy: -44.797425 where: bonds (distance) C4'-P energy: -10.287 bonds (distance) P-C4' energy: -11.676 flat angles C4'-P-C4' energy: -10.016 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -8.416 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: 4 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -70.693697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.693697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.693697 (E_RNA) where: Base-Base interactions energy: -22.880 where: short stacking energy: -22.278 Base-Backbone interact. energy: -0.069 local terms energy: -47.744740 where: bonds (distance) C4'-P energy: -12.473 bonds (distance) P-C4' energy: -13.731 flat angles C4'-P-C4' energy: -10.346 flat angles P-C4'-P energy: -8.261 tors. eta vs tors. theta energy: -2.934 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: 6 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -186.216377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.216377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.216377 (E_RNA) where: Base-Base interactions energy: -125.014 where: short stacking energy: -49.371 Base-Backbone interact. energy: -0.004 local terms energy: -61.198306 where: bonds (distance) C4'-P energy: -11.873 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -11.711 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -13.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -187.498666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.498666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.498666 (E_RNA) where: Base-Base interactions energy: -124.929 where: short stacking energy: -54.431 Base-Backbone interact. energy: -0.015 local terms energy: -62.554765 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -12.893 flat angles P-C4'-P energy: -10.001 tors. eta vs tors. theta energy: -13.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -182.726469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.726469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.726469 (E_RNA) where: Base-Base interactions energy: -122.110 where: short stacking energy: -51.000 Base-Backbone interact. energy: -0.620 local terms energy: -59.996067 where: bonds (distance) C4'-P energy: -14.733 bonds (distance) P-C4' energy: -10.592 flat angles C4'-P-C4' energy: -9.484 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -15.877 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: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -182.426922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.426922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.426922 (E_RNA) where: Base-Base interactions energy: -124.260 where: short stacking energy: -48.571 Base-Backbone interact. energy: -0.016 local terms energy: -58.151188 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -14.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -187.275676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.275676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.275676 (E_RNA) where: Base-Base interactions energy: -131.218 where: short stacking energy: -48.284 Base-Backbone interact. energy: 2.093 local terms energy: -58.151003 where: bonds (distance) C4'-P energy: -13.098 bonds (distance) P-C4' energy: -12.694 flat angles C4'-P-C4' energy: -10.185 flat angles P-C4'-P energy: -9.172 tors. eta vs tors. theta energy: -13.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -169.786602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.786602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.786602 (E_RNA) where: Base-Base interactions energy: -112.145 where: short stacking energy: -44.269 Base-Backbone interact. energy: -0.007 local terms energy: -57.634852 where: bonds (distance) C4'-P energy: -14.787 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -11.197 flat angles P-C4'-P energy: -4.719 tors. eta vs tors. theta energy: -12.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -166.021423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.021423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.021423 (E_RNA) where: Base-Base interactions energy: -119.437 where: short stacking energy: -47.588 Base-Backbone interact. energy: -0.003 local terms energy: -46.581456 where: bonds (distance) C4'-P energy: -7.359 bonds (distance) P-C4' energy: -12.919 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -7.155 tors. eta vs tors. theta energy: -14.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -147.092363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.092363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.092363 (E_RNA) where: Base-Base interactions energy: -94.263 where: short stacking energy: -42.231 Base-Backbone interact. energy: -0.011 local terms energy: -52.817970 where: bonds (distance) C4'-P energy: -10.428 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -10.111 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -10.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -68.395543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.395543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.395543 (E_RNA) where: Base-Base interactions energy: -26.668 where: short stacking energy: -18.406 Base-Backbone interact. energy: -0.213 local terms energy: -41.514975 where: bonds (distance) C4'-P energy: -7.310 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -8.227 flat angles P-C4'-P energy: -8.467 tors. eta vs tors. theta energy: -3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -65.858236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.858236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.858236 (E_RNA) where: Base-Base interactions energy: -20.925 where: short stacking energy: -19.493 Base-Backbone interact. energy: -1.940 local terms energy: -42.993058 where: bonds (distance) C4'-P energy: -10.564 bonds (distance) P-C4' energy: -10.517 flat angles C4'-P-C4' energy: -12.298 flat angles P-C4'-P energy: -9.758 tors. eta vs tors. theta energy: 0.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -187.844048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.844048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.844048 (E_RNA) where: Base-Base interactions energy: -126.338 where: short stacking energy: -48.263 Base-Backbone interact. energy: -0.021 local terms energy: -61.485347 where: bonds (distance) C4'-P energy: -13.462 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -11.674 flat angles P-C4'-P energy: -8.683 tors. eta vs tors. theta energy: -13.845 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: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -180.734466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.734466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.734466 (E_RNA) where: Base-Base interactions energy: -122.580 where: short stacking energy: -47.671 Base-Backbone interact. energy: -0.373 local terms energy: -57.781853 where: bonds (distance) C4'-P energy: -8.924 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -14.789 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -12.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -180.575023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.575023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.575023 (E_RNA) where: Base-Base interactions energy: -123.112 where: short stacking energy: -54.623 Base-Backbone interact. energy: -0.020 local terms energy: -57.443476 where: bonds (distance) C4'-P energy: -11.619 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -13.576 flat angles P-C4'-P energy: -10.365 tors. eta vs tors. theta energy: -10.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -200.526837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.526837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.526837 (E_RNA) where: Base-Base interactions energy: -144.950 where: short stacking energy: -61.673 Base-Backbone interact. energy: -0.167 local terms energy: -55.408889 where: bonds (distance) C4'-P energy: -10.762 bonds (distance) P-C4' energy: -7.772 flat angles C4'-P-C4' energy: -12.891 flat angles P-C4'-P energy: -6.783 tors. eta vs tors. theta energy: -17.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -176.807416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.807416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.807416 (E_RNA) where: Base-Base interactions energy: -118.347 where: short stacking energy: -47.038 Base-Backbone interact. energy: -0.153 local terms energy: -58.307539 where: bonds (distance) C4'-P energy: -11.321 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -10.530 flat angles P-C4'-P energy: -8.437 tors. eta vs tors. theta energy: -16.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -169.322168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.322168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.322168 (E_RNA) where: Base-Base interactions energy: -120.303 where: short stacking energy: -45.750 Base-Backbone interact. energy: -0.070 local terms energy: -48.949722 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -7.664 flat angles C4'-P-C4' energy: -9.477 flat angles P-C4'-P energy: -6.686 tors. eta vs tors. theta energy: -12.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -173.519409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.519409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.519409 (E_RNA) where: Base-Base interactions energy: -118.949 where: short stacking energy: -46.870 Base-Backbone interact. energy: -0.077 local terms energy: -54.493855 where: bonds (distance) C4'-P energy: -10.191 bonds (distance) P-C4' energy: -8.852 flat angles C4'-P-C4' energy: -12.794 flat angles P-C4'-P energy: -7.054 tors. eta vs tors. theta energy: -15.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -155.969736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.969736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.969736 (E_RNA) where: Base-Base interactions energy: -106.983 where: short stacking energy: -37.331 Base-Backbone interact. energy: -0.046 local terms energy: -48.940868 where: bonds (distance) C4'-P energy: -9.881 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -11.058 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: 405 Temperature: 1.300000 Total energy: -66.553419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.553419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.553419 (E_RNA) where: Base-Base interactions energy: -32.203 where: short stacking energy: -32.203 Base-Backbone interact. energy: 1.206 local terms energy: -35.556096 where: bonds (distance) C4'-P energy: -11.161 bonds (distance) P-C4' energy: -10.890 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -1.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -58.445528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.445528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.445528 (E_RNA) where: Base-Base interactions energy: -21.748 where: short stacking energy: -21.748 Base-Backbone interact. energy: -0.069 local terms energy: -36.628659 where: bonds (distance) C4'-P energy: -6.835 bonds (distance) P-C4' energy: -10.781 flat angles C4'-P-C4' energy: -9.038 flat angles P-C4'-P energy: -5.718 tors. eta vs tors. theta energy: -4.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -193.665451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.665451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.665451 (E_RNA) where: Base-Base interactions energy: -126.145 where: short stacking energy: -51.395 Base-Backbone interact. energy: -0.709 local terms energy: -66.811189 where: bonds (distance) C4'-P energy: -11.470 bonds (distance) P-C4' energy: -14.509 flat angles C4'-P-C4' energy: -14.529 flat angles P-C4'-P energy: -11.516 tors. eta vs tors. theta energy: -14.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -184.424822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.424822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.424822 (E_RNA) where: Base-Base interactions energy: -122.232 where: short stacking energy: -44.941 Base-Backbone interact. energy: -0.686 local terms energy: -61.506698 where: bonds (distance) C4'-P energy: -9.997 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -12.893 flat angles P-C4'-P energy: -8.049 tors. eta vs tors. theta energy: -15.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -184.253149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.253149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.253149 (E_RNA) where: Base-Base interactions energy: -129.632 where: short stacking energy: -48.673 Base-Backbone interact. energy: -0.523 local terms energy: -54.098278 where: bonds (distance) C4'-P energy: -8.329 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -11.286 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -14.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -181.717611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.717611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.717611 (E_RNA) where: Base-Base interactions energy: -122.459 where: short stacking energy: -50.850 Base-Backbone interact. energy: -0.000 local terms energy: -59.257854 where: bonds (distance) C4'-P energy: -11.401 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -10.623 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -14.096 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: 9 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -175.218190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.218190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.218190 (E_RNA) where: Base-Base interactions energy: -120.774 where: short stacking energy: -49.955 Base-Backbone interact. energy: -0.517 local terms energy: -53.926404 where: bonds (distance) C4'-P energy: -8.578 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -7.916 flat angles P-C4'-P energy: -8.832 tors. eta vs tors. theta energy: -15.995 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: 6, replica: 3 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -177.819059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.819059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.819059 (E_RNA) where: Base-Base interactions energy: -126.486 where: short stacking energy: -51.623 Base-Backbone interact. energy: -0.002 local terms energy: -51.330386 where: bonds (distance) C4'-P energy: -8.799 bonds (distance) P-C4' energy: -6.115 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -7.453 tors. eta vs tors. theta energy: -14.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -167.161235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.161235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.161235 (E_RNA) where: Base-Base interactions energy: -117.317 where: short stacking energy: -46.164 Base-Backbone interact. energy: -0.087 local terms energy: -49.757108 where: bonds (distance) C4'-P energy: -10.328 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -7.807 flat angles P-C4'-P energy: -7.112 tors. eta vs tors. theta energy: -16.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -156.863800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.863800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.863800 (E_RNA) where: Base-Base interactions energy: -107.738 where: short stacking energy: -41.929 Base-Backbone interact. energy: -0.083 local terms energy: -49.042370 where: bonds (distance) C4'-P energy: -11.214 bonds (distance) P-C4' energy: -9.004 flat angles C4'-P-C4' energy: -11.788 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -12.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -65.684899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.684899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.684899 (E_RNA) where: Base-Base interactions energy: -32.164 where: short stacking energy: -22.443 Base-Backbone interact. energy: 0.183 local terms energy: -33.703647 where: bonds (distance) C4'-P energy: -10.084 bonds (distance) P-C4' energy: -12.598 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -5.839 tors. eta vs tors. theta energy: -0.312 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: 406 Temperature: 1.350000 Total energy: -86.932258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.932258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.932258 (E_RNA) where: Base-Base interactions energy: -50.174 where: short stacking energy: -16.253 Base-Backbone interact. energy: -0.153 local terms energy: -36.605330 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -8.636 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: -5.327 tors. eta vs tors. theta energy: -3.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -186.316782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.316782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.316782 (E_RNA) where: Base-Base interactions energy: -125.405 where: short stacking energy: -48.324 Base-Backbone interact. energy: -0.007 local terms energy: -60.904571 where: bonds (distance) C4'-P energy: -10.373 bonds (distance) P-C4' energy: -13.862 flat angles C4'-P-C4' energy: -13.337 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -13.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -187.049650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.049650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.049650 (E_RNA) where: Base-Base interactions energy: -127.608 where: short stacking energy: -48.373 Base-Backbone interact. energy: -0.011 local terms energy: -59.430562 where: bonds (distance) C4'-P energy: -12.887 bonds (distance) P-C4' energy: -11.884 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -8.830 tors. eta vs tors. theta energy: -12.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -187.319456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.319456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.319456 (E_RNA) where: Base-Base interactions energy: -129.880 where: short stacking energy: -50.518 Base-Backbone interact. energy: -0.004 local terms energy: -57.435992 where: bonds (distance) C4'-P energy: -12.887 bonds (distance) P-C4' energy: -12.021 flat angles C4'-P-C4' energy: -12.355 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -16.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -178.341219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.341219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.341219 (E_RNA) where: Base-Base interactions energy: -117.062 where: short stacking energy: -42.086 Base-Backbone interact. energy: -0.348 local terms energy: -60.931181 where: bonds (distance) C4'-P energy: -12.154 bonds (distance) P-C4' energy: -13.031 flat angles C4'-P-C4' energy: -14.377 flat angles P-C4'-P energy: -9.155 tors. eta vs tors. theta energy: -12.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -181.056427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.056427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.056427 (E_RNA) where: Base-Base interactions energy: -128.412 where: short stacking energy: -53.079 Base-Backbone interact. energy: -0.003 local terms energy: -52.641402 where: bonds (distance) C4'-P energy: -12.373 bonds (distance) P-C4' energy: -9.312 flat angles C4'-P-C4' energy: -10.577 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -15.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -173.279132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.279132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.279132 (E_RNA) where: Base-Base interactions energy: -120.730 where: short stacking energy: -47.066 Base-Backbone interact. energy: -0.983 local terms energy: -51.566254 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -9.456 flat angles C4'-P-C4' energy: -8.694 flat angles P-C4'-P energy: -8.410 tors. eta vs tors. theta energy: -12.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -172.051702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.051702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.051702 (E_RNA) where: Base-Base interactions energy: -118.159 where: short stacking energy: -49.068 Base-Backbone interact. energy: 0.154 local terms energy: -54.046922 where: bonds (distance) C4'-P energy: -8.755 bonds (distance) P-C4' energy: -11.236 flat angles C4'-P-C4' energy: -10.938 flat angles P-C4'-P energy: -8.251 tors. eta vs tors. theta energy: -14.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -152.041696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.041696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.041696 (E_RNA) where: Base-Base interactions energy: -104.160 where: short stacking energy: -43.093 Base-Backbone interact. energy: 2.069 local terms energy: -49.949990 where: bonds (distance) C4'-P energy: -9.934 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -11.444 flat angles P-C4'-P energy: -9.396 tors. eta vs tors. theta energy: -6.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -63.038674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.038674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.038674 (E_RNA) where: Base-Base interactions energy: -19.296 where: short stacking energy: -18.481 Base-Backbone interact. energy: -0.134 local terms energy: -43.608761 where: bonds (distance) C4'-P energy: -12.476 bonds (distance) P-C4' energy: -12.789 flat angles C4'-P-C4' energy: -9.176 flat angles P-C4'-P energy: -7.122 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -78.947421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.947421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.947421 (E_RNA) where: Base-Base interactions energy: -33.524 where: short stacking energy: -23.244 Base-Backbone interact. energy: -0.062 local terms energy: -45.360833 where: bonds (distance) C4'-P energy: -9.124 bonds (distance) P-C4' energy: -13.147 flat angles C4'-P-C4' energy: -12.018 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -4.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -186.693490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.693490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.693490 (E_RNA) where: Base-Base interactions energy: -120.905 where: short stacking energy: -50.151 Base-Backbone interact. energy: -0.002 local terms energy: -65.786405 where: bonds (distance) C4'-P energy: -14.625 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -15.445 flat angles P-C4'-P energy: -8.473 tors. eta vs tors. theta energy: -13.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -195.785608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.785608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.785608 (E_RNA) where: Base-Base interactions energy: -132.254 where: short stacking energy: -54.152 Base-Backbone interact. energy: -0.098 local terms energy: -63.433818 where: bonds (distance) C4'-P energy: -11.640 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -12.378 flat angles P-C4'-P energy: -7.706 tors. eta vs tors. theta energy: -16.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -183.560957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.560957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.560957 (E_RNA) where: Base-Base interactions energy: -122.388 where: short stacking energy: -52.144 Base-Backbone interact. energy: -0.026 local terms energy: -61.146368 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -14.502 flat angles C4'-P-C4' energy: -11.247 flat angles P-C4'-P energy: -6.475 tors. eta vs tors. theta energy: -16.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -177.177307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.177307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.177307 (E_RNA) where: Base-Base interactions energy: -121.989 where: short stacking energy: -50.566 Base-Backbone interact. energy: -0.138 local terms energy: -55.050920 where: bonds (distance) C4'-P energy: -13.297 bonds (distance) P-C4' energy: -11.683 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -12.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -170.907236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.907236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.907236 (E_RNA) where: Base-Base interactions energy: -110.160 where: short stacking energy: -43.772 Base-Backbone interact. energy: -0.163 local terms energy: -60.585075 where: bonds (distance) C4'-P energy: -9.397 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -12.555 flat angles P-C4'-P energy: -9.113 tors. eta vs tors. theta energy: -16.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -168.849255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.849255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.849255 (E_RNA) where: Base-Base interactions energy: -113.677 where: short stacking energy: -44.597 Base-Backbone interact. energy: -0.621 local terms energy: -54.551149 where: bonds (distance) C4'-P energy: -13.756 bonds (distance) P-C4' energy: -9.250 flat angles C4'-P-C4' energy: -12.866 flat angles P-C4'-P energy: -5.934 tors. eta vs tors. theta energy: -12.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -162.797002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.797002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.797002 (E_RNA) where: Base-Base interactions energy: -115.284 where: short stacking energy: -46.328 Base-Backbone interact. energy: -0.039 local terms energy: -47.474501 where: bonds (distance) C4'-P energy: -10.246 bonds (distance) P-C4' energy: -10.342 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -6.593 tors. eta vs tors. theta energy: -13.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -169.182045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.182045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.182045 (E_RNA) where: Base-Base interactions energy: -116.129 where: short stacking energy: -44.939 Base-Backbone interact. energy: -0.210 local terms energy: -52.843205 where: bonds (distance) C4'-P energy: -7.627 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -11.643 flat angles P-C4'-P energy: -9.004 tors. eta vs tors. theta energy: -11.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -65.600607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.600607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.600607 (E_RNA) where: Base-Base interactions energy: -20.284 where: short stacking energy: -20.284 Base-Backbone interact. energy: -0.134 local terms energy: -45.182333 where: bonds (distance) C4'-P energy: -11.933 bonds (distance) P-C4' energy: -12.049 flat angles C4'-P-C4' energy: -11.716 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: -2.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -68.598175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.598175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.598175 (E_RNA) where: Base-Base interactions energy: -25.896 where: short stacking energy: -24.770 Base-Backbone interact. energy: -0.075 local terms energy: -42.627578 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -11.617 flat angles P-C4'-P energy: -6.506 tors. eta vs tors. theta energy: -2.418 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: 5 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -178.312475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.312475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.312475 (E_RNA) where: Base-Base interactions energy: -117.508 where: short stacking energy: -51.580 Base-Backbone interact. energy: -0.051 local terms energy: -60.753260 where: bonds (distance) C4'-P energy: -11.558 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -12.239 flat angles P-C4'-P energy: -6.587 tors. eta vs tors. theta energy: -15.032 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: 9 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -184.010077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.010077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.010077 (E_RNA) where: Base-Base interactions energy: -125.237 where: short stacking energy: -50.867 Base-Backbone interact. energy: -0.036 local terms energy: -58.737589 where: bonds (distance) C4'-P energy: -9.831 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -10.782 flat angles P-C4'-P energy: -9.914 tors. eta vs tors. theta energy: -14.251 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: 6 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -187.907311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.907311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.907311 (E_RNA) where: Base-Base interactions energy: -122.601 where: short stacking energy: -52.053 Base-Backbone interact. energy: -0.001 local terms energy: -65.305111 where: bonds (distance) C4'-P energy: -12.289 bonds (distance) P-C4' energy: -13.408 flat angles C4'-P-C4' energy: -11.303 flat angles P-C4'-P energy: -11.014 tors. eta vs tors. theta energy: -17.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -179.578489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.578489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.578489 (E_RNA) where: Base-Base interactions energy: -118.043 where: short stacking energy: -48.620 Base-Backbone interact. energy: -0.096 local terms energy: -61.439982 where: bonds (distance) C4'-P energy: -13.400 bonds (distance) P-C4' energy: -11.538 flat angles C4'-P-C4' energy: -13.958 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -13.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -176.749733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.749733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.749733 (E_RNA) where: Base-Base interactions energy: -112.304 where: short stacking energy: -45.600 Base-Backbone interact. energy: -0.001 local terms energy: -64.444688 where: bonds (distance) C4'-P energy: -13.015 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -11.818 flat angles P-C4'-P energy: -11.145 tors. eta vs tors. theta energy: -15.143 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: 409 Temperature: 1.150000 Total energy: -176.567371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.567371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.567371 (E_RNA) where: Base-Base interactions energy: -121.295 where: short stacking energy: -48.162 Base-Backbone interact. energy: -0.010 local terms energy: -55.262503 where: bonds (distance) C4'-P energy: -14.903 bonds (distance) P-C4' energy: -11.834 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -10.673 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: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -170.189334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.189334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.189334 (E_RNA) where: Base-Base interactions energy: -117.870 where: short stacking energy: -45.027 Base-Backbone interact. energy: -0.102 local terms energy: -52.217397 where: bonds (distance) C4'-P energy: -11.934 bonds (distance) P-C4' energy: -11.619 flat angles C4'-P-C4' energy: -11.876 flat angles P-C4'-P energy: -8.239 tors. eta vs tors. theta energy: -8.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -167.288411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.288411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.288411 (E_RNA) where: Base-Base interactions energy: -109.461 where: short stacking energy: -43.815 Base-Backbone interact. energy: -0.536 local terms energy: -57.291550 where: bonds (distance) C4'-P energy: -11.950 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -11.236 flat angles P-C4'-P energy: -8.374 tors. eta vs tors. theta energy: -12.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -70.354223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.354223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.354223 (E_RNA) where: Base-Base interactions energy: -23.317 where: short stacking energy: -20.339 Base-Backbone interact. energy: -0.078 local terms energy: -46.958895 where: bonds (distance) C4'-P energy: -13.134 bonds (distance) P-C4' energy: -11.041 flat angles C4'-P-C4' energy: -11.496 flat angles P-C4'-P energy: -9.182 tors. eta vs tors. theta energy: -2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -56.696502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.696502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.696502 (E_RNA) where: Base-Base interactions energy: -17.365 where: short stacking energy: -17.365 Base-Backbone interact. energy: -0.378 local terms energy: -38.953747 where: bonds (distance) C4'-P energy: -11.400 bonds (distance) P-C4' energy: -11.908 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -6.517 tors. eta vs tors. theta energy: -3.181 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: 9 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -191.858612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.858612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.858612 (E_RNA) where: Base-Base interactions energy: -130.703 where: short stacking energy: -50.436 Base-Backbone interact. energy: -0.523 local terms energy: -60.631957 where: bonds (distance) C4'-P energy: -11.666 bonds (distance) P-C4' energy: -13.006 flat angles C4'-P-C4' energy: -12.690 flat angles P-C4'-P energy: -7.193 tors. eta vs tors. theta energy: -16.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -180.380899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.380899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.380899 (E_RNA) where: Base-Base interactions energy: -127.398 where: short stacking energy: -52.176 Base-Backbone interact. energy: -0.329 local terms energy: -52.653469 where: bonds (distance) C4'-P energy: -7.139 bonds (distance) P-C4' energy: -10.493 flat angles C4'-P-C4' energy: -12.694 flat angles P-C4'-P energy: -7.113 tors. eta vs tors. theta energy: -15.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -176.933922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.933922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.933922 (E_RNA) where: Base-Base interactions energy: -114.190 where: short stacking energy: -51.726 Base-Backbone interact. energy: -0.015 local terms energy: -62.729194 where: bonds (distance) C4'-P energy: -11.591 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -10.715 flat angles P-C4'-P energy: -9.770 tors. eta vs tors. theta energy: -17.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -182.912338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.912338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.912338 (E_RNA) where: Base-Base interactions energy: -121.312 where: short stacking energy: -42.353 Base-Backbone interact. energy: -1.665 local terms energy: -59.935350 where: bonds (distance) C4'-P energy: -9.281 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -11.410 flat angles P-C4'-P energy: -10.025 tors. eta vs tors. theta energy: -14.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -176.226451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.226451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.226451 (E_RNA) where: Base-Base interactions energy: -121.577 where: short stacking energy: -46.777 Base-Backbone interact. energy: -0.068 local terms energy: -54.581745 where: bonds (distance) C4'-P energy: -10.995 bonds (distance) P-C4' energy: -11.227 flat angles C4'-P-C4' energy: -12.302 flat angles P-C4'-P energy: -7.087 tors. eta vs tors. theta energy: -12.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -172.840647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.840647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.840647 (E_RNA) where: Base-Base interactions energy: -123.642 where: short stacking energy: -45.168 Base-Backbone interact. energy: 2.157 local terms energy: -51.355406 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -12.698 flat angles C4'-P-C4' energy: -9.993 flat angles P-C4'-P energy: -5.524 tors. eta vs tors. theta energy: -11.223 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: 7, replica: 3 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -168.678206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.678206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.678206 (E_RNA) where: Base-Base interactions energy: -119.572 where: short stacking energy: -46.553 Base-Backbone interact. energy: -0.126 local terms energy: -48.980374 where: bonds (distance) C4'-P energy: -4.702 bonds (distance) P-C4' energy: -9.228 flat angles C4'-P-C4' energy: -10.048 flat angles P-C4'-P energy: -8.962 tors. eta vs tors. theta energy: -16.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -168.725328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.725328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.725328 (E_RNA) where: Base-Base interactions energy: -114.583 where: short stacking energy: -46.015 Base-Backbone interact. energy: -0.358 local terms energy: -53.784206 where: bonds (distance) C4'-P energy: -9.931 bonds (distance) P-C4' energy: -11.660 flat angles C4'-P-C4' energy: -10.933 flat angles P-C4'-P energy: -7.027 tors. eta vs tors. theta energy: -14.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -68.885929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.885929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.885929 (E_RNA) where: Base-Base interactions energy: -32.143 where: short stacking energy: -20.474 Base-Backbone interact. energy: -0.245 local terms energy: -36.498367 where: bonds (distance) C4'-P energy: -8.840 bonds (distance) P-C4' energy: -10.183 flat angles C4'-P-C4' energy: -8.537 flat angles P-C4'-P energy: -10.234 tors. eta vs tors. theta energy: 1.296 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: 4 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -58.306511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.306511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.306511 (E_RNA) where: Base-Base interactions energy: -17.160 where: short stacking energy: -11.155 Base-Backbone interact. energy: -0.140 local terms energy: -41.006747 where: bonds (distance) C4'-P energy: -10.684 bonds (distance) P-C4' energy: -14.220 flat angles C4'-P-C4' energy: -9.223 flat angles P-C4'-P energy: -9.609 tors. eta vs tors. theta energy: 2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -187.160177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.160177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.160177 (E_RNA) where: Base-Base interactions energy: -123.220 where: short stacking energy: -47.732 Base-Backbone interact. energy: -0.744 local terms energy: -63.195648 where: bonds (distance) C4'-P energy: -11.111 bonds (distance) P-C4' energy: -10.964 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -9.509 tors. eta vs tors. theta energy: -17.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -179.270661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.270661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.270661 (E_RNA) where: Base-Base interactions energy: -130.613 where: short stacking energy: -53.668 Base-Backbone interact. energy: -0.290 local terms energy: -48.367642 where: bonds (distance) C4'-P energy: -10.655 bonds (distance) P-C4' energy: -11.186 flat angles C4'-P-C4' energy: -12.837 flat angles P-C4'-P energy: -1.199 tors. eta vs tors. theta energy: -12.491 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: 7 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -184.019505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.019505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.019505 (E_RNA) where: Base-Base interactions energy: -125.693 where: short stacking energy: -56.448 Base-Backbone interact. energy: -0.041 local terms energy: -58.285924 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -11.862 flat angles C4'-P-C4' energy: -12.257 flat angles P-C4'-P energy: -2.795 tors. eta vs tors. theta energy: -17.998 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: 411 Temperature: 1.050000 Total energy: -185.284008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.284008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.284008 (E_RNA) where: Base-Base interactions energy: -135.805 where: short stacking energy: -58.550 Base-Backbone interact. energy: -0.014 local terms energy: -49.464952 where: bonds (distance) C4'-P energy: -7.016 bonds (distance) P-C4' energy: -9.892 flat angles C4'-P-C4' energy: -14.270 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -13.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -176.701495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.701495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.701495 (E_RNA) where: Base-Base interactions energy: -118.000 where: short stacking energy: -47.710 Base-Backbone interact. energy: -0.606 local terms energy: -58.094928 where: bonds (distance) C4'-P energy: -12.796 bonds (distance) P-C4' energy: -13.305 flat angles C4'-P-C4' energy: -13.197 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -12.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -182.777796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.777796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.777796 (E_RNA) where: Base-Base interactions energy: -126.088 where: short stacking energy: -49.148 Base-Backbone interact. energy: -0.093 local terms energy: -56.596960 where: bonds (distance) C4'-P energy: -11.135 bonds (distance) P-C4' energy: -10.103 flat angles C4'-P-C4' energy: -14.202 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -14.886 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: 411 Temperature: 1.200000 Total energy: -169.850997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.850997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.850997 (E_RNA) where: Base-Base interactions energy: -118.738 where: short stacking energy: -47.672 Base-Backbone interact. energy: -0.150 local terms energy: -50.963673 where: bonds (distance) C4'-P energy: -9.019 bonds (distance) P-C4' energy: -13.684 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: -17.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -164.851482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.851482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.851482 (E_RNA) where: Base-Base interactions energy: -110.313 where: short stacking energy: -44.926 Base-Backbone interact. energy: 0.213 local terms energy: -54.750626 where: bonds (distance) C4'-P energy: -10.800 bonds (distance) P-C4' energy: -15.137 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -8.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -70.627642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.627642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.627642 (E_RNA) where: Base-Base interactions energy: -29.579 where: short stacking energy: -19.342 Base-Backbone interact. energy: 0.164 local terms energy: -41.212398 where: bonds (distance) C4'-P energy: -9.786 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -12.093 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -61.943400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.943400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.943400 (E_RNA) where: Base-Base interactions energy: -18.456 where: short stacking energy: -17.233 Base-Backbone interact. energy: -0.986 local terms energy: -42.501349 where: bonds (distance) C4'-P energy: -12.919 bonds (distance) P-C4' energy: -11.669 flat angles C4'-P-C4' energy: -8.602 flat angles P-C4'-P energy: -8.377 tors. eta vs tors. theta energy: -0.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -193.655808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.655808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.655808 (E_RNA) where: Base-Base interactions energy: -127.625 where: short stacking energy: -56.991 Base-Backbone interact. energy: -0.064 local terms energy: -65.966137 where: bonds (distance) C4'-P energy: -11.951 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -9.806 tors. eta vs tors. theta energy: -19.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -179.824863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.824863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.824863 (E_RNA) where: Base-Base interactions energy: -130.217 where: short stacking energy: -49.151 Base-Backbone interact. energy: -0.139 local terms energy: -49.468769 where: bonds (distance) C4'-P energy: -6.776 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -8.496 flat angles P-C4'-P energy: -10.115 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: 3, replica: 6 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -188.124728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.124728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.124728 (E_RNA) where: Base-Base interactions energy: -129.993 where: short stacking energy: -46.270 Base-Backbone interact. energy: -0.463 local terms energy: -57.669048 where: bonds (distance) C4'-P energy: -10.758 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -13.562 flat angles P-C4'-P energy: -7.192 tors. eta vs tors. theta energy: -13.044 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: 7 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -175.957946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.957946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.957946 (E_RNA) where: Base-Base interactions energy: -118.883 where: short stacking energy: -49.570 Base-Backbone interact. energy: -0.559 local terms energy: -56.516289 where: bonds (distance) C4'-P energy: -7.980 bonds (distance) P-C4' energy: -11.715 flat angles C4'-P-C4' energy: -11.096 flat angles P-C4'-P energy: -12.144 tors. eta vs tors. theta energy: -13.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -179.004938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.004938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.004938 (E_RNA) where: Base-Base interactions energy: -116.310 where: short stacking energy: -48.128 Base-Backbone interact. energy: 0.860 local terms energy: -63.555002 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -14.872 flat angles C4'-P-C4' energy: -13.719 flat angles P-C4'-P energy: -7.644 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: 6, replica: 8 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -171.321725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.321725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.321725 (E_RNA) where: Base-Base interactions energy: -119.060 where: short stacking energy: -49.226 Base-Backbone interact. energy: -0.002 local terms energy: -52.259153 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -12.588 flat angles C4'-P-C4' energy: -10.253 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -16.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -176.759449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.759449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.759449 (E_RNA) where: Base-Base interactions energy: -124.761 where: short stacking energy: -44.155 Base-Backbone interact. energy: -0.070 local terms energy: -51.928245 where: bonds (distance) C4'-P energy: -11.354 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -14.211 flat angles P-C4'-P energy: -6.793 tors. eta vs tors. theta energy: -11.163 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: 2 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -169.605419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.605419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.605419 (E_RNA) where: Base-Base interactions energy: -117.081 where: short stacking energy: -49.584 Base-Backbone interact. energy: -0.032 local terms energy: -52.491875 where: bonds (distance) C4'-P energy: -10.606 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -11.334 flat angles P-C4'-P energy: -5.942 tors. eta vs tors. theta energy: -11.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -72.642455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.642455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.642455 (E_RNA) where: Base-Base interactions energy: -31.178 where: short stacking energy: -23.482 Base-Backbone interact. energy: -0.107 local terms energy: -41.357265 where: bonds (distance) C4'-P energy: -11.677 bonds (distance) P-C4' energy: -9.554 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -9.930 tors. eta vs tors. theta energy: -3.825 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: 10 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -62.898657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.898657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.898657 (E_RNA) where: Base-Base interactions energy: -19.845 where: short stacking energy: -15.920 Base-Backbone interact. energy: 0.557 local terms energy: -43.611078 where: bonds (distance) C4'-P energy: -12.378 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -11.084 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: 0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -188.424113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.424113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.424113 (E_RNA) where: Base-Base interactions energy: -130.222 where: short stacking energy: -55.241 Base-Backbone interact. energy: -0.257 local terms energy: -57.944852 where: bonds (distance) C4'-P energy: -11.943 bonds (distance) P-C4' energy: -12.623 flat angles C4'-P-C4' energy: -10.149 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -16.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -191.875836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.875836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.875836 (E_RNA) where: Base-Base interactions energy: -134.114 where: short stacking energy: -48.749 Base-Backbone interact. energy: -0.184 local terms energy: -57.577853 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -12.110 flat angles C4'-P-C4' energy: -13.889 flat angles P-C4'-P energy: -8.716 tors. eta vs tors. theta energy: -12.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -174.603505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.603505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.603505 (E_RNA) where: Base-Base interactions energy: -128.140 where: short stacking energy: -49.091 Base-Backbone interact. energy: -0.623 local terms energy: -45.840893 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -12.239 flat angles C4'-P-C4' energy: -10.857 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -11.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -181.216635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.216635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.216635 (E_RNA) where: Base-Base interactions energy: -125.879 where: short stacking energy: -50.645 Base-Backbone interact. energy: -0.130 local terms energy: -55.207629 where: bonds (distance) C4'-P energy: -13.019 bonds (distance) P-C4' energy: -9.629 flat angles C4'-P-C4' energy: -14.374 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -15.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -176.469881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.469881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.469881 (E_RNA) where: Base-Base interactions energy: -121.014 where: short stacking energy: -42.941 Base-Backbone interact. energy: -0.107 local terms energy: -55.348807 where: bonds (distance) C4'-P energy: -10.555 bonds (distance) P-C4' energy: -12.538 flat angles C4'-P-C4' energy: -12.438 flat angles P-C4'-P energy: -8.475 tors. eta vs tors. theta energy: -11.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -167.500381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.500381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.500381 (E_RNA) where: Base-Base interactions energy: -119.685 where: short stacking energy: -49.390 Base-Backbone interact. energy: -0.227 local terms energy: -47.588239 where: bonds (distance) C4'-P energy: -10.461 bonds (distance) P-C4' energy: -10.863 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -8.072 tors. eta vs tors. theta energy: -12.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -172.033619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.033619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.033619 (E_RNA) where: Base-Base interactions energy: -117.780 where: short stacking energy: -48.136 Base-Backbone interact. energy: -0.074 local terms energy: -54.179344 where: bonds (distance) C4'-P energy: -10.096 bonds (distance) P-C4' energy: -10.976 flat angles C4'-P-C4' energy: -12.255 flat angles P-C4'-P energy: -5.861 tors. eta vs tors. theta energy: -14.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -162.630864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.630864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.630864 (E_RNA) where: Base-Base interactions energy: -119.291 where: short stacking energy: -47.225 Base-Backbone interact. energy: -0.019 local terms energy: -43.321059 where: bonds (distance) C4'-P energy: -8.010 bonds (distance) P-C4' energy: -10.122 flat angles C4'-P-C4' energy: -12.386 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -9.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -66.865160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.865160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.865160 (E_RNA) where: Base-Base interactions energy: -32.358 where: short stacking energy: -27.294 Base-Backbone interact. energy: -0.172 local terms energy: -34.335243 where: bonds (distance) C4'-P energy: -6.971 bonds (distance) P-C4' energy: -9.699 flat angles C4'-P-C4' energy: -11.280 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -63.028396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.028396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.028396 (E_RNA) where: Base-Base interactions energy: -27.629 where: short stacking energy: -27.629 Base-Backbone interact. energy: 1.317 local terms energy: -36.715510 where: bonds (distance) C4'-P energy: -10.643 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -1.972 tors. eta vs tors. theta energy: -2.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -185.379521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.379521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.379521 (E_RNA) where: Base-Base interactions energy: -121.367 where: short stacking energy: -49.468 Base-Backbone interact. energy: -0.095 local terms energy: -63.917992 where: bonds (distance) C4'-P energy: -12.526 bonds (distance) P-C4' energy: -13.011 flat angles C4'-P-C4' energy: -12.942 flat angles P-C4'-P energy: -10.161 tors. eta vs tors. theta energy: -15.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -187.812077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.812077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.812077 (E_RNA) where: Base-Base interactions energy: -129.680 where: short stacking energy: -56.853 Base-Backbone interact. energy: -0.730 local terms energy: -57.401895 where: bonds (distance) C4'-P energy: -11.765 bonds (distance) P-C4' energy: -10.337 flat angles C4'-P-C4' energy: -12.863 flat angles P-C4'-P energy: -9.311 tors. eta vs tors. theta energy: -13.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -180.945532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.945532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.945532 (E_RNA) where: Base-Base interactions energy: -124.400 where: short stacking energy: -52.983 Base-Backbone interact. energy: -0.139 local terms energy: -56.407139 where: bonds (distance) C4'-P energy: -9.612 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -12.011 flat angles P-C4'-P energy: -5.367 tors. eta vs tors. theta energy: -17.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -175.026929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.026929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.026929 (E_RNA) where: Base-Base interactions energy: -124.200 where: short stacking energy: -42.532 Base-Backbone interact. energy: -0.794 local terms energy: -50.032967 where: bonds (distance) C4'-P energy: -12.871 bonds (distance) P-C4' energy: -7.382 flat angles C4'-P-C4' energy: -11.677 flat angles P-C4'-P energy: -7.378 tors. eta vs tors. theta energy: -10.725 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: 1 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -178.085281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.085281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.085281 (E_RNA) where: Base-Base interactions energy: -118.585 where: short stacking energy: -47.084 Base-Backbone interact. energy: -0.005 local terms energy: -59.496134 where: bonds (distance) C4'-P energy: -11.765 bonds (distance) P-C4' energy: -14.343 flat angles C4'-P-C4' energy: -12.847 flat angles P-C4'-P energy: -7.023 tors. eta vs tors. theta energy: -13.518 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: 6, replica: 7 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -176.661961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.661961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.661961 (E_RNA) where: Base-Base interactions energy: -120.273 where: short stacking energy: -47.944 Base-Backbone interact. energy: -0.063 local terms energy: -56.326098 where: bonds (distance) C4'-P energy: -10.224 bonds (distance) P-C4' energy: -11.986 flat angles C4'-P-C4' energy: -11.394 flat angles P-C4'-P energy: -8.864 tors. eta vs tors. theta energy: -13.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -175.388187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.388187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.388187 (E_RNA) where: Base-Base interactions energy: -122.025 where: short stacking energy: -50.383 Base-Backbone interact. energy: -0.024 local terms energy: -53.339051 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -12.069 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -12.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -165.281194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.281194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.281194 (E_RNA) where: Base-Base interactions energy: -111.359 where: short stacking energy: -40.401 Base-Backbone interact. energy: -1.955 local terms energy: -51.967020 where: bonds (distance) C4'-P energy: -13.922 bonds (distance) P-C4' energy: -10.116 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -8.000 tors. eta vs tors. theta energy: -12.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -69.828376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.828376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.828376 (E_RNA) where: Base-Base interactions energy: -36.459 where: short stacking energy: -9.514 Base-Backbone interact. energy: -0.676 local terms energy: -32.693543 where: bonds (distance) C4'-P energy: -11.760 bonds (distance) P-C4' energy: -9.992 flat angles C4'-P-C4' energy: -9.156 flat angles P-C4'-P energy: -2.374 tors. eta vs tors. theta energy: 0.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -68.524645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.524645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.524645 (E_RNA) where: Base-Base interactions energy: -36.704 where: short stacking energy: -18.583 Base-Backbone interact. energy: 0.445 local terms energy: -32.265310 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -14.819 flat angles C4'-P-C4' energy: -10.430 flat angles P-C4'-P energy: 1.412 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: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -188.441023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.441023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.441023 (E_RNA) where: Base-Base interactions energy: -127.014 where: short stacking energy: -54.969 Base-Backbone interact. energy: -0.218 local terms energy: -61.209232 where: bonds (distance) C4'-P energy: -13.408 bonds (distance) P-C4' energy: -12.656 flat angles C4'-P-C4' energy: -12.430 flat angles P-C4'-P energy: -8.125 tors. eta vs tors. theta energy: -14.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -188.257546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.257546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.257546 (E_RNA) where: Base-Base interactions energy: -125.266 where: short stacking energy: -51.288 Base-Backbone interact. energy: -1.336 local terms energy: -61.655545 where: bonds (distance) C4'-P energy: -14.518 bonds (distance) P-C4' energy: -12.393 flat angles C4'-P-C4' energy: -11.580 flat angles P-C4'-P energy: -9.684 tors. eta vs tors. theta energy: -13.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -186.366262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.366262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.366262 (E_RNA) where: Base-Base interactions energy: -125.027 where: short stacking energy: -50.386 Base-Backbone interact. energy: -0.162 local terms energy: -61.177559 where: bonds (distance) C4'-P energy: -11.028 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -11.739 flat angles P-C4'-P energy: -6.315 tors. eta vs tors. theta energy: -17.912 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: 415 Temperature: 1.050000 Total energy: -179.389796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.389796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.389796 (E_RNA) where: Base-Base interactions energy: -123.376 where: short stacking energy: -52.279 Base-Backbone interact. energy: -0.211 local terms energy: -55.802264 where: bonds (distance) C4'-P energy: -6.711 bonds (distance) P-C4' energy: -12.651 flat angles C4'-P-C4' energy: -11.754 flat angles P-C4'-P energy: -9.912 tors. eta vs tors. theta energy: -14.774 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: 5 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -161.193089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.193089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.193089 (E_RNA) where: Base-Base interactions energy: -110.536 where: short stacking energy: -41.016 Base-Backbone interact. energy: 0.422 local terms energy: -51.078808 where: bonds (distance) C4'-P energy: -10.058 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -10.198 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -9.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -181.032713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.032713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.032713 (E_RNA) where: Base-Base interactions energy: -120.531 where: short stacking energy: -45.856 Base-Backbone interact. energy: -0.292 local terms energy: -60.210051 where: bonds (distance) C4'-P energy: -13.639 bonds (distance) P-C4' energy: -9.589 flat angles C4'-P-C4' energy: -12.189 flat angles P-C4'-P energy: -9.279 tors. eta vs tors. theta energy: -15.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -160.589953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.589953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.589953 (E_RNA) where: Base-Base interactions energy: -111.133 where: short stacking energy: -47.045 Base-Backbone interact. energy: 0.157 local terms energy: -49.614230 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -6.359 tors. eta vs tors. theta energy: -13.256 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: 8 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -139.621606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.621606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.621606 (E_RNA) where: Base-Base interactions energy: -84.724 where: short stacking energy: -37.781 Base-Backbone interact. energy: -0.825 local terms energy: -54.072833 where: bonds (distance) C4'-P energy: -10.659 bonds (distance) P-C4' energy: -11.753 flat angles C4'-P-C4' energy: -12.302 flat angles P-C4'-P energy: -9.553 tors. eta vs tors. theta energy: -9.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -62.822968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.822968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.822968 (E_RNA) where: Base-Base interactions energy: -23.387 where: short stacking energy: -23.387 Base-Backbone interact. energy: -0.089 local terms energy: -39.347088 where: bonds (distance) C4'-P energy: -12.348 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -11.539 flat angles P-C4'-P energy: -1.876 tors. eta vs tors. theta energy: -1.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -70.768263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.768263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.768263 (E_RNA) where: Base-Base interactions energy: -25.841 where: short stacking energy: -25.841 Base-Backbone interact. energy: -0.050 local terms energy: -44.877258 where: bonds (distance) C4'-P energy: -4.193 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -12.766 flat angles P-C4'-P energy: -9.519 tors. eta vs tors. theta energy: -3.539 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: 3 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -187.736153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.736153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.736153 (E_RNA) where: Base-Base interactions energy: -125.526 where: short stacking energy: -51.726 Base-Backbone interact. energy: 1.477 local terms energy: -63.687524 where: bonds (distance) C4'-P energy: -14.224 bonds (distance) P-C4' energy: -13.810 flat angles C4'-P-C4' energy: -11.594 flat angles P-C4'-P energy: -8.786 tors. eta vs tors. theta energy: -15.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -188.998902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.998902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.998902 (E_RNA) where: Base-Base interactions energy: -132.228 where: short stacking energy: -54.130 Base-Backbone interact. energy: -0.074 local terms energy: -56.696874 where: bonds (distance) C4'-P energy: -12.282 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -12.414 flat angles P-C4'-P energy: -7.766 tors. eta vs tors. theta energy: -11.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -188.970779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.970779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.970779 (E_RNA) where: Base-Base interactions energy: -125.072 where: short stacking energy: -50.579 Base-Backbone interact. energy: -0.589 local terms energy: -63.309325 where: bonds (distance) C4'-P energy: -11.896 bonds (distance) P-C4' energy: -13.910 flat angles C4'-P-C4' energy: -12.606 flat angles P-C4'-P energy: -9.296 tors. eta vs tors. theta energy: -15.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -182.493939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.493939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.493939 (E_RNA) where: Base-Base interactions energy: -121.090 where: short stacking energy: -45.157 Base-Backbone interact. energy: -0.366 local terms energy: -61.038577 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -12.973 flat angles P-C4'-P energy: -8.211 tors. eta vs tors. theta energy: -13.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -175.354834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.354834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.354834 (E_RNA) where: Base-Base interactions energy: -114.731 where: short stacking energy: -50.326 Base-Backbone interact. energy: -0.207 local terms energy: -60.416720 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -10.691 flat angles C4'-P-C4' energy: -12.418 flat angles P-C4'-P energy: -10.271 tors. eta vs tors. theta energy: -14.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -164.752287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.752287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.752287 (E_RNA) where: Base-Base interactions energy: -127.332 where: short stacking energy: -47.203 Base-Backbone interact. energy: -0.002 local terms energy: -37.418861 where: bonds (distance) C4'-P energy: -11.172 bonds (distance) P-C4' energy: -5.334 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -8.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -169.842624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.842624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.842624 (E_RNA) where: Base-Base interactions energy: -113.080 where: short stacking energy: -43.415 Base-Backbone interact. energy: -0.166 local terms energy: -56.596784 where: bonds (distance) C4'-P energy: -11.490 bonds (distance) P-C4' energy: -10.536 flat angles C4'-P-C4' energy: -11.782 flat angles P-C4'-P energy: -8.600 tors. eta vs tors. theta energy: -14.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -145.173001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.173001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.173001 (E_RNA) where: Base-Base interactions energy: -101.587 where: short stacking energy: -33.025 Base-Backbone interact. energy: -0.018 local terms energy: -43.568672 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -11.256 flat angles C4'-P-C4' energy: -12.520 flat angles P-C4'-P energy: -7.847 tors. eta vs tors. theta energy: -5.202 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: 10 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -148.281545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.281545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.281545 (E_RNA) where: Base-Base interactions energy: -106.158 where: short stacking energy: -42.237 Base-Backbone interact. energy: 1.614 local terms energy: -43.737290 where: bonds (distance) C4'-P energy: -8.792 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -7.611 tors. eta vs tors. theta energy: -12.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -64.453369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.453369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.453369 (E_RNA) where: Base-Base interactions energy: -22.762 where: short stacking energy: -21.066 Base-Backbone interact. energy: -0.019 local terms energy: -41.672175 where: bonds (distance) C4'-P energy: -11.554 bonds (distance) P-C4' energy: -12.100 flat angles C4'-P-C4' energy: -9.971 flat angles P-C4'-P energy: -5.912 tors. eta vs tors. theta energy: -2.135 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: 3 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -185.587058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.587058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.587058 (E_RNA) where: Base-Base interactions energy: -125.433 where: short stacking energy: -50.795 Base-Backbone interact. energy: -0.003 local terms energy: -60.151147 where: bonds (distance) C4'-P energy: -13.400 bonds (distance) P-C4' energy: -13.809 flat angles C4'-P-C4' energy: -13.626 flat angles P-C4'-P energy: -6.460 tors. eta vs tors. theta energy: -12.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -189.131973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.131973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.131973 (E_RNA) where: Base-Base interactions energy: -126.799 where: short stacking energy: -48.492 Base-Backbone interact. energy: -0.407 local terms energy: -61.925969 where: bonds (distance) C4'-P energy: -12.539 bonds (distance) P-C4' energy: -13.148 flat angles C4'-P-C4' energy: -12.689 flat angles P-C4'-P energy: -6.787 tors. eta vs tors. theta energy: -16.763 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: 1 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -182.272562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.272562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.272562 (E_RNA) where: Base-Base interactions energy: -124.263 where: short stacking energy: -51.083 Base-Backbone interact. energy: -0.016 local terms energy: -57.993714 where: bonds (distance) C4'-P energy: -10.502 bonds (distance) P-C4' energy: -11.874 flat angles C4'-P-C4' energy: -10.181 flat angles P-C4'-P energy: -12.119 tors. eta vs tors. theta energy: -13.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -178.451483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.451483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.451483 (E_RNA) where: Base-Base interactions energy: -123.598 where: short stacking energy: -54.894 Base-Backbone interact. energy: 0.227 local terms energy: -55.080646 where: bonds (distance) C4'-P energy: -9.292 bonds (distance) P-C4' energy: -9.522 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -14.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -187.026695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.026695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.026695 (E_RNA) where: Base-Base interactions energy: -121.226 where: short stacking energy: -51.116 Base-Backbone interact. energy: 0.164 local terms energy: -65.964709 where: bonds (distance) C4'-P energy: -13.023 bonds (distance) P-C4' energy: -15.366 flat angles C4'-P-C4' energy: -13.523 flat angles P-C4'-P energy: -9.991 tors. eta vs tors. theta energy: -14.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -171.746534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.746534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.746534 (E_RNA) where: Base-Base interactions energy: -112.001 where: short stacking energy: -48.132 Base-Backbone interact. energy: -0.010 local terms energy: -59.735823 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -15.312 flat angles C4'-P-C4' energy: -10.232 flat angles P-C4'-P energy: -8.153 tors. eta vs tors. theta energy: -13.235 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: 5 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -172.761813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.761813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.761813 (E_RNA) where: Base-Base interactions energy: -120.803 where: short stacking energy: -41.584 Base-Backbone interact. energy: -0.003 local terms energy: -51.955388 where: bonds (distance) C4'-P energy: -13.975 bonds (distance) P-C4' energy: -11.222 flat angles C4'-P-C4' energy: -10.597 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -10.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -148.104521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.104521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.104521 (E_RNA) where: Base-Base interactions energy: -103.855 where: short stacking energy: -41.522 Base-Backbone interact. energy: -0.081 local terms energy: -44.168806 where: bonds (distance) C4'-P energy: -9.980 bonds (distance) P-C4' energy: -9.589 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -9.736 tors. eta vs tors. theta energy: -7.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -147.242285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.242285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.242285 (E_RNA) where: Base-Base interactions energy: -95.216 where: short stacking energy: -37.247 Base-Backbone interact. energy: 1.131 local terms energy: -53.157551 where: bonds (distance) C4'-P energy: -11.818 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -8.297 tors. eta vs tors. theta energy: -7.455 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: 4 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -61.166960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.166960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.166960 (E_RNA) where: Base-Base interactions energy: -28.341 where: short stacking energy: -22.851 Base-Backbone interact. energy: -0.103 local terms energy: -32.722416 where: bonds (distance) C4'-P energy: -12.853 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -3.432 flat angles P-C4'-P energy: -5.932 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: 6 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -187.243786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.243786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.243786 (E_RNA) where: Base-Base interactions energy: -123.087 where: short stacking energy: -49.688 Base-Backbone interact. energy: -0.011 local terms energy: -64.145609 where: bonds (distance) C4'-P energy: -10.946 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -12.490 flat angles P-C4'-P energy: -9.557 tors. eta vs tors. theta energy: -17.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -186.727598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.727598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.727598 (E_RNA) where: Base-Base interactions energy: -129.371 where: short stacking energy: -50.387 Base-Backbone interact. energy: -0.007 local terms energy: -57.348809 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -11.570 flat angles C4'-P-C4' energy: -11.630 flat angles P-C4'-P energy: -6.024 tors. eta vs tors. theta energy: -15.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -181.200473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.200473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.200473 (E_RNA) where: Base-Base interactions energy: -124.993 where: short stacking energy: -49.663 Base-Backbone interact. energy: -0.081 local terms energy: -56.125644 where: bonds (distance) C4'-P energy: -12.771 bonds (distance) P-C4' energy: -11.525 flat angles C4'-P-C4' energy: -10.467 flat angles P-C4'-P energy: -5.544 tors. eta vs tors. theta energy: -15.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -175.767992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.767992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.767992 (E_RNA) where: Base-Base interactions energy: -118.547 where: short stacking energy: -45.840 Base-Backbone interact. energy: -0.001 local terms energy: -57.220884 where: bonds (distance) C4'-P energy: -11.972 bonds (distance) P-C4' energy: -11.299 flat angles C4'-P-C4' energy: -11.408 flat angles P-C4'-P energy: -7.541 tors. eta vs tors. theta energy: -15.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -181.705970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.705970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.705970 (E_RNA) where: Base-Base interactions energy: -127.063 where: short stacking energy: -55.137 Base-Backbone interact. energy: -0.359 local terms energy: -54.284030 where: bonds (distance) C4'-P energy: -10.468 bonds (distance) P-C4' energy: -9.008 flat angles C4'-P-C4' energy: -12.893 flat angles P-C4'-P energy: -6.565 tors. eta vs tors. theta energy: -15.351 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: 7 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -168.397986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.397986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.397986 (E_RNA) where: Base-Base interactions energy: -115.926 where: short stacking energy: -50.044 Base-Backbone interact. energy: -0.358 local terms energy: -52.113996 where: bonds (distance) C4'-P energy: -11.251 bonds (distance) P-C4' energy: -10.961 flat angles C4'-P-C4' energy: -12.590 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -12.342 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: 10 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -170.966924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.966924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.966924 (E_RNA) where: Base-Base interactions energy: -117.172 where: short stacking energy: -43.760 Base-Backbone interact. energy: -0.007 local terms energy: -53.787608 where: bonds (distance) C4'-P energy: -9.557 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -11.610 flat angles P-C4'-P energy: -6.161 tors. eta vs tors. theta energy: -12.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -168.514710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.514710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.514710 (E_RNA) where: Base-Base interactions energy: -118.043 where: short stacking energy: -46.045 Base-Backbone interact. energy: -0.003 local terms energy: -50.468752 where: bonds (distance) C4'-P energy: -10.505 bonds (distance) P-C4' energy: -14.283 flat angles C4'-P-C4' energy: -11.037 flat angles P-C4'-P energy: -1.668 tors. eta vs tors. theta energy: -12.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -159.444889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.444889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.444889 (E_RNA) where: Base-Base interactions energy: -112.461 where: short stacking energy: -43.723 Base-Backbone interact. energy: -0.098 local terms energy: -46.885247 where: bonds (distance) C4'-P energy: -10.621 bonds (distance) P-C4' energy: -11.623 flat angles C4'-P-C4' energy: -9.385 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -11.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -66.846894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.846894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.846894 (E_RNA) where: Base-Base interactions energy: -25.390 where: short stacking energy: -25.390 Base-Backbone interact. energy: -0.014 local terms energy: -41.442086 where: bonds (distance) C4'-P energy: -11.907 bonds (distance) P-C4' energy: -13.172 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -7.231 tors. eta vs tors. theta energy: -0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -190.142600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.142600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.142600 (E_RNA) where: Base-Base interactions energy: -130.182 where: short stacking energy: -51.301 Base-Backbone interact. energy: -0.824 local terms energy: -59.136488 where: bonds (distance) C4'-P energy: -12.973 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -11.971 flat angles P-C4'-P energy: -7.338 tors. eta vs tors. theta energy: -12.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -182.637237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.637237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.637237 (E_RNA) where: Base-Base interactions energy: -124.627 where: short stacking energy: -50.183 Base-Backbone interact. energy: -0.141 local terms energy: -57.869080 where: bonds (distance) C4'-P energy: -10.970 bonds (distance) P-C4' energy: -10.253 flat angles C4'-P-C4' energy: -12.373 flat angles P-C4'-P energy: -9.814 tors. eta vs tors. theta energy: -14.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -177.784914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.784914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.784914 (E_RNA) where: Base-Base interactions energy: -120.799 where: short stacking energy: -46.701 Base-Backbone interact. energy: -0.012 local terms energy: -56.974445 where: bonds (distance) C4'-P energy: -12.254 bonds (distance) P-C4' energy: -11.395 flat angles C4'-P-C4' energy: -12.380 flat angles P-C4'-P energy: -7.126 tors. eta vs tors. theta energy: -13.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -181.909787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.909787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.909787 (E_RNA) where: Base-Base interactions energy: -120.650 where: short stacking energy: -48.288 Base-Backbone interact. energy: -0.102 local terms energy: -61.158126 where: bonds (distance) C4'-P energy: -11.669 bonds (distance) P-C4' energy: -11.595 flat angles C4'-P-C4' energy: -13.031 flat angles P-C4'-P energy: -6.645 tors. eta vs tors. theta energy: -18.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -173.731964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.731964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.731964 (E_RNA) where: Base-Base interactions energy: -121.380 where: short stacking energy: -49.270 Base-Backbone interact. energy: -0.002 local terms energy: -52.349619 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -9.600 flat angles C4'-P-C4' energy: -13.132 flat angles P-C4'-P energy: -6.604 tors. eta vs tors. theta energy: -13.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -170.622178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.622178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.622178 (E_RNA) where: Base-Base interactions energy: -117.648 where: short stacking energy: -43.848 Base-Backbone interact. energy: -0.001 local terms energy: -52.973301 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -12.256 flat angles C4'-P-C4' energy: -8.844 flat angles P-C4'-P energy: -7.873 tors. eta vs tors. theta energy: -10.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -169.765646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.765646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.765646 (E_RNA) where: Base-Base interactions energy: -121.875 where: short stacking energy: -48.160 Base-Backbone interact. energy: -0.003 local terms energy: -47.887729 where: bonds (distance) C4'-P energy: -11.098 bonds (distance) P-C4' energy: -9.745 flat angles C4'-P-C4' energy: -8.356 flat angles P-C4'-P energy: -6.244 tors. eta vs tors. theta energy: -12.445 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: 8 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -141.165335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.165335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.165335 (E_RNA) where: Base-Base interactions energy: -87.614 where: short stacking energy: -34.574 Base-Backbone interact. energy: -0.113 local terms energy: -53.438402 where: bonds (distance) C4'-P energy: -14.518 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -10.772 flat angles P-C4'-P energy: -4.440 tors. eta vs tors. theta energy: -9.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -163.208502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.208502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.208502 (E_RNA) where: Base-Base interactions energy: -111.092 where: short stacking energy: -43.548 Base-Backbone interact. energy: -0.497 local terms energy: -51.618622 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -7.025 flat angles C4'-P-C4' energy: -13.548 flat angles P-C4'-P energy: -8.091 tors. eta vs tors. theta energy: -11.684 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: 4 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -65.427592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.427592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.427592 (E_RNA) where: Base-Base interactions energy: -27.500 where: short stacking energy: -13.729 Base-Backbone interact. energy: -0.189 local terms energy: -37.738980 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -11.124 flat angles C4'-P-C4' energy: -10.601 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: 2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -189.060045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.060045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.060045 (E_RNA) where: Base-Base interactions energy: -129.817 where: short stacking energy: -58.212 Base-Backbone interact. energy: -0.100 local terms energy: -59.142400 where: bonds (distance) C4'-P energy: -11.922 bonds (distance) P-C4' energy: -12.451 flat angles C4'-P-C4' energy: -9.392 flat angles P-C4'-P energy: -9.675 tors. eta vs tors. theta energy: -15.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -185.539892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.539892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.539892 (E_RNA) where: Base-Base interactions energy: -128.447 where: short stacking energy: -40.498 Base-Backbone interact. energy: -0.276 local terms energy: -56.816798 where: bonds (distance) C4'-P energy: -11.090 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -10.953 flat angles P-C4'-P energy: -9.732 tors. eta vs tors. theta energy: -11.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -184.860826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.860826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.860826 (E_RNA) where: Base-Base interactions energy: -122.974 where: short stacking energy: -52.920 Base-Backbone interact. energy: -0.701 local terms energy: -61.185244 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -10.340 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -14.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -180.237299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.237299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.237299 (E_RNA) where: Base-Base interactions energy: -122.527 where: short stacking energy: -44.891 Base-Backbone interact. energy: -0.088 local terms energy: -57.622372 where: bonds (distance) C4'-P energy: -14.633 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -9.493 flat angles P-C4'-P energy: -6.167 tors. eta vs tors. theta energy: -14.245 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: 10 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -173.662429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.662429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.662429 (E_RNA) where: Base-Base interactions energy: -116.481 where: short stacking energy: -51.229 Base-Backbone interact. energy: -0.009 local terms energy: -57.171853 where: bonds (distance) C4'-P energy: -10.729 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -13.424 flat angles P-C4'-P energy: -7.462 tors. eta vs tors. theta energy: -12.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -175.493906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.493906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.493906 (E_RNA) where: Base-Base interactions energy: -123.199 where: short stacking energy: -42.965 Base-Backbone interact. energy: -0.884 local terms energy: -51.411008 where: bonds (distance) C4'-P energy: -7.620 bonds (distance) P-C4' energy: -11.778 flat angles C4'-P-C4' energy: -13.098 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -13.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -176.117507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.117507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.117507 (E_RNA) where: Base-Base interactions energy: -118.914 where: short stacking energy: -47.436 Base-Backbone interact. energy: -0.104 local terms energy: -57.099584 where: bonds (distance) C4'-P energy: -9.439 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -12.790 flat angles P-C4'-P energy: -9.045 tors. eta vs tors. theta energy: -12.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -157.587058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.587058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.587058 (E_RNA) where: Base-Base interactions energy: -104.229 where: short stacking energy: -41.150 Base-Backbone interact. energy: 0.079 local terms energy: -53.436948 where: bonds (distance) C4'-P energy: -11.624 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -12.950 flat angles P-C4'-P energy: -7.393 tors. eta vs tors. theta energy: -8.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -76.714008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.714008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.714008 (E_RNA) where: Base-Base interactions energy: -32.762 where: short stacking energy: -15.922 Base-Backbone interact. energy: 0.574 local terms energy: -44.525848 where: bonds (distance) C4'-P energy: -8.134 bonds (distance) P-C4' energy: -6.481 flat angles C4'-P-C4' energy: -14.997 flat angles P-C4'-P energy: -8.839 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: 10, replica: 5 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -147.820301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.820301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.820301 (E_RNA) where: Base-Base interactions energy: -99.031 where: short stacking energy: -38.502 Base-Backbone interact. energy: -0.000 local terms energy: -48.789155 where: bonds (distance) C4'-P energy: -13.400 bonds (distance) P-C4' energy: -11.270 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -8.320 tors. eta vs tors. theta energy: -9.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -186.984471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.984471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.984471 (E_RNA) where: Base-Base interactions energy: -127.013 where: short stacking energy: -52.691 Base-Backbone interact. energy: 0.359 local terms energy: -60.330241 where: bonds (distance) C4'-P energy: -9.864 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -14.473 flat angles P-C4'-P energy: -7.849 tors. eta vs tors. theta energy: -14.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -190.740104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.740104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.740104 (E_RNA) where: Base-Base interactions energy: -131.120 where: short stacking energy: -56.723 Base-Backbone interact. energy: -0.001 local terms energy: -59.619511 where: bonds (distance) C4'-P energy: -9.430 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -13.521 flat angles P-C4'-P energy: -7.472 tors. eta vs tors. theta energy: -15.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -187.574660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.574660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.574660 (E_RNA) where: Base-Base interactions energy: -131.443 where: short stacking energy: -47.935 Base-Backbone interact. energy: -0.112 local terms energy: -56.019053 where: bonds (distance) C4'-P energy: -13.131 bonds (distance) P-C4' energy: -9.649 flat angles C4'-P-C4' energy: -14.676 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -13.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -185.674930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.674930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.674930 (E_RNA) where: Base-Base interactions energy: -124.401 where: short stacking energy: -48.228 Base-Backbone interact. energy: -0.108 local terms energy: -61.165954 where: bonds (distance) C4'-P energy: -14.456 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -12.677 flat angles P-C4'-P energy: -7.502 tors. eta vs tors. theta energy: -14.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -171.354383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.354383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.354383 (E_RNA) where: Base-Base interactions energy: -118.296 where: short stacking energy: -45.561 Base-Backbone interact. energy: 0.304 local terms energy: -53.362109 where: bonds (distance) C4'-P energy: -9.985 bonds (distance) P-C4' energy: -9.646 flat angles C4'-P-C4' energy: -14.607 flat angles P-C4'-P energy: -10.201 tors. eta vs tors. theta energy: -8.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -169.628148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.628148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.628148 (E_RNA) where: Base-Base interactions energy: -110.944 where: short stacking energy: -49.021 Base-Backbone interact. energy: -0.011 local terms energy: -58.672803 where: bonds (distance) C4'-P energy: -11.632 bonds (distance) P-C4' energy: -11.411 flat angles C4'-P-C4' energy: -12.373 flat angles P-C4'-P energy: -12.734 tors. eta vs tors. theta energy: -10.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -165.141163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.141163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.141163 (E_RNA) where: Base-Base interactions energy: -108.769 where: short stacking energy: -44.873 Base-Backbone interact. energy: -0.595 local terms energy: -55.776754 where: bonds (distance) C4'-P energy: -10.643 bonds (distance) P-C4' energy: -6.641 flat angles C4'-P-C4' energy: -12.908 flat angles P-C4'-P energy: -10.214 tors. eta vs tors. theta energy: -15.371 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: 8 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -172.508804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.508804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.508804 (E_RNA) where: Base-Base interactions energy: -115.465 where: short stacking energy: -41.030 Base-Backbone interact. energy: -0.383 local terms energy: -56.661265 where: bonds (distance) C4'-P energy: -12.289 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -11.983 flat angles P-C4'-P energy: -6.217 tors. eta vs tors. theta energy: -15.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -69.999021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.999021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.999021 (E_RNA) where: Base-Base interactions energy: -26.078 where: short stacking energy: -26.078 Base-Backbone interact. energy: -0.311 local terms energy: -43.610016 where: bonds (distance) C4'-P energy: -9.064 bonds (distance) P-C4' energy: -10.010 flat angles C4'-P-C4' energy: -13.975 flat angles P-C4'-P energy: -10.767 tors. eta vs tors. theta energy: 0.206 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: 10, replica: 5 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -156.344143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.344143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.344143 (E_RNA) where: Base-Base interactions energy: -108.575 where: short stacking energy: -44.869 Base-Backbone interact. energy: -0.102 local terms energy: -47.667165 where: bonds (distance) C4'-P energy: -9.183 bonds (distance) P-C4' energy: -5.934 flat angles C4'-P-C4' energy: -12.420 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -13.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -185.164940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.164940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.164940 (E_RNA) where: Base-Base interactions energy: -127.471 where: short stacking energy: -52.163 Base-Backbone interact. energy: -0.100 local terms energy: -57.594378 where: bonds (distance) C4'-P energy: -9.343 bonds (distance) P-C4' energy: -12.677 flat angles C4'-P-C4' energy: -13.376 flat angles P-C4'-P energy: -8.951 tors. eta vs tors. theta energy: -13.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -185.918615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.918615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.918615 (E_RNA) where: Base-Base interactions energy: -126.788 where: short stacking energy: -50.689 Base-Backbone interact. energy: -0.102 local terms energy: -59.028836 where: bonds (distance) C4'-P energy: -13.710 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -12.223 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -14.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -188.594061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.594061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.594061 (E_RNA) where: Base-Base interactions energy: -126.058 where: short stacking energy: -45.484 Base-Backbone interact. energy: -0.108 local terms energy: -62.427511 where: bonds (distance) C4'-P energy: -12.522 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -15.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -173.617917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.617917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.617917 (E_RNA) where: Base-Base interactions energy: -120.586 where: short stacking energy: -46.658 Base-Backbone interact. energy: -0.155 local terms energy: -52.876938 where: bonds (distance) C4'-P energy: -13.486 bonds (distance) P-C4' energy: -10.705 flat angles C4'-P-C4' energy: -10.525 flat angles P-C4'-P energy: -8.661 tors. eta vs tors. theta energy: -9.500 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: 1 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -179.979424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.979424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.979424 (E_RNA) where: Base-Base interactions energy: -128.765 where: short stacking energy: -48.820 Base-Backbone interact. energy: -0.470 local terms energy: -50.744136 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -11.331 flat angles C4'-P-C4' energy: -13.535 flat angles P-C4'-P energy: 0.090 tors. eta vs tors. theta energy: -16.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -172.097385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.097385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.097385 (E_RNA) where: Base-Base interactions energy: -113.305 where: short stacking energy: -45.382 Base-Backbone interact. energy: -0.106 local terms energy: -58.686107 where: bonds (distance) C4'-P energy: -10.556 bonds (distance) P-C4' energy: -11.958 flat angles C4'-P-C4' energy: -12.154 flat angles P-C4'-P energy: -10.879 tors. eta vs tors. theta energy: -13.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -173.185617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.185617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.185617 (E_RNA) where: Base-Base interactions energy: -123.509 where: short stacking energy: -44.909 Base-Backbone interact. energy: -0.001 local terms energy: -49.675928 where: bonds (distance) C4'-P energy: -9.439 bonds (distance) P-C4' energy: -9.921 flat angles C4'-P-C4' energy: -10.692 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: -14.304 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: 8 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -157.658549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.658549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.658549 (E_RNA) where: Base-Base interactions energy: -107.047 where: short stacking energy: -35.504 Base-Backbone interact. energy: -0.083 local terms energy: -50.527937 where: bonds (distance) C4'-P energy: -10.291 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -8.770 flat angles P-C4'-P energy: -6.304 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: 9, replica: 5 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -143.738655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.738655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.738655 (E_RNA) where: Base-Base interactions energy: -90.183 where: short stacking energy: -35.779 Base-Backbone interact. energy: -0.332 local terms energy: -53.223619 where: bonds (distance) C4'-P energy: -13.904 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -13.108 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -9.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -62.508352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.508352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.508352 (E_RNA) where: Base-Base interactions energy: -26.074 where: short stacking energy: -17.098 Base-Backbone interact. energy: -0.135 local terms energy: -36.299487 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -13.184 flat angles C4'-P-C4' energy: -9.534 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -2.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -193.703775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.703775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.703775 (E_RNA) where: Base-Base interactions energy: -137.314 where: short stacking energy: -56.701 Base-Backbone interact. energy: -0.107 local terms energy: -56.282986 where: bonds (distance) C4'-P energy: -8.445 bonds (distance) P-C4' energy: -14.597 flat angles C4'-P-C4' energy: -11.320 flat angles P-C4'-P energy: -6.569 tors. eta vs tors. theta energy: -15.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -185.960976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.960976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.960976 (E_RNA) where: Base-Base interactions energy: -121.856 where: short stacking energy: -50.050 Base-Backbone interact. energy: -0.346 local terms energy: -63.759499 where: bonds (distance) C4'-P energy: -13.594 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -12.753 flat angles P-C4'-P energy: -8.917 tors. eta vs tors. theta energy: -14.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -187.345370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.345370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.345370 (E_RNA) where: Base-Base interactions energy: -129.299 where: short stacking energy: -50.141 Base-Backbone interact. energy: -0.625 local terms energy: -57.420723 where: bonds (distance) C4'-P energy: -13.987 bonds (distance) P-C4' energy: -11.788 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -15.899 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: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -177.396652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.396652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.396652 (E_RNA) where: Base-Base interactions energy: -121.008 where: short stacking energy: -45.645 Base-Backbone interact. energy: -0.087 local terms energy: -56.301056 where: bonds (distance) C4'-P energy: -10.895 bonds (distance) P-C4' energy: -11.693 flat angles C4'-P-C4' energy: -13.313 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -15.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -178.354993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.354993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.354993 (E_RNA) where: Base-Base interactions energy: -124.774 where: short stacking energy: -47.656 Base-Backbone interact. energy: -0.003 local terms energy: -53.577793 where: bonds (distance) C4'-P energy: -9.934 bonds (distance) P-C4' energy: -11.890 flat angles C4'-P-C4' energy: -11.030 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -11.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -175.035006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.035006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.035006 (E_RNA) where: Base-Base interactions energy: -120.705 where: short stacking energy: -49.524 Base-Backbone interact. energy: -0.046 local terms energy: -54.284067 where: bonds (distance) C4'-P energy: -12.546 bonds (distance) P-C4' energy: -10.055 flat angles C4'-P-C4' energy: -11.885 flat angles P-C4'-P energy: -6.016 tors. eta vs tors. theta energy: -13.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -158.854677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.854677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.854677 (E_RNA) where: Base-Base interactions energy: -109.625 where: short stacking energy: -45.091 Base-Backbone interact. energy: -0.014 local terms energy: -49.215959 where: bonds (distance) C4'-P energy: -10.783 bonds (distance) P-C4' energy: -8.984 flat angles C4'-P-C4' energy: -10.120 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -14.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -165.931443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.931443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.931443 (E_RNA) where: Base-Base interactions energy: -110.513 where: short stacking energy: -43.416 Base-Backbone interact. energy: -1.176 local terms energy: -54.242543 where: bonds (distance) C4'-P energy: -9.575 bonds (distance) P-C4' energy: -11.294 flat angles C4'-P-C4' energy: -13.548 flat angles P-C4'-P energy: -8.134 tors. eta vs tors. theta energy: -11.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -121.762737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.762737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.762737 (E_RNA) where: Base-Base interactions energy: -79.561 where: short stacking energy: -31.924 Base-Backbone interact. energy: -0.568 local terms energy: -41.634394 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -11.622 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -7.178 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: 10, replica: 4 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -69.417862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.417862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.417862 (E_RNA) where: Base-Base interactions energy: -31.601 where: short stacking energy: -15.906 Base-Backbone interact. energy: -0.225 local terms energy: -37.591937 where: bonds (distance) C4'-P energy: -8.634 bonds (distance) P-C4' energy: -12.125 flat angles C4'-P-C4' energy: -11.038 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -0.342 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: 2 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -194.286237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.286237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.286237 (E_RNA) where: Base-Base interactions energy: -128.146 where: short stacking energy: -55.085 Base-Backbone interact. energy: -0.167 local terms energy: -65.973620 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -12.970 flat angles C4'-P-C4' energy: -13.977 flat angles P-C4'-P energy: -9.696 tors. eta vs tors. theta energy: -16.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -189.750124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.750124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.750124 (E_RNA) where: Base-Base interactions energy: -128.854 where: short stacking energy: -50.949 Base-Backbone interact. energy: -0.010 local terms energy: -60.886671 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -12.205 flat angles C4'-P-C4' energy: -10.603 flat angles P-C4'-P energy: -8.716 tors. eta vs tors. theta energy: -15.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -180.212929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.212929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.212929 (E_RNA) where: Base-Base interactions energy: -121.753 where: short stacking energy: -48.202 Base-Backbone interact. energy: -0.021 local terms energy: -58.438989 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -11.780 flat angles C4'-P-C4' energy: -11.973 flat angles P-C4'-P energy: -9.275 tors. eta vs tors. theta energy: -13.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -183.322860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.322860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.322860 (E_RNA) where: Base-Base interactions energy: -128.003 where: short stacking energy: -50.905 Base-Backbone interact. energy: -0.039 local terms energy: -55.281367 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -12.177 flat angles C4'-P-C4' energy: -9.598 flat angles P-C4'-P energy: -7.173 tors. eta vs tors. theta energy: -14.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -184.072320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.072320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.072320 (E_RNA) where: Base-Base interactions energy: -122.198 where: short stacking energy: -48.690 Base-Backbone interact. energy: -0.977 local terms energy: -60.896474 where: bonds (distance) C4'-P energy: -13.876 bonds (distance) P-C4' energy: -14.044 flat angles C4'-P-C4' energy: -11.905 flat angles P-C4'-P energy: -7.813 tors. eta vs tors. theta energy: -13.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -175.728161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.728161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.728161 (E_RNA) where: Base-Base interactions energy: -117.235 where: short stacking energy: -47.068 Base-Backbone interact. energy: -0.598 local terms energy: -57.895322 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -9.569 flat angles C4'-P-C4' energy: -12.704 flat angles P-C4'-P energy: -8.188 tors. eta vs tors. theta energy: -15.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -171.205705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.205705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.205705 (E_RNA) where: Base-Base interactions energy: -115.957 where: short stacking energy: -43.021 Base-Backbone interact. energy: -1.434 local terms energy: -53.814978 where: bonds (distance) C4'-P energy: -10.693 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -9.887 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -14.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -168.884130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.884130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.884130 (E_RNA) where: Base-Base interactions energy: -120.268 where: short stacking energy: -42.515 Base-Backbone interact. energy: -0.733 local terms energy: -47.883805 where: bonds (distance) C4'-P energy: -7.976 bonds (distance) P-C4' energy: -7.265 flat angles C4'-P-C4' energy: -11.773 flat angles P-C4'-P energy: -8.649 tors. eta vs tors. theta energy: -12.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -130.451370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.451370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.451370 (E_RNA) where: Base-Base interactions energy: -92.578 where: short stacking energy: -23.173 Base-Backbone interact. energy: 0.921 local terms energy: -38.794692 where: bonds (distance) C4'-P energy: -9.963 bonds (distance) P-C4' energy: -9.877 flat angles C4'-P-C4' energy: -4.526 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: -7.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -61.943737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.943737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.943737 (E_RNA) where: Base-Base interactions energy: -15.449 where: short stacking energy: -16.449 Base-Backbone interact. energy: -0.503 local terms energy: -45.991439 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -13.843 flat angles C4'-P-C4' energy: -11.971 flat angles P-C4'-P energy: -9.579 tors. eta vs tors. theta energy: 1.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -190.646792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.646792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.646792 (E_RNA) where: Base-Base interactions energy: -130.260 where: short stacking energy: -50.228 Base-Backbone interact. energy: -0.002 local terms energy: -60.384583 where: bonds (distance) C4'-P energy: -7.965 bonds (distance) P-C4' energy: -14.384 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -7.987 tors. eta vs tors. theta energy: -16.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -184.177078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.177078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.177078 (E_RNA) where: Base-Base interactions energy: -127.024 where: short stacking energy: -56.842 Base-Backbone interact. energy: -0.355 local terms energy: -56.798348 where: bonds (distance) C4'-P energy: -8.566 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -14.012 flat angles P-C4'-P energy: -6.946 tors. eta vs tors. theta energy: -14.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -186.847030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.847030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.847030 (E_RNA) where: Base-Base interactions energy: -132.434 where: short stacking energy: -50.422 Base-Backbone interact. energy: -0.833 local terms energy: -53.579317 where: bonds (distance) C4'-P energy: -7.496 bonds (distance) P-C4' energy: -10.178 flat angles C4'-P-C4' energy: -14.009 flat angles P-C4'-P energy: -9.268 tors. eta vs tors. theta energy: -12.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -182.105875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.105875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.105875 (E_RNA) where: Base-Base interactions energy: -125.365 where: short stacking energy: -44.456 Base-Backbone interact. energy: 0.105 local terms energy: -56.845554 where: bonds (distance) C4'-P energy: -10.465 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -10.153 flat angles P-C4'-P energy: -9.450 tors. eta vs tors. theta energy: -13.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -182.604384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.604384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.604384 (E_RNA) where: Base-Base interactions energy: -127.482 where: short stacking energy: -48.451 Base-Backbone interact. energy: -0.262 local terms energy: -54.859847 where: bonds (distance) C4'-P energy: -8.912 bonds (distance) P-C4' energy: -13.380 flat angles C4'-P-C4' energy: -11.580 flat angles P-C4'-P energy: -7.972 tors. eta vs tors. theta energy: -13.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -192.176252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.176252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.176252 (E_RNA) where: Base-Base interactions energy: -132.390 where: short stacking energy: -48.635 Base-Backbone interact. energy: -0.010 local terms energy: -59.776206 where: bonds (distance) C4'-P energy: -9.973 bonds (distance) P-C4' energy: -13.461 flat angles C4'-P-C4' energy: -11.057 flat angles P-C4'-P energy: -9.065 tors. eta vs tors. theta energy: -16.220 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: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -160.366324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.366324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.366324 (E_RNA) where: Base-Base interactions energy: -111.595 where: short stacking energy: -43.501 Base-Backbone interact. energy: -0.146 local terms energy: -48.624663 where: bonds (distance) C4'-P energy: -9.639 bonds (distance) P-C4' energy: -11.419 flat angles C4'-P-C4' energy: -13.198 flat angles P-C4'-P energy: -2.084 tors. eta vs tors. theta energy: -12.284 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: 8, replica: 10 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -165.967910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.967910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.967910 (E_RNA) where: Base-Base interactions energy: -113.797 where: short stacking energy: -48.570 Base-Backbone interact. energy: -0.129 local terms energy: -52.041238 where: bonds (distance) C4'-P energy: -11.537 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -12.565 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -11.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -165.161565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.161565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.161565 (E_RNA) where: Base-Base interactions energy: -104.027 where: short stacking energy: -39.166 Base-Backbone interact. energy: 0.262 local terms energy: -61.396212 where: bonds (distance) C4'-P energy: -14.405 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -12.033 flat angles P-C4'-P energy: -8.313 tors. eta vs tors. theta energy: -12.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -70.006192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.006192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.006192 (E_RNA) where: Base-Base interactions energy: -24.779 where: short stacking energy: -15.218 Base-Backbone interact. energy: -0.195 local terms energy: -45.032443 where: bonds (distance) C4'-P energy: -12.351 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -9.639 flat angles P-C4'-P energy: -7.816 tors. eta vs tors. theta energy: -1.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -192.386915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.386915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.386915 (E_RNA) where: Base-Base interactions energy: -130.580 where: short stacking energy: -49.884 Base-Backbone interact. energy: -0.108 local terms energy: -61.698236 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -7.692 flat angles P-C4'-P energy: -9.463 tors. eta vs tors. theta energy: -16.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -189.961065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.961065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.961065 (E_RNA) where: Base-Base interactions energy: -131.716 where: short stacking energy: -52.919 Base-Backbone interact. energy: -0.777 local terms energy: -57.468530 where: bonds (distance) C4'-P energy: -9.259 bonds (distance) P-C4' energy: -9.431 flat angles C4'-P-C4' energy: -13.280 flat angles P-C4'-P energy: -8.022 tors. eta vs tors. theta energy: -17.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -181.481403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.481403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.481403 (E_RNA) where: Base-Base interactions energy: -127.533 where: short stacking energy: -52.488 Base-Backbone interact. energy: -0.030 local terms energy: -53.918435 where: bonds (distance) C4'-P energy: -7.920 bonds (distance) P-C4' energy: -12.226 flat angles C4'-P-C4' energy: -12.810 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -15.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -179.765179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.765179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.765179 (E_RNA) where: Base-Base interactions energy: -120.941 where: short stacking energy: -43.764 Base-Backbone interact. energy: -0.134 local terms energy: -58.690030 where: bonds (distance) C4'-P energy: -11.765 bonds (distance) P-C4' energy: -11.259 flat angles C4'-P-C4' energy: -11.363 flat angles P-C4'-P energy: -8.782 tors. eta vs tors. theta energy: -15.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -185.850878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.850878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.850878 (E_RNA) where: Base-Base interactions energy: -127.350 where: short stacking energy: -48.700 Base-Backbone interact. energy: -0.028 local terms energy: -58.472940 where: bonds (distance) C4'-P energy: -13.011 bonds (distance) P-C4' energy: -9.865 flat angles C4'-P-C4' energy: -10.190 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -15.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -176.053211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.053211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.053211 (E_RNA) where: Base-Base interactions energy: -119.552 where: short stacking energy: -44.657 Base-Backbone interact. energy: 1.517 local terms energy: -58.018219 where: bonds (distance) C4'-P energy: -14.015 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -12.769 flat angles P-C4'-P energy: -8.022 tors. eta vs tors. theta energy: -9.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -168.587700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.587700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.587700 (E_RNA) where: Base-Base interactions energy: -116.131 where: short stacking energy: -45.619 Base-Backbone interact. energy: 0.190 local terms energy: -52.646466 where: bonds (distance) C4'-P energy: -11.384 bonds (distance) P-C4' energy: -8.907 flat angles C4'-P-C4' energy: -11.754 flat angles P-C4'-P energy: -6.822 tors. eta vs tors. theta energy: -13.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -144.178983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.178983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.178983 (E_RNA) where: Base-Base interactions energy: -101.723 where: short stacking energy: -39.092 Base-Backbone interact. energy: -0.095 local terms energy: -42.360997 where: bonds (distance) C4'-P energy: -10.212 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.547 flat angles P-C4'-P energy: -9.374 tors. eta vs tors. theta energy: -6.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -163.662767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.662767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.662767 (E_RNA) where: Base-Base interactions energy: -119.468 where: short stacking energy: -49.965 Base-Backbone interact. energy: -0.170 local terms energy: -44.025032 where: bonds (distance) C4'-P energy: -11.045 bonds (distance) P-C4' energy: -9.158 flat angles C4'-P-C4' energy: -7.421 flat angles P-C4'-P energy: -7.466 tors. eta vs tors. theta energy: -8.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -58.410107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.410107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.410107 (E_RNA) where: Base-Base interactions energy: -15.901 where: short stacking energy: -14.865 Base-Backbone interact. energy: 0.104 local terms energy: -42.613741 where: bonds (distance) C4'-P energy: -11.904 bonds (distance) P-C4' energy: -11.054 flat angles C4'-P-C4' energy: -11.194 flat angles P-C4'-P energy: -10.267 tors. eta vs tors. theta energy: 1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -190.131679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.131679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.131679 (E_RNA) where: Base-Base interactions energy: -125.301 where: short stacking energy: -47.248 Base-Backbone interact. energy: -0.000 local terms energy: -64.830109 where: bonds (distance) C4'-P energy: -14.642 bonds (distance) P-C4' energy: -13.505 flat angles C4'-P-C4' energy: -12.634 flat angles P-C4'-P energy: -7.893 tors. eta vs tors. theta energy: -16.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -184.033854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.033854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.033854 (E_RNA) where: Base-Base interactions energy: -122.876 where: short stacking energy: -55.372 Base-Backbone interact. energy: -0.007 local terms energy: -61.150225 where: bonds (distance) C4'-P energy: -10.000 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -14.908 flat angles P-C4'-P energy: -10.918 tors. eta vs tors. theta energy: -11.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -184.249641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.249641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.249641 (E_RNA) where: Base-Base interactions energy: -127.837 where: short stacking energy: -47.566 Base-Backbone interact. energy: 0.036 local terms energy: -56.448612 where: bonds (distance) C4'-P energy: -12.715 bonds (distance) P-C4' energy: -10.675 flat angles C4'-P-C4' energy: -13.716 flat angles P-C4'-P energy: -7.544 tors. eta vs tors. theta energy: -11.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -174.801096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.801096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.801096 (E_RNA) where: Base-Base interactions energy: -116.697 where: short stacking energy: -46.002 Base-Backbone interact. energy: -0.209 local terms energy: -57.895002 where: bonds (distance) C4'-P energy: -10.112 bonds (distance) P-C4' energy: -11.039 flat angles C4'-P-C4' energy: -11.168 flat angles P-C4'-P energy: -11.635 tors. eta vs tors. theta energy: -13.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -181.572709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.572709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.572709 (E_RNA) where: Base-Base interactions energy: -124.222 where: short stacking energy: -40.432 Base-Backbone interact. energy: -0.350 local terms energy: -57.001346 where: bonds (distance) C4'-P energy: -10.974 bonds (distance) P-C4' energy: -14.006 flat angles C4'-P-C4' energy: -10.576 flat angles P-C4'-P energy: -6.542 tors. eta vs tors. theta energy: -14.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -168.793858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.793858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.793858 (E_RNA) where: Base-Base interactions energy: -113.560 where: short stacking energy: -44.033 Base-Backbone interact. energy: 0.907 local terms energy: -56.140669 where: bonds (distance) C4'-P energy: -11.233 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -11.224 flat angles P-C4'-P energy: -7.013 tors. eta vs tors. theta energy: -11.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -163.441391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.441391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.441391 (E_RNA) where: Base-Base interactions energy: -113.402 where: short stacking energy: -42.173 Base-Backbone interact. energy: -0.628 local terms energy: -49.411590 where: bonds (distance) C4'-P energy: -11.686 bonds (distance) P-C4' energy: -6.215 flat angles C4'-P-C4' energy: -11.312 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: -12.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -167.095358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.095358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.095358 (E_RNA) where: Base-Base interactions energy: -110.575 where: short stacking energy: -45.730 Base-Backbone interact. energy: -0.790 local terms energy: -55.730708 where: bonds (distance) C4'-P energy: -9.368 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -11.423 flat angles P-C4'-P energy: -7.933 tors. eta vs tors. theta energy: -12.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -141.788342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.788342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.788342 (E_RNA) where: Base-Base interactions energy: -91.016 where: short stacking energy: -44.031 Base-Backbone interact. energy: -0.064 local terms energy: -50.708372 where: bonds (distance) C4'-P energy: -9.302 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -12.877 flat angles P-C4'-P energy: -6.709 tors. eta vs tors. theta energy: -8.707 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: 10, replica: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -60.601980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.601980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.601980 (E_RNA) where: Base-Base interactions energy: -28.156 where: short stacking energy: -23.998 Base-Backbone interact. energy: -0.063 local terms energy: -32.383199 where: bonds (distance) C4'-P energy: -10.696 bonds (distance) P-C4' energy: -9.828 flat angles C4'-P-C4' energy: -10.996 flat angles P-C4'-P energy: 1.982 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -185.085524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.085524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.085524 (E_RNA) where: Base-Base interactions energy: -120.599 where: short stacking energy: -48.499 Base-Backbone interact. energy: -0.634 local terms energy: -63.853060 where: bonds (distance) C4'-P energy: -13.971 bonds (distance) P-C4' energy: -12.109 flat angles C4'-P-C4' energy: -12.079 flat angles P-C4'-P energy: -8.114 tors. eta vs tors. theta energy: -17.580 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: 2 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -184.980907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.980907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.980907 (E_RNA) where: Base-Base interactions energy: -125.695 where: short stacking energy: -53.247 Base-Backbone interact. energy: -0.239 local terms energy: -59.047191 where: bonds (distance) C4'-P energy: -9.645 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -13.468 flat angles P-C4'-P energy: -6.512 tors. eta vs tors. theta energy: -17.933 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: 1 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -186.462191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.462191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.462191 (E_RNA) where: Base-Base interactions energy: -124.365 where: short stacking energy: -48.187 Base-Backbone interact. energy: 0.838 local terms energy: -62.935237 where: bonds (distance) C4'-P energy: -8.896 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -12.151 flat angles P-C4'-P energy: -11.319 tors. eta vs tors. theta energy: -15.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -180.279192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.279192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.279192 (E_RNA) where: Base-Base interactions energy: -125.337 where: short stacking energy: -51.317 Base-Backbone interact. energy: -0.003 local terms energy: -54.939113 where: bonds (distance) C4'-P energy: -9.259 bonds (distance) P-C4' energy: -11.247 flat angles C4'-P-C4' energy: -12.237 flat angles P-C4'-P energy: -7.374 tors. eta vs tors. theta energy: -14.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -174.384061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.384061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.384061 (E_RNA) where: Base-Base interactions energy: -116.280 where: short stacking energy: -46.378 Base-Backbone interact. energy: -0.003 local terms energy: -58.100729 where: bonds (distance) C4'-P energy: -10.681 bonds (distance) P-C4' energy: -12.553 flat angles C4'-P-C4' energy: -12.701 flat angles P-C4'-P energy: -6.992 tors. eta vs tors. theta energy: -15.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -171.427987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.427987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.427987 (E_RNA) where: Base-Base interactions energy: -112.883 where: short stacking energy: -46.603 Base-Backbone interact. energy: -0.008 local terms energy: -58.536992 where: bonds (distance) C4'-P energy: -13.043 bonds (distance) P-C4' energy: -12.968 flat angles C4'-P-C4' energy: -12.110 flat angles P-C4'-P energy: -8.585 tors. eta vs tors. theta energy: -11.831 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: 5 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -162.101515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.101515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.101515 (E_RNA) where: Base-Base interactions energy: -106.194 where: short stacking energy: -42.493 Base-Backbone interact. energy: -0.355 local terms energy: -55.552781 where: bonds (distance) C4'-P energy: -10.904 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -10.245 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: -16.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -150.607980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.607980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.607980 (E_RNA) where: Base-Base interactions energy: -111.649 where: short stacking energy: -43.936 Base-Backbone interact. energy: 1.567 local terms energy: -40.525768 where: bonds (distance) C4'-P energy: -6.536 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -7.027 tors. eta vs tors. theta energy: -7.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -161.033060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.033060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.033060 (E_RNA) where: Base-Base interactions energy: -116.006 where: short stacking energy: -43.290 Base-Backbone interact. energy: 1.180 local terms energy: -46.206986 where: bonds (distance) C4'-P energy: -5.352 bonds (distance) P-C4' energy: -10.638 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -10.249 tors. eta vs tors. theta energy: -14.531 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: 10, replica: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -64.619873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.619873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.619873 (E_RNA) where: Base-Base interactions energy: -25.490 where: short stacking energy: -13.685 Base-Backbone interact. energy: -0.202 local terms energy: -38.927617 where: bonds (distance) C4'-P energy: -10.548 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -8.853 flat angles P-C4'-P energy: -7.342 tors. eta vs tors. theta energy: 0.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -186.912621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.912621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.912621 (E_RNA) where: Base-Base interactions energy: -127.331 where: short stacking energy: -51.801 Base-Backbone interact. energy: -0.662 local terms energy: -58.919892 where: bonds (distance) C4'-P energy: -10.921 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -13.473 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -15.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -192.737585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.737585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.737585 (E_RNA) where: Base-Base interactions energy: -128.471 where: short stacking energy: -54.787 Base-Backbone interact. energy: -0.002 local terms energy: -64.264723 where: bonds (distance) C4'-P energy: -12.725 bonds (distance) P-C4' energy: -13.675 flat angles C4'-P-C4' energy: -11.471 flat angles P-C4'-P energy: -11.829 tors. eta vs tors. theta energy: -14.564 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: 2 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -186.050741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.050741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.050741 (E_RNA) where: Base-Base interactions energy: -123.490 where: short stacking energy: -45.915 Base-Backbone interact. energy: -0.027 local terms energy: -62.534412 where: bonds (distance) C4'-P energy: -11.214 bonds (distance) P-C4' energy: -10.615 flat angles C4'-P-C4' energy: -14.664 flat angles P-C4'-P energy: -10.843 tors. eta vs tors. theta energy: -15.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -172.481961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.481961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.481961 (E_RNA) where: Base-Base interactions energy: -114.217 where: short stacking energy: -52.574 Base-Backbone interact. energy: -0.001 local terms energy: -58.264208 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -11.560 flat angles C4'-P-C4' energy: -12.191 flat angles P-C4'-P energy: -5.951 tors. eta vs tors. theta energy: -15.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -180.009668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.009668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.009668 (E_RNA) where: Base-Base interactions energy: -118.478 where: short stacking energy: -51.170 Base-Backbone interact. energy: -0.005 local terms energy: -61.526167 where: bonds (distance) C4'-P energy: -11.892 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -11.704 flat angles P-C4'-P energy: -10.406 tors. eta vs tors. theta energy: -15.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -173.260684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.260684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.260684 (E_RNA) where: Base-Base interactions energy: -118.363 where: short stacking energy: -46.545 Base-Backbone interact. energy: -0.038 local terms energy: -54.859612 where: bonds (distance) C4'-P energy: -9.960 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -12.047 flat angles P-C4'-P energy: -6.983 tors. eta vs tors. theta energy: -12.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -175.384732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.384732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.384732 (E_RNA) where: Base-Base interactions energy: -121.367 where: short stacking energy: -49.418 Base-Backbone interact. energy: -0.066 local terms energy: -53.951578 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -9.608 flat angles C4'-P-C4' energy: -12.739 flat angles P-C4'-P energy: -6.828 tors. eta vs tors. theta energy: -11.964 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: 8 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -164.106658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.106658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.106658 (E_RNA) where: Base-Base interactions energy: -115.940 where: short stacking energy: -47.756 Base-Backbone interact. energy: -0.000 local terms energy: -48.165792 where: bonds (distance) C4'-P energy: -5.906 bonds (distance) P-C4' energy: -9.644 flat angles C4'-P-C4' energy: -10.769 flat angles P-C4'-P energy: -8.166 tors. eta vs tors. theta energy: -13.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -153.537719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.537719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.537719 (E_RNA) where: Base-Base interactions energy: -100.750 where: short stacking energy: -42.434 Base-Backbone interact. energy: 0.292 local terms energy: -53.080180 where: bonds (distance) C4'-P energy: -10.638 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -8.282 flat angles P-C4'-P energy: -8.112 tors. eta vs tors. theta energy: -11.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -69.280320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.280320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.280320 (E_RNA) where: Base-Base interactions energy: -30.614 where: short stacking energy: -18.831 Base-Backbone interact. energy: -1.138 local terms energy: -37.528569 where: bonds (distance) C4'-P energy: -12.149 bonds (distance) P-C4' energy: -9.312 flat angles C4'-P-C4' energy: -9.622 flat angles P-C4'-P energy: -7.635 tors. eta vs tors. theta energy: 1.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -191.162775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.162775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.162775 (E_RNA) where: Base-Base interactions energy: -128.801 where: short stacking energy: -49.870 Base-Backbone interact. energy: -0.077 local terms energy: -62.284344 where: bonds (distance) C4'-P energy: -14.609 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -12.531 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -15.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -192.540958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.540958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.540958 (E_RNA) where: Base-Base interactions energy: -137.317 where: short stacking energy: -53.114 Base-Backbone interact. energy: -0.683 local terms energy: -54.540176 where: bonds (distance) C4'-P energy: -10.548 bonds (distance) P-C4' energy: -13.770 flat angles C4'-P-C4' energy: -9.901 flat angles P-C4'-P energy: -6.460 tors. eta vs tors. theta energy: -13.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -195.506790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.506790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.506790 (E_RNA) where: Base-Base interactions energy: -135.545 where: short stacking energy: -49.575 Base-Backbone interact. energy: -0.677 local terms energy: -59.284444 where: bonds (distance) C4'-P energy: -10.414 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -7.347 tors. eta vs tors. theta energy: -16.183 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: 2 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -179.136411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.136411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.136411 (E_RNA) where: Base-Base interactions energy: -116.010 where: short stacking energy: -55.129 Base-Backbone interact. energy: 0.105 local terms energy: -63.231824 where: bonds (distance) C4'-P energy: -11.135 bonds (distance) P-C4' energy: -14.321 flat angles C4'-P-C4' energy: -13.932 flat angles P-C4'-P energy: -6.739 tors. eta vs tors. theta energy: -17.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -181.973606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.973606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.973606 (E_RNA) where: Base-Base interactions energy: -119.757 where: short stacking energy: -49.859 Base-Backbone interact. energy: -0.006 local terms energy: -62.210471 where: bonds (distance) C4'-P energy: -12.377 bonds (distance) P-C4' energy: -14.533 flat angles C4'-P-C4' energy: -13.365 flat angles P-C4'-P energy: -7.465 tors. eta vs tors. theta energy: -14.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -178.791912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.791912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.791912 (E_RNA) where: Base-Base interactions energy: -114.618 where: short stacking energy: -47.947 Base-Backbone interact. energy: -0.050 local terms energy: -64.123784 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -12.700 flat angles C4'-P-C4' energy: -14.658 flat angles P-C4'-P energy: -7.609 tors. eta vs tors. theta energy: -15.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -173.864610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.864610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.864610 (E_RNA) where: Base-Base interactions energy: -118.502 where: short stacking energy: -53.723 Base-Backbone interact. energy: -0.099 local terms energy: -55.263336 where: bonds (distance) C4'-P energy: -7.561 bonds (distance) P-C4' energy: -11.843 flat angles C4'-P-C4' energy: -12.349 flat angles P-C4'-P energy: -7.633 tors. eta vs tors. theta energy: -15.878 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: 3 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -163.430658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.430658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.430658 (E_RNA) where: Base-Base interactions energy: -108.814 where: short stacking energy: -41.786 Base-Backbone interact. energy: 0.190 local terms energy: -54.806494 where: bonds (distance) C4'-P energy: -9.839 bonds (distance) P-C4' energy: -11.696 flat angles C4'-P-C4' energy: -11.633 flat angles P-C4'-P energy: -8.807 tors. eta vs tors. theta energy: -12.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -137.195898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.195898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.195898 (E_RNA) where: Base-Base interactions energy: -88.380 where: short stacking energy: -42.383 Base-Backbone interact. energy: -0.001 local terms energy: -48.815289 where: bonds (distance) C4'-P energy: -4.209 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -11.065 flat angles P-C4'-P energy: -9.422 tors. eta vs tors. theta energy: -10.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -69.437429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.437429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.437429 (E_RNA) where: Base-Base interactions energy: -27.024 where: short stacking energy: -18.164 Base-Backbone interact. energy: -0.080 local terms energy: -42.333362 where: bonds (distance) C4'-P energy: -9.228 bonds (distance) P-C4' energy: -12.278 flat angles C4'-P-C4' energy: -9.716 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -6.165 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: 1 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -190.507940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.507940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.507940 (E_RNA) where: Base-Base interactions energy: -134.443 where: short stacking energy: -49.765 Base-Backbone interact. energy: -0.099 local terms energy: -55.966060 where: bonds (distance) C4'-P energy: -9.968 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -10.854 flat angles P-C4'-P energy: -5.864 tors. eta vs tors. theta energy: -16.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -187.839287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.839287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.839287 (E_RNA) where: Base-Base interactions energy: -130.814 where: short stacking energy: -50.741 Base-Backbone interact. energy: -0.277 local terms energy: -56.748701 where: bonds (distance) C4'-P energy: -12.058 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -12.927 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -14.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -183.828271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.828271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.828271 (E_RNA) where: Base-Base interactions energy: -125.464 where: short stacking energy: -48.017 Base-Backbone interact. energy: -0.966 local terms energy: -57.398194 where: bonds (distance) C4'-P energy: -8.755 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -13.577 flat angles P-C4'-P energy: -9.142 tors. eta vs tors. theta energy: -13.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -179.913330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.913330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.913330 (E_RNA) where: Base-Base interactions energy: -123.160 where: short stacking energy: -46.990 Base-Backbone interact. energy: -0.839 local terms energy: -55.914101 where: bonds (distance) C4'-P energy: -6.226 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -11.825 flat angles P-C4'-P energy: -9.550 tors. eta vs tors. theta energy: -13.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -179.794009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.794009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.794009 (E_RNA) where: Base-Base interactions energy: -124.852 where: short stacking energy: -47.657 Base-Backbone interact. energy: -1.000 local terms energy: -53.942178 where: bonds (distance) C4'-P energy: -10.402 bonds (distance) P-C4' energy: -11.112 flat angles C4'-P-C4' energy: -10.601 flat angles P-C4'-P energy: -8.552 tors. eta vs tors. theta energy: -13.276 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: 8 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -177.954388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.954388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.954388 (E_RNA) where: Base-Base interactions energy: -121.405 where: short stacking energy: -47.293 Base-Backbone interact. energy: -0.001 local terms energy: -56.548444 where: bonds (distance) C4'-P energy: -10.828 bonds (distance) P-C4' energy: -11.101 flat angles C4'-P-C4' energy: -10.664 flat angles P-C4'-P energy: -10.454 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: 7, replica: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -171.654288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.654288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.654288 (E_RNA) where: Base-Base interactions energy: -116.513 where: short stacking energy: -44.739 Base-Backbone interact. energy: -1.146 local terms energy: -53.994604 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -10.676 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -16.209 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: 3 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -166.505288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.505288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.505288 (E_RNA) where: Base-Base interactions energy: -116.236 where: short stacking energy: -43.469 Base-Backbone interact. energy: -0.014 local terms energy: -50.255813 where: bonds (distance) C4'-P energy: -11.735 bonds (distance) P-C4' energy: -9.634 flat angles C4'-P-C4' energy: -8.089 flat angles P-C4'-P energy: -8.952 tors. eta vs tors. theta energy: -11.846 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: 7 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -155.816355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.816355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.816355 (E_RNA) where: Base-Base interactions energy: -100.478 where: short stacking energy: -45.590 Base-Backbone interact. energy: -0.011 local terms energy: -55.328174 where: bonds (distance) C4'-P energy: -11.071 bonds (distance) P-C4' energy: -8.213 flat angles C4'-P-C4' energy: -12.022 flat angles P-C4'-P energy: -10.239 tors. eta vs tors. theta energy: -13.784 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: 4 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -61.163992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.163992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.163992 (E_RNA) where: Base-Base interactions energy: -19.244 where: short stacking energy: -13.637 Base-Backbone interact. energy: 0.623 local terms energy: -42.543033 where: bonds (distance) C4'-P energy: -13.959 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -5.180 tors. eta vs tors. theta energy: -1.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -189.559050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.559050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.559050 (E_RNA) where: Base-Base interactions energy: -126.065 where: short stacking energy: -46.588 Base-Backbone interact. energy: -0.045 local terms energy: -63.448419 where: bonds (distance) C4'-P energy: -12.138 bonds (distance) P-C4' energy: -10.604 flat angles C4'-P-C4' energy: -15.333 flat angles P-C4'-P energy: -9.931 tors. eta vs tors. theta energy: -15.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -184.380281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.380281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.380281 (E_RNA) where: Base-Base interactions energy: -124.061 where: short stacking energy: -53.410 Base-Backbone interact. energy: -0.005 local terms energy: -60.313719 where: bonds (distance) C4'-P energy: -9.226 bonds (distance) P-C4' energy: -13.815 flat angles C4'-P-C4' energy: -12.583 flat angles P-C4'-P energy: -9.082 tors. eta vs tors. theta energy: -15.607 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: 432 Temperature: 1.000000 Total energy: -185.353367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.353367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.353367 (E_RNA) where: Base-Base interactions energy: -124.395 where: short stacking energy: -46.404 Base-Backbone interact. energy: -0.301 local terms energy: -60.656747 where: bonds (distance) C4'-P energy: -11.864 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -12.778 flat angles P-C4'-P energy: -9.355 tors. eta vs tors. theta energy: -15.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -176.053224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.053224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.053224 (E_RNA) where: Base-Base interactions energy: -121.740 where: short stacking energy: -43.353 Base-Backbone interact. energy: -0.297 local terms energy: -54.015814 where: bonds (distance) C4'-P energy: -11.781 bonds (distance) P-C4' energy: -13.121 flat angles C4'-P-C4' energy: -12.191 flat angles P-C4'-P energy: -7.253 tors. eta vs tors. theta energy: -9.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -178.122845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.122845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.122845 (E_RNA) where: Base-Base interactions energy: -122.302 where: short stacking energy: -49.827 Base-Backbone interact. energy: -0.030 local terms energy: -55.790351 where: bonds (distance) C4'-P energy: -9.757 bonds (distance) P-C4' energy: -11.634 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: -16.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -171.076832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.076832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.076832 (E_RNA) where: Base-Base interactions energy: -113.506 where: short stacking energy: -44.998 Base-Backbone interact. energy: -1.444 local terms energy: -56.126701 where: bonds (distance) C4'-P energy: -14.348 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -10.510 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -12.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -170.652520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.652520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.652520 (E_RNA) where: Base-Base interactions energy: -113.504 where: short stacking energy: -52.996 Base-Backbone interact. energy: -0.203 local terms energy: -56.945500 where: bonds (distance) C4'-P energy: -12.158 bonds (distance) P-C4' energy: -10.422 flat angles C4'-P-C4' energy: -12.467 flat angles P-C4'-P energy: -6.899 tors. eta vs tors. theta energy: -14.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -166.645829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.645829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.645829 (E_RNA) where: Base-Base interactions energy: -109.989 where: short stacking energy: -43.078 Base-Backbone interact. energy: -0.000 local terms energy: -56.656772 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -12.889 flat angles C4'-P-C4' energy: -9.121 flat angles P-C4'-P energy: -7.991 tors. eta vs tors. theta energy: -12.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -156.717266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.717266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.717266 (E_RNA) where: Base-Base interactions energy: -101.311 where: short stacking energy: -42.821 Base-Backbone interact. energy: -0.035 local terms energy: -55.371408 where: bonds (distance) C4'-P energy: -9.429 bonds (distance) P-C4' energy: -10.280 flat angles C4'-P-C4' energy: -12.084 flat angles P-C4'-P energy: -9.965 tors. eta vs tors. theta energy: -13.613 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: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -63.079978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.079978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.079978 (E_RNA) where: Base-Base interactions energy: -24.220 where: short stacking energy: -19.326 Base-Backbone interact. energy: -0.205 local terms energy: -38.654898 where: bonds (distance) C4'-P energy: -10.543 bonds (distance) P-C4' energy: -10.273 flat angles C4'-P-C4' energy: -11.531 flat angles P-C4'-P energy: -6.729 tors. eta vs tors. theta energy: 0.422 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: 10 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -192.699220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.699220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.699220 (E_RNA) where: Base-Base interactions energy: -133.763 where: short stacking energy: -51.018 Base-Backbone interact. energy: -0.070 local terms energy: -58.865529 where: bonds (distance) C4'-P energy: -11.128 bonds (distance) P-C4' energy: -12.837 flat angles C4'-P-C4' energy: -12.470 flat angles P-C4'-P energy: -7.852 tors. eta vs tors. theta energy: -14.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -190.162971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.162971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.162971 (E_RNA) where: Base-Base interactions energy: -127.925 where: short stacking energy: -52.059 Base-Backbone interact. energy: -0.672 local terms energy: -61.566199 where: bonds (distance) C4'-P energy: -11.354 bonds (distance) P-C4' energy: -14.286 flat angles C4'-P-C4' energy: -12.094 flat angles P-C4'-P energy: -9.686 tors. eta vs tors. theta energy: -14.146 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: 6 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -192.029214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.029214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.029214 (E_RNA) where: Base-Base interactions energy: -131.801 where: short stacking energy: -49.823 Base-Backbone interact. energy: -0.082 local terms energy: -60.146645 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -11.263 flat angles C4'-P-C4' energy: -13.405 flat angles P-C4'-P energy: -6.685 tors. eta vs tors. theta energy: -15.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -181.480632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.480632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.480632 (E_RNA) where: Base-Base interactions energy: -127.240 where: short stacking energy: -52.102 Base-Backbone interact. energy: -0.005 local terms energy: -54.236123 where: bonds (distance) C4'-P energy: -10.755 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -11.679 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -13.775 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: 9 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -168.788808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.788808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.788808 (E_RNA) where: Base-Base interactions energy: -117.761 where: short stacking energy: -47.073 Base-Backbone interact. energy: -0.595 local terms energy: -50.432030 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -6.806 flat angles C4'-P-C4' energy: -11.609 flat angles P-C4'-P energy: -6.669 tors. eta vs tors. theta energy: -12.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -176.178065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.178065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.178065 (E_RNA) where: Base-Base interactions energy: -121.231 where: short stacking energy: -46.898 Base-Backbone interact. energy: -0.348 local terms energy: -54.598468 where: bonds (distance) C4'-P energy: -12.754 bonds (distance) P-C4' energy: -10.601 flat angles C4'-P-C4' energy: -10.476 flat angles P-C4'-P energy: -5.169 tors. eta vs tors. theta energy: -15.599 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: 7, replica: 8 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -162.340842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.340842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.340842 (E_RNA) where: Base-Base interactions energy: -110.358 where: short stacking energy: -43.139 Base-Backbone interact. energy: -0.244 local terms energy: -51.738084 where: bonds (distance) C4'-P energy: -9.688 bonds (distance) P-C4' energy: -11.224 flat angles C4'-P-C4' energy: -12.230 flat angles P-C4'-P energy: -8.411 tors. eta vs tors. theta energy: -10.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -164.310342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.310342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.310342 (E_RNA) where: Base-Base interactions energy: -113.325 where: short stacking energy: -43.299 Base-Backbone interact. energy: -0.004 local terms energy: -50.981445 where: bonds (distance) C4'-P energy: -8.383 bonds (distance) P-C4' energy: -9.697 flat angles C4'-P-C4' energy: -12.511 flat angles P-C4'-P energy: -7.483 tors. eta vs tors. theta energy: -12.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -156.177324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.177324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.177324 (E_RNA) where: Base-Base interactions energy: -103.524 where: short stacking energy: -41.096 Base-Backbone interact. energy: -0.291 local terms energy: -52.362780 where: bonds (distance) C4'-P energy: -11.752 bonds (distance) P-C4' energy: -9.362 flat angles C4'-P-C4' energy: -12.366 flat angles P-C4'-P energy: -5.192 tors. eta vs tors. theta energy: -13.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -62.581205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.581205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.581205 (E_RNA) where: Base-Base interactions energy: -16.063 where: short stacking energy: -16.063 Base-Backbone interact. energy: -0.074 local terms energy: -46.443334 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -9.894 flat angles P-C4'-P energy: -5.537 tors. eta vs tors. theta energy: -5.418 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: 434 Temperature: 0.900000 Total energy: -191.663402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.663402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.663402 (E_RNA) where: Base-Base interactions energy: -135.599 where: short stacking energy: -54.285 Base-Backbone interact. energy: -0.003 local terms energy: -56.061465 where: bonds (distance) C4'-P energy: -8.241 bonds (distance) P-C4' energy: -12.380 flat angles C4'-P-C4' energy: -11.769 flat angles P-C4'-P energy: -10.143 tors. eta vs tors. theta energy: -13.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -186.332634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.332634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.332634 (E_RNA) where: Base-Base interactions energy: -124.884 where: short stacking energy: -49.464 Base-Backbone interact. energy: -0.144 local terms energy: -61.304117 where: bonds (distance) C4'-P energy: -12.000 bonds (distance) P-C4' energy: -10.852 flat angles C4'-P-C4' energy: -13.887 flat angles P-C4'-P energy: -9.536 tors. eta vs tors. theta energy: -15.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -188.510297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.510297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.510297 (E_RNA) where: Base-Base interactions energy: -120.272 where: short stacking energy: -50.726 Base-Backbone interact. energy: -0.157 local terms energy: -68.081573 where: bonds (distance) C4'-P energy: -13.372 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -13.007 flat angles P-C4'-P energy: -9.145 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: 4, replica: 2 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -180.832738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.832738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.832738 (E_RNA) where: Base-Base interactions energy: -121.605 where: short stacking energy: -52.640 Base-Backbone interact. energy: -0.005 local terms energy: -59.222924 where: bonds (distance) C4'-P energy: -12.228 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -11.647 flat angles P-C4'-P energy: -6.246 tors. eta vs tors. theta energy: -14.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -182.098996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.098996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.098996 (E_RNA) where: Base-Base interactions energy: -126.007 where: short stacking energy: -49.106 Base-Backbone interact. energy: 0.126 local terms energy: -56.218310 where: bonds (distance) C4'-P energy: -10.058 bonds (distance) P-C4' energy: -12.901 flat angles C4'-P-C4' energy: -12.575 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -16.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -173.629662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.629662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.629662 (E_RNA) where: Base-Base interactions energy: -117.060 where: short stacking energy: -48.004 Base-Backbone interact. energy: 0.014 local terms energy: -56.583174 where: bonds (distance) C4'-P energy: -8.411 bonds (distance) P-C4' energy: -10.939 flat angles C4'-P-C4' energy: -12.821 flat angles P-C4'-P energy: -12.317 tors. eta vs tors. theta energy: -12.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -158.380528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.380528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.380528 (E_RNA) where: Base-Base interactions energy: -103.095 where: short stacking energy: -41.700 Base-Backbone interact. energy: -0.026 local terms energy: -55.260378 where: bonds (distance) C4'-P energy: -15.275 bonds (distance) P-C4' energy: -12.466 flat angles C4'-P-C4' energy: -14.464 flat angles P-C4'-P energy: -7.059 tors. eta vs tors. theta energy: -5.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -166.893995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.893995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.893995 (E_RNA) where: Base-Base interactions energy: -117.379 where: short stacking energy: -47.786 Base-Backbone interact. energy: -0.103 local terms energy: -49.412189 where: bonds (distance) C4'-P energy: -9.918 bonds (distance) P-C4' energy: -11.934 flat angles C4'-P-C4' energy: -12.370 flat angles P-C4'-P energy: -1.933 tors. eta vs tors. theta energy: -13.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -68.672354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.672354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.672354 (E_RNA) where: Base-Base interactions energy: -30.785 where: short stacking energy: -30.111 Base-Backbone interact. energy: -0.181 local terms energy: -37.706360 where: bonds (distance) C4'-P energy: -14.331 bonds (distance) P-C4' energy: -10.125 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -57.634180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.634180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.634180 (E_RNA) where: Base-Base interactions energy: -22.683 where: short stacking energy: -14.670 Base-Backbone interact. energy: -0.145 local terms energy: -34.806151 where: bonds (distance) C4'-P energy: -10.808 bonds (distance) P-C4' energy: -7.540 flat angles C4'-P-C4' energy: -8.670 flat angles P-C4'-P energy: -8.347 tors. eta vs tors. theta energy: 0.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -192.410894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.410894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.410894 (E_RNA) where: Base-Base interactions energy: -128.814 where: short stacking energy: -53.511 Base-Backbone interact. energy: -1.450 local terms energy: -62.146498 where: bonds (distance) C4'-P energy: -12.804 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -11.067 flat angles P-C4'-P energy: -8.552 tors. eta vs tors. theta energy: -16.058 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: 435 Temperature: 0.950000 Total energy: -185.153144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.153144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.153144 (E_RNA) where: Base-Base interactions energy: -125.714 where: short stacking energy: -52.503 Base-Backbone interact. energy: -0.019 local terms energy: -59.419779 where: bonds (distance) C4'-P energy: -12.361 bonds (distance) P-C4' energy: -12.681 flat angles C4'-P-C4' energy: -12.939 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -15.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -185.682592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.682592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.682592 (E_RNA) where: Base-Base interactions energy: -121.470 where: short stacking energy: -49.579 Base-Backbone interact. energy: -1.018 local terms energy: -63.194654 where: bonds (distance) C4'-P energy: -12.625 bonds (distance) P-C4' energy: -13.702 flat angles C4'-P-C4' energy: -11.002 flat angles P-C4'-P energy: -9.534 tors. eta vs tors. theta energy: -16.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -177.570789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.570789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.570789 (E_RNA) where: Base-Base interactions energy: -121.545 where: short stacking energy: -45.888 Base-Backbone interact. energy: -0.027 local terms energy: -55.998570 where: bonds (distance) C4'-P energy: -13.566 bonds (distance) P-C4' energy: -11.074 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: -12.751 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: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -178.372320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.372320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.372320 (E_RNA) where: Base-Base interactions energy: -118.925 where: short stacking energy: -55.286 Base-Backbone interact. energy: -0.868 local terms energy: -58.579617 where: bonds (distance) C4'-P energy: -13.335 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -12.547 flat angles P-C4'-P energy: -7.493 tors. eta vs tors. theta energy: -11.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -173.065937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.065937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.065937 (E_RNA) where: Base-Base interactions energy: -119.781 where: short stacking energy: -44.483 Base-Backbone interact. energy: -1.421 local terms energy: -51.864330 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -11.497 flat angles P-C4'-P energy: -7.348 tors. eta vs tors. theta energy: -11.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -162.882524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.882524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.882524 (E_RNA) where: Base-Base interactions energy: -107.460 where: short stacking energy: -42.707 Base-Backbone interact. energy: -0.004 local terms energy: -55.418789 where: bonds (distance) C4'-P energy: -13.558 bonds (distance) P-C4' energy: -11.395 flat angles C4'-P-C4' energy: -11.585 flat angles P-C4'-P energy: -6.933 tors. eta vs tors. theta energy: -11.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -161.342318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.342318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.342318 (E_RNA) where: Base-Base interactions energy: -105.542 where: short stacking energy: -40.658 Base-Backbone interact. energy: -0.099 local terms energy: -55.702158 where: bonds (distance) C4'-P energy: -10.667 bonds (distance) P-C4' energy: -12.066 flat angles C4'-P-C4' energy: -11.265 flat angles P-C4'-P energy: -9.441 tors. eta vs tors. theta energy: -12.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -150.288318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.288318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.288318 (E_RNA) where: Base-Base interactions energy: -98.950 where: short stacking energy: -41.944 Base-Backbone interact. energy: -0.015 local terms energy: -51.322899 where: bonds (distance) C4'-P energy: -12.261 bonds (distance) P-C4' energy: -9.812 flat angles C4'-P-C4' energy: -10.548 flat angles P-C4'-P energy: -8.511 tors. eta vs tors. theta energy: -10.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -78.525776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.525776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.525776 (E_RNA) where: Base-Base interactions energy: -39.343 where: short stacking energy: -32.981 Base-Backbone interact. energy: -0.081 local terms energy: -39.102001 where: bonds (distance) C4'-P energy: -9.669 bonds (distance) P-C4' energy: -11.753 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -5.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -185.044260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.044260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.044260 (E_RNA) where: Base-Base interactions energy: -133.968 where: short stacking energy: -49.501 Base-Backbone interact. energy: -0.651 local terms energy: -50.425671 where: bonds (distance) C4'-P energy: -10.601 bonds (distance) P-C4' energy: -11.058 flat angles C4'-P-C4' energy: -11.626 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -13.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -183.682983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.682983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.682983 (E_RNA) where: Base-Base interactions energy: -127.603 where: short stacking energy: -55.568 Base-Backbone interact. energy: -0.098 local terms energy: -55.982292 where: bonds (distance) C4'-P energy: -7.798 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -11.942 flat angles P-C4'-P energy: -6.992 tors. eta vs tors. theta energy: -14.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -181.589990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.589990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.589990 (E_RNA) where: Base-Base interactions energy: -123.677 where: short stacking energy: -47.460 Base-Backbone interact. energy: -0.012 local terms energy: -57.900712 where: bonds (distance) C4'-P energy: -10.783 bonds (distance) P-C4' energy: -10.632 flat angles C4'-P-C4' energy: -12.464 flat angles P-C4'-P energy: -9.142 tors. eta vs tors. theta energy: -14.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -180.201119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.201119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.201119 (E_RNA) where: Base-Base interactions energy: -118.029 where: short stacking energy: -45.889 Base-Backbone interact. energy: -0.100 local terms energy: -62.072249 where: bonds (distance) C4'-P energy: -11.798 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -12.542 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: -14.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -168.988465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.988465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.988465 (E_RNA) where: Base-Base interactions energy: -115.510 where: short stacking energy: -50.845 Base-Backbone interact. energy: -0.001 local terms energy: -53.477346 where: bonds (distance) C4'-P energy: -9.740 bonds (distance) P-C4' energy: -12.141 flat angles C4'-P-C4' energy: -12.127 flat angles P-C4'-P energy: -4.992 tors. eta vs tors. theta energy: -14.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -177.459996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.459996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.459996 (E_RNA) where: Base-Base interactions energy: -121.058 where: short stacking energy: -54.590 Base-Backbone interact. energy: -0.000 local terms energy: -56.402120 where: bonds (distance) C4'-P energy: -13.222 bonds (distance) P-C4' energy: -10.473 flat angles C4'-P-C4' energy: -10.475 flat angles P-C4'-P energy: -6.697 tors. eta vs tors. theta energy: -15.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -155.179747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.179747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.179747 (E_RNA) where: Base-Base interactions energy: -106.060 where: short stacking energy: -44.074 Base-Backbone interact. energy: -0.338 local terms energy: -48.782014 where: bonds (distance) C4'-P energy: -7.512 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -7.612 tors. eta vs tors. theta energy: -13.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -162.751700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.751700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.751700 (E_RNA) where: Base-Base interactions energy: -108.053 where: short stacking energy: -43.344 Base-Backbone interact. energy: 0.324 local terms energy: -55.023118 where: bonds (distance) C4'-P energy: -9.489 bonds (distance) P-C4' energy: -10.643 flat angles C4'-P-C4' energy: -14.239 flat angles P-C4'-P energy: -9.340 tors. eta vs tors. theta energy: -11.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -166.268347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.268347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.268347 (E_RNA) where: Base-Base interactions energy: -114.873 where: short stacking energy: -47.268 Base-Backbone interact. energy: -0.892 local terms energy: -50.503188 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -9.170 flat angles C4'-P-C4' energy: -11.731 flat angles P-C4'-P energy: -10.240 tors. eta vs tors. theta energy: -11.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -59.835181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.835181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.835181 (E_RNA) where: Base-Base interactions energy: -20.581 where: short stacking energy: -16.622 Base-Backbone interact. energy: -0.087 local terms energy: -39.167204 where: bonds (distance) C4'-P energy: -9.922 bonds (distance) P-C4' energy: -11.532 flat angles C4'-P-C4' energy: -11.350 flat angles P-C4'-P energy: -5.700 tors. eta vs tors. theta energy: -0.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -191.412917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.412917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.412917 (E_RNA) where: Base-Base interactions energy: -129.223 where: short stacking energy: -48.371 Base-Backbone interact. energy: -0.146 local terms energy: -62.043979 where: bonds (distance) C4'-P energy: -13.872 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -12.868 flat angles P-C4'-P energy: -8.183 tors. eta vs tors. theta energy: -13.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -190.905954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.905954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.905954 (E_RNA) where: Base-Base interactions energy: -130.237 where: short stacking energy: -56.416 Base-Backbone interact. energy: 1.157 local terms energy: -61.825624 where: bonds (distance) C4'-P energy: -12.377 bonds (distance) P-C4' energy: -12.914 flat angles C4'-P-C4' energy: -12.796 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -15.399 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: 437 Temperature: 1.000000 Total energy: -184.077139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.077139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.077139 (E_RNA) where: Base-Base interactions energy: -126.321 where: short stacking energy: -46.334 Base-Backbone interact. energy: -0.450 local terms energy: -57.305621 where: bonds (distance) C4'-P energy: -14.873 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -13.403 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: -10.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -183.566630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.566630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.566630 (E_RNA) where: Base-Base interactions energy: -127.783 where: short stacking energy: -53.917 Base-Backbone interact. energy: -0.019 local terms energy: -55.764767 where: bonds (distance) C4'-P energy: -12.832 bonds (distance) P-C4' energy: -11.953 flat angles C4'-P-C4' energy: -12.739 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -15.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -182.814330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.814330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.814330 (E_RNA) where: Base-Base interactions energy: -129.084 where: short stacking energy: -54.187 Base-Backbone interact. energy: -0.001 local terms energy: -53.730035 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -11.965 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -8.208 tors. eta vs tors. theta energy: -14.840 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: 6, replica: 8 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -171.089734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.089734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.089734 (E_RNA) where: Base-Base interactions energy: -117.465 where: short stacking energy: -46.845 Base-Backbone interact. energy: -0.002 local terms energy: -53.622679 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -8.737 flat angles C4'-P-C4' energy: -10.823 flat angles P-C4'-P energy: -9.207 tors. eta vs tors. theta energy: -13.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -163.272246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.272246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.272246 (E_RNA) where: Base-Base interactions energy: -114.019 where: short stacking energy: -42.434 Base-Backbone interact. energy: -0.003 local terms energy: -49.249607 where: bonds (distance) C4'-P energy: -11.843 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -11.433 flat angles P-C4'-P energy: -6.098 tors. eta vs tors. theta energy: -9.918 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: 8, replica: 4 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -165.730662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.730662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.730662 (E_RNA) where: Base-Base interactions energy: -112.102 where: short stacking energy: -42.845 Base-Backbone interact. energy: -0.062 local terms energy: -53.566624 where: bonds (distance) C4'-P energy: -12.646 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -9.718 flat angles P-C4'-P energy: -6.721 tors. eta vs tors. theta energy: -10.735 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: 5 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -167.895254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.895254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.895254 (E_RNA) where: Base-Base interactions energy: -108.733 where: short stacking energy: -45.307 Base-Backbone interact. energy: -0.044 local terms energy: -59.118008 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -12.848 flat angles P-C4'-P energy: -9.992 tors. eta vs tors. theta energy: -11.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -61.819530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.819530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.819530 (E_RNA) where: Base-Base interactions energy: -23.640 where: short stacking energy: -21.462 Base-Backbone interact. energy: -0.097 local terms energy: -38.082498 where: bonds (distance) C4'-P energy: -10.026 bonds (distance) P-C4' energy: -10.432 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -6.833 tors. eta vs tors. theta energy: -3.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -186.773843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.773843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.773843 (E_RNA) where: Base-Base interactions energy: -120.950 where: short stacking energy: -51.192 Base-Backbone interact. energy: -0.040 local terms energy: -65.784037 where: bonds (distance) C4'-P energy: -14.679 bonds (distance) P-C4' energy: -13.452 flat angles C4'-P-C4' energy: -12.140 flat angles P-C4'-P energy: -10.612 tors. eta vs tors. theta energy: -14.901 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: 1 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -184.849553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.849553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.849553 (E_RNA) where: Base-Base interactions energy: -128.387 where: short stacking energy: -46.537 Base-Backbone interact. energy: -0.038 local terms energy: -56.424180 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -13.638 flat angles C4'-P-C4' energy: -12.819 flat angles P-C4'-P energy: -7.641 tors. eta vs tors. theta energy: -9.985 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: 10 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -187.750650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.750650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.750650 (E_RNA) where: Base-Base interactions energy: -123.164 where: short stacking energy: -48.603 Base-Backbone interact. energy: -0.178 local terms energy: -64.409070 where: bonds (distance) C4'-P energy: -12.786 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -12.023 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -14.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -173.285885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.285885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.285885 (E_RNA) where: Base-Base interactions energy: -117.502 where: short stacking energy: -54.983 Base-Backbone interact. energy: -0.052 local terms energy: -55.731798 where: bonds (distance) C4'-P energy: -11.648 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -13.662 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: 5, replica: 8 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -180.200038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.200038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.200038 (E_RNA) where: Base-Base interactions energy: -120.407 where: short stacking energy: -42.872 Base-Backbone interact. energy: 0.032 local terms energy: -59.825512 where: bonds (distance) C4'-P energy: -12.556 bonds (distance) P-C4' energy: -12.046 flat angles C4'-P-C4' energy: -11.241 flat angles P-C4'-P energy: -8.261 tors. eta vs tors. theta energy: -15.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -168.076466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.076466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.076466 (E_RNA) where: Base-Base interactions energy: -117.165 where: short stacking energy: -44.835 Base-Backbone interact. energy: -0.382 local terms energy: -50.529828 where: bonds (distance) C4'-P energy: -10.539 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -9.350 flat angles P-C4'-P energy: -6.182 tors. eta vs tors. theta energy: -11.563 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: 4 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -172.819309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.819309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.819309 (E_RNA) where: Base-Base interactions energy: -119.642 where: short stacking energy: -44.026 Base-Backbone interact. energy: -0.004 local terms energy: -53.173383 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.962 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -11.022 tors. eta vs tors. theta energy: -11.593 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: 9 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -162.621347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.621347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.621347 (E_RNA) where: Base-Base interactions energy: -114.018 where: short stacking energy: -48.562 Base-Backbone interact. energy: -0.001 local terms energy: -48.601867 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -9.335 flat angles P-C4'-P energy: -9.358 tors. eta vs tors. theta energy: -8.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -158.852759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.852759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.852759 (E_RNA) where: Base-Base interactions energy: -109.341 where: short stacking energy: -44.632 Base-Backbone interact. energy: -0.810 local terms energy: -48.701760 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -7.735 tors. eta vs tors. theta energy: -11.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -60.450070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.450070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.450070 (E_RNA) where: Base-Base interactions energy: -23.496 where: short stacking energy: -17.612 Base-Backbone interact. energy: -0.203 local terms energy: -36.750647 where: bonds (distance) C4'-P energy: -12.361 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -7.014 tors. eta vs tors. theta energy: 1.085 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: 439 Temperature: 0.900000 Total energy: -189.762039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.762039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.762039 (E_RNA) where: Base-Base interactions energy: -132.224 where: short stacking energy: -56.062 Base-Backbone interact. energy: -0.735 local terms energy: -56.803494 where: bonds (distance) C4'-P energy: -9.733 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -11.744 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -17.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -190.353667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.353667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.353667 (E_RNA) where: Base-Base interactions energy: -125.487 where: short stacking energy: -52.773 Base-Backbone interact. energy: -0.163 local terms energy: -64.703691 where: bonds (distance) C4'-P energy: -13.450 bonds (distance) P-C4' energy: -13.748 flat angles C4'-P-C4' energy: -11.981 flat angles P-C4'-P energy: -11.485 tors. eta vs tors. theta energy: -14.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -184.821667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.821667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.821667 (E_RNA) where: Base-Base interactions energy: -123.210 where: short stacking energy: -53.482 Base-Backbone interact. energy: -0.550 local terms energy: -61.061629 where: bonds (distance) C4'-P energy: -12.981 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -11.771 flat angles P-C4'-P energy: -12.459 tors. eta vs tors. theta energy: -15.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -181.918582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.918582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.918582 (E_RNA) where: Base-Base interactions energy: -125.951 where: short stacking energy: -48.663 Base-Backbone interact. energy: -0.088 local terms energy: -55.879874 where: bonds (distance) C4'-P energy: -9.615 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -13.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -182.910067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.910067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.910067 (E_RNA) where: Base-Base interactions energy: -122.108 where: short stacking energy: -44.943 Base-Backbone interact. energy: -0.156 local terms energy: -60.645951 where: bonds (distance) C4'-P energy: -10.199 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -13.190 flat angles P-C4'-P energy: -11.081 tors. eta vs tors. theta energy: -12.234 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: 4 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -171.363227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.363227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.363227 (E_RNA) where: Base-Base interactions energy: -107.344 where: short stacking energy: -42.321 Base-Backbone interact. energy: -0.462 local terms energy: -63.557603 where: bonds (distance) C4'-P energy: -11.752 bonds (distance) P-C4' energy: -13.466 flat angles C4'-P-C4' energy: -13.944 flat angles P-C4'-P energy: -10.790 tors. eta vs tors. theta energy: -13.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -170.656403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.656403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.656403 (E_RNA) where: Base-Base interactions energy: -110.310 where: short stacking energy: -38.618 Base-Backbone interact. energy: -0.686 local terms energy: -59.660349 where: bonds (distance) C4'-P energy: -13.976 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -9.646 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -12.309 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: 9 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -168.733111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.733111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.733111 (E_RNA) where: Base-Base interactions energy: -117.168 where: short stacking energy: -50.336 Base-Backbone interact. energy: -0.624 local terms energy: -50.940919 where: bonds (distance) C4'-P energy: -8.445 bonds (distance) P-C4' energy: -8.932 flat angles C4'-P-C4' energy: -11.168 flat angles P-C4'-P energy: -9.723 tors. eta vs tors. theta energy: -12.673 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: 439 Temperature: 1.300000 Total energy: -133.942473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.942473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.942473 (E_RNA) where: Base-Base interactions energy: -77.780 where: short stacking energy: -38.339 Base-Backbone interact. energy: -0.160 local terms energy: -56.001723 where: bonds (distance) C4'-P energy: -12.021 bonds (distance) P-C4' energy: -12.011 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -6.222 tors. eta vs tors. theta energy: -11.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -61.381097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.381097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.381097 (E_RNA) where: Base-Base interactions energy: -18.735 where: short stacking energy: -14.365 Base-Backbone interact. energy: -1.608 local terms energy: -41.038431 where: bonds (distance) C4'-P energy: -10.834 bonds (distance) P-C4' energy: -11.563 flat angles C4'-P-C4' energy: -11.336 flat angles P-C4'-P energy: -7.487 tors. eta vs tors. theta energy: 0.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -186.558765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.558765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.558765 (E_RNA) where: Base-Base interactions energy: -122.533 where: short stacking energy: -51.605 Base-Backbone interact. energy: -0.124 local terms energy: -63.901798 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -14.846 flat angles P-C4'-P energy: -5.702 tors. eta vs tors. theta energy: -17.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -190.593771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.593771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.593771 (E_RNA) where: Base-Base interactions energy: -133.480 where: short stacking energy: -44.916 Base-Backbone interact. energy: -0.507 local terms energy: -56.606938 where: bonds (distance) C4'-P energy: -11.085 bonds (distance) P-C4' energy: -10.110 flat angles C4'-P-C4' energy: -11.573 flat angles P-C4'-P energy: -8.905 tors. eta vs tors. theta energy: -14.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -177.859385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.859385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.859385 (E_RNA) where: Base-Base interactions energy: -118.511 where: short stacking energy: -48.528 Base-Backbone interact. energy: -0.089 local terms energy: -59.259446 where: bonds (distance) C4'-P energy: -12.704 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -12.385 flat angles P-C4'-P energy: -7.380 tors. eta vs tors. theta energy: -12.140 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: 4, replica: 1 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -173.210101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.210101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.210101 (E_RNA) where: Base-Base interactions energy: -120.727 where: short stacking energy: -39.457 Base-Backbone interact. energy: -0.159 local terms energy: -52.323492 where: bonds (distance) C4'-P energy: -10.195 bonds (distance) P-C4' energy: -12.764 flat angles C4'-P-C4' energy: -10.182 flat angles P-C4'-P energy: -7.374 tors. eta vs tors. theta energy: -11.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -174.794954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.794954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.794954 (E_RNA) where: Base-Base interactions energy: -118.493 where: short stacking energy: -46.182 Base-Backbone interact. energy: -0.358 local terms energy: -55.943932 where: bonds (distance) C4'-P energy: -12.857 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -8.450 flat angles P-C4'-P energy: -4.882 tors. eta vs tors. theta energy: -15.997 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: 2 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -171.363641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.363641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.363641 (E_RNA) where: Base-Base interactions energy: -115.212 where: short stacking energy: -46.685 Base-Backbone interact. energy: -0.540 local terms energy: -55.611018 where: bonds (distance) C4'-P energy: -7.765 bonds (distance) P-C4' energy: -12.824 flat angles C4'-P-C4' energy: -13.729 flat angles P-C4'-P energy: -7.617 tors. eta vs tors. theta energy: -13.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -167.858073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.858073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.858073 (E_RNA) where: Base-Base interactions energy: -111.002 where: short stacking energy: -44.252 Base-Backbone interact. energy: -0.329 local terms energy: -56.527162 where: bonds (distance) C4'-P energy: -13.396 bonds (distance) P-C4' energy: -13.165 flat angles C4'-P-C4' energy: -9.842 flat angles P-C4'-P energy: -7.928 tors. eta vs tors. theta energy: -12.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -179.688030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.688030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.688030 (E_RNA) where: Base-Base interactions energy: -116.056 where: short stacking energy: -48.579 Base-Backbone interact. energy: -0.554 local terms energy: -63.078008 where: bonds (distance) C4'-P energy: -11.069 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -11.645 flat angles P-C4'-P energy: -11.358 tors. eta vs tors. theta energy: -14.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -103.285602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.285602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.285602 (E_RNA) where: Base-Base interactions energy: -63.929 where: short stacking energy: -35.755 Base-Backbone interact. energy: -0.104 local terms energy: -39.252000 where: bonds (distance) C4'-P energy: -9.740 bonds (distance) P-C4' energy: -8.994 flat angles C4'-P-C4' energy: -10.776 flat angles P-C4'-P energy: -6.645 tors. eta vs tors. theta energy: -3.097 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: 440 Temperature: 1.350000 Total energy: -60.883693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.883693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.883693 (E_RNA) where: Base-Base interactions energy: -21.860 where: short stacking energy: -14.108 Base-Backbone interact. energy: -0.107 local terms energy: -38.916791 where: bonds (distance) C4'-P energy: -11.235 bonds (distance) P-C4' energy: -12.122 flat angles C4'-P-C4' energy: -9.075 flat angles P-C4'-P energy: -10.463 tors. eta vs tors. theta energy: 3.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -184.962031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.962031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.962031 (E_RNA) where: Base-Base interactions energy: -122.651 where: short stacking energy: -48.246 Base-Backbone interact. energy: -0.002 local terms energy: -62.308554 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -13.560 flat angles P-C4'-P energy: -6.386 tors. eta vs tors. theta energy: -14.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -183.397565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.397565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.397565 (E_RNA) where: Base-Base interactions energy: -125.966 where: short stacking energy: -47.202 Base-Backbone interact. energy: -0.254 local terms energy: -57.177706 where: bonds (distance) C4'-P energy: -10.837 bonds (distance) P-C4' energy: -12.996 flat angles C4'-P-C4' energy: -11.706 flat angles P-C4'-P energy: -7.071 tors. eta vs tors. theta energy: -14.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -187.320480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.320480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.320480 (E_RNA) where: Base-Base interactions energy: -128.375 where: short stacking energy: -51.503 Base-Backbone interact. energy: -0.656 local terms energy: -58.289212 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -10.537 flat angles C4'-P-C4' energy: -9.802 flat angles P-C4'-P energy: -9.755 tors. eta vs tors. theta energy: -15.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -180.644471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.644471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.644471 (E_RNA) where: Base-Base interactions energy: -121.667 where: short stacking energy: -51.721 Base-Backbone interact. energy: 2.602 local terms energy: -61.578871 where: bonds (distance) C4'-P energy: -11.471 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -12.577 flat angles P-C4'-P energy: -6.247 tors. eta vs tors. theta energy: -16.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -176.883921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.883921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.883921 (E_RNA) where: Base-Base interactions energy: -117.293 where: short stacking energy: -39.411 Base-Backbone interact. energy: -0.022 local terms energy: -59.569514 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -13.526 flat angles C4'-P-C4' energy: -12.545 flat angles P-C4'-P energy: -8.362 tors. eta vs tors. theta energy: -12.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -165.853523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.853523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.853523 (E_RNA) where: Base-Base interactions energy: -110.349 where: short stacking energy: -42.285 Base-Backbone interact. energy: -0.663 local terms energy: -54.842324 where: bonds (distance) C4'-P energy: -13.077 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -8.706 flat angles P-C4'-P energy: -9.166 tors. eta vs tors. theta energy: -10.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -159.949577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.949577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.949577 (E_RNA) where: Base-Base interactions energy: -108.598 where: short stacking energy: -37.843 Base-Backbone interact. energy: -1.061 local terms energy: -50.290674 where: bonds (distance) C4'-P energy: -10.373 bonds (distance) P-C4' energy: -12.951 flat angles C4'-P-C4' energy: -9.198 flat angles P-C4'-P energy: -2.830 tors. eta vs tors. theta energy: -14.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -170.296072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.296072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.296072 (E_RNA) where: Base-Base interactions energy: -110.032 where: short stacking energy: -41.748 Base-Backbone interact. energy: -0.733 local terms energy: -59.530919 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -12.990 flat angles C4'-P-C4' energy: -9.716 flat angles P-C4'-P energy: -9.623 tors. eta vs tors. theta energy: -12.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -75.283976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.283976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.283976 (E_RNA) where: Base-Base interactions energy: -42.755 where: short stacking energy: -25.875 Base-Backbone interact. energy: -0.586 local terms energy: -31.942854 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -7.482 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -3.232 tors. eta vs tors. theta energy: -2.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -72.125858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.125858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.125858 (E_RNA) where: Base-Base interactions energy: -20.323 where: short stacking energy: -17.623 Base-Backbone interact. energy: -0.107 local terms energy: -51.695915 where: bonds (distance) C4'-P energy: -12.104 bonds (distance) P-C4' energy: -15.137 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -4.287 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: 6 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -196.241484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.241484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.241484 (E_RNA) where: Base-Base interactions energy: -137.133 where: short stacking energy: -52.972 Base-Backbone interact. energy: -0.022 local terms energy: -59.086685 where: bonds (distance) C4'-P energy: -12.758 bonds (distance) P-C4' energy: -11.926 flat angles C4'-P-C4' energy: -13.067 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: -15.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -194.451318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.451318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.451318 (E_RNA) where: Base-Base interactions energy: -132.915 where: short stacking energy: -52.961 Base-Backbone interact. energy: -0.059 local terms energy: -61.477059 where: bonds (distance) C4'-P energy: -13.587 bonds (distance) P-C4' energy: -11.175 flat angles C4'-P-C4' energy: -12.824 flat angles P-C4'-P energy: -9.961 tors. eta vs tors. theta energy: -13.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -177.549827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.549827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.549827 (E_RNA) where: Base-Base interactions energy: -126.050 where: short stacking energy: -51.002 Base-Backbone interact. energy: 0.040 local terms energy: -51.540018 where: bonds (distance) C4'-P energy: -11.276 bonds (distance) P-C4' energy: -9.527 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -10.422 tors. eta vs tors. theta energy: -12.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -179.561156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.561156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.561156 (E_RNA) where: Base-Base interactions energy: -118.040 where: short stacking energy: -44.222 Base-Backbone interact. energy: -0.029 local terms energy: -61.492214 where: bonds (distance) C4'-P energy: -13.363 bonds (distance) P-C4' energy: -9.471 flat angles C4'-P-C4' energy: -15.413 flat angles P-C4'-P energy: -8.990 tors. eta vs tors. theta energy: -14.256 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: 442 Temperature: 1.100000 Total energy: -178.403423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.403423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.403423 (E_RNA) where: Base-Base interactions energy: -121.293 where: short stacking energy: -47.003 Base-Backbone interact. energy: -0.105 local terms energy: -57.005321 where: bonds (distance) C4'-P energy: -12.625 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -12.051 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -15.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -174.209819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.209819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.209819 (E_RNA) where: Base-Base interactions energy: -112.516 where: short stacking energy: -48.019 Base-Backbone interact. energy: -1.091 local terms energy: -60.602972 where: bonds (distance) C4'-P energy: -12.845 bonds (distance) P-C4' energy: -10.932 flat angles C4'-P-C4' energy: -11.630 flat angles P-C4'-P energy: -7.364 tors. eta vs tors. theta energy: -17.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -166.637339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.637339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.637339 (E_RNA) where: Base-Base interactions energy: -115.747 where: short stacking energy: -43.687 Base-Backbone interact. energy: 0.025 local terms energy: -50.915598 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -13.922 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -11.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -168.043372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.043372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.043372 (E_RNA) where: Base-Base interactions energy: -114.178 where: short stacking energy: -47.991 Base-Backbone interact. energy: -0.009 local terms energy: -53.856790 where: bonds (distance) C4'-P energy: -8.365 bonds (distance) P-C4' energy: -10.380 flat angles C4'-P-C4' energy: -12.789 flat angles P-C4'-P energy: -8.286 tors. eta vs tors. theta energy: -14.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -69.672562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.672562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.672562 (E_RNA) where: Base-Base interactions energy: -25.599 where: short stacking energy: -21.152 Base-Backbone interact. energy: -0.484 local terms energy: -43.589417 where: bonds (distance) C4'-P energy: -10.982 bonds (distance) P-C4' energy: -7.439 flat angles C4'-P-C4' energy: -12.644 flat angles P-C4'-P energy: -8.809 tors. eta vs tors. theta energy: -3.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -62.803382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.803382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.803382 (E_RNA) where: Base-Base interactions energy: -26.425 where: short stacking energy: -13.565 Base-Backbone interact. energy: -0.198 local terms energy: -36.180263 where: bonds (distance) C4'-P energy: -12.277 bonds (distance) P-C4' energy: -10.843 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -6.038 tors. eta vs tors. theta energy: -1.024 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: 6 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -187.835487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.835487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.835487 (E_RNA) where: Base-Base interactions energy: -125.512 where: short stacking energy: -53.905 Base-Backbone interact. energy: -0.488 local terms energy: -61.835508 where: bonds (distance) C4'-P energy: -12.708 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -12.053 flat angles P-C4'-P energy: -6.494 tors. eta vs tors. theta energy: -15.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -186.955426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.955426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.955426 (E_RNA) where: Base-Base interactions energy: -126.356 where: short stacking energy: -53.887 Base-Backbone interact. energy: -0.588 local terms energy: -60.012288 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -14.214 flat angles C4'-P-C4' energy: -11.418 flat angles P-C4'-P energy: -8.689 tors. eta vs tors. theta energy: -13.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -187.739200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.739200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.739200 (E_RNA) where: Base-Base interactions energy: -130.553 where: short stacking energy: -43.722 Base-Backbone interact. energy: -0.439 local terms energy: -56.746370 where: bonds (distance) C4'-P energy: -12.821 bonds (distance) P-C4' energy: -12.656 flat angles C4'-P-C4' energy: -9.415 flat angles P-C4'-P energy: -10.323 tors. eta vs tors. theta energy: -11.532 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: 4 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -177.111333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.111333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.111333 (E_RNA) where: Base-Base interactions energy: -120.131 where: short stacking energy: -44.309 Base-Backbone interact. energy: -0.000 local terms energy: -56.980116 where: bonds (distance) C4'-P energy: -11.695 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -9.548 flat angles P-C4'-P energy: -8.329 tors. eta vs tors. theta energy: -13.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -174.049075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.049075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.049075 (E_RNA) where: Base-Base interactions energy: -119.680 where: short stacking energy: -48.348 Base-Backbone interact. energy: -0.335 local terms energy: -54.034066 where: bonds (distance) C4'-P energy: -8.701 bonds (distance) P-C4' energy: -14.220 flat angles C4'-P-C4' energy: -9.686 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -16.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -174.353296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.353296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.353296 (E_RNA) where: Base-Base interactions energy: -132.200 where: short stacking energy: -51.881 Base-Backbone interact. energy: -0.001 local terms energy: -42.151625 where: bonds (distance) C4'-P energy: -7.837 bonds (distance) P-C4' energy: -9.319 flat angles C4'-P-C4' energy: -8.543 flat angles P-C4'-P energy: -2.330 tors. eta vs tors. theta energy: -14.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -156.221470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.221470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.221470 (E_RNA) where: Base-Base interactions energy: -100.507 where: short stacking energy: -42.050 Base-Backbone interact. energy: -0.081 local terms energy: -55.633176 where: bonds (distance) C4'-P energy: -13.640 bonds (distance) P-C4' energy: -11.473 flat angles C4'-P-C4' energy: -10.412 flat angles P-C4'-P energy: -10.405 tors. eta vs tors. theta energy: -9.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -171.783123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.783123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.783123 (E_RNA) where: Base-Base interactions energy: -114.128 where: short stacking energy: -42.312 Base-Backbone interact. energy: -0.750 local terms energy: -56.905126 where: bonds (distance) C4'-P energy: -11.579 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -10.066 flat angles P-C4'-P energy: -7.017 tors. eta vs tors. theta energy: -14.729 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: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -63.440941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.440941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.440941 (E_RNA) where: Base-Base interactions energy: -20.157 where: short stacking energy: -20.157 Base-Backbone interact. energy: -0.118 local terms energy: -43.165712 where: bonds (distance) C4'-P energy: -10.373 bonds (distance) P-C4' energy: -14.897 flat angles C4'-P-C4' energy: -11.968 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: 0.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -61.029489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.029489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.029489 (E_RNA) where: Base-Base interactions energy: -21.731 where: short stacking energy: -15.721 Base-Backbone interact. energy: -0.286 local terms energy: -39.013175 where: bonds (distance) C4'-P energy: -9.973 bonds (distance) P-C4' energy: -11.882 flat angles C4'-P-C4' energy: -8.102 flat angles P-C4'-P energy: -7.111 tors. eta vs tors. theta energy: -1.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -191.104185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.104185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.104185 (E_RNA) where: Base-Base interactions energy: -125.151 where: short stacking energy: -55.681 Base-Backbone interact. energy: -0.001 local terms energy: -65.952558 where: bonds (distance) C4'-P energy: -11.724 bonds (distance) P-C4' energy: -14.097 flat angles C4'-P-C4' energy: -15.047 flat angles P-C4'-P energy: -7.049 tors. eta vs tors. theta energy: -18.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -187.892879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.892879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.892879 (E_RNA) where: Base-Base interactions energy: -127.507 where: short stacking energy: -51.535 Base-Backbone interact. energy: -0.910 local terms energy: -59.475911 where: bonds (distance) C4'-P energy: -10.324 bonds (distance) P-C4' energy: -11.171 flat angles C4'-P-C4' energy: -12.901 flat angles P-C4'-P energy: -9.800 tors. eta vs tors. theta energy: -15.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -182.356987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.356987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.356987 (E_RNA) where: Base-Base interactions energy: -123.422 where: short stacking energy: -46.743 Base-Backbone interact. energy: -0.809 local terms energy: -58.125463 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -9.372 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -10.167 tors. eta vs tors. theta energy: -14.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -180.926122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.926122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.926122 (E_RNA) where: Base-Base interactions energy: -123.028 where: short stacking energy: -45.409 Base-Backbone interact. energy: -0.071 local terms energy: -57.827195 where: bonds (distance) C4'-P energy: -12.821 bonds (distance) P-C4' energy: -11.415 flat angles C4'-P-C4' energy: -13.569 flat angles P-C4'-P energy: -5.912 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: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -183.627901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.627901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.627901 (E_RNA) where: Base-Base interactions energy: -125.123 where: short stacking energy: -48.264 Base-Backbone interact. energy: -0.002 local terms energy: -58.502959 where: bonds (distance) C4'-P energy: -11.761 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -10.936 flat angles P-C4'-P energy: -8.943 tors. eta vs tors. theta energy: -14.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -176.012622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.012622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.012622 (E_RNA) where: Base-Base interactions energy: -122.114 where: short stacking energy: -49.276 Base-Backbone interact. energy: -0.297 local terms energy: -53.601596 where: bonds (distance) C4'-P energy: -12.583 bonds (distance) P-C4' energy: -10.016 flat angles C4'-P-C4' energy: -7.910 flat angles P-C4'-P energy: -7.635 tors. eta vs tors. theta energy: -15.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -168.290848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.290848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.290848 (E_RNA) where: Base-Base interactions energy: -115.745 where: short stacking energy: -44.969 Base-Backbone interact. energy: -0.001 local terms energy: -52.544778 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -12.242 flat angles C4'-P-C4' energy: -11.974 flat angles P-C4'-P energy: -7.631 tors. eta vs tors. theta energy: -13.163 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: 9 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -166.950661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.950661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.950661 (E_RNA) where: Base-Base interactions energy: -111.542 where: short stacking energy: -43.667 Base-Backbone interact. energy: -0.105 local terms energy: -55.303195 where: bonds (distance) C4'-P energy: -8.270 bonds (distance) P-C4' energy: -12.660 flat angles C4'-P-C4' energy: -14.505 flat angles P-C4'-P energy: -7.956 tors. eta vs tors. theta energy: -11.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -66.752472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.752472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.752472 (E_RNA) where: Base-Base interactions energy: -27.725 where: short stacking energy: -27.725 Base-Backbone interact. energy: 0.364 local terms energy: -39.391473 where: bonds (distance) C4'-P energy: -9.242 bonds (distance) P-C4' energy: -12.313 flat angles C4'-P-C4' energy: -11.822 flat angles P-C4'-P energy: -2.131 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -71.001578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.001578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.001578 (E_RNA) where: Base-Base interactions energy: -24.986 where: short stacking energy: -19.303 Base-Backbone interact. energy: 0.797 local terms energy: -46.812033 where: bonds (distance) C4'-P energy: -11.648 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -13.456 flat angles P-C4'-P energy: -8.439 tors. eta vs tors. theta energy: -0.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -190.978224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.978224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.978224 (E_RNA) where: Base-Base interactions energy: -131.701 where: short stacking energy: -52.070 Base-Backbone interact. energy: -0.069 local terms energy: -59.209094 where: bonds (distance) C4'-P energy: -11.496 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -11.815 flat angles P-C4'-P energy: -6.330 tors. eta vs tors. theta energy: -17.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -184.277516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.277516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.277516 (E_RNA) where: Base-Base interactions energy: -123.078 where: short stacking energy: -52.144 Base-Backbone interact. energy: -0.380 local terms energy: -60.819374 where: bonds (distance) C4'-P energy: -13.450 bonds (distance) P-C4' energy: -11.567 flat angles C4'-P-C4' energy: -12.125 flat angles P-C4'-P energy: -7.531 tors. eta vs tors. theta energy: -16.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -179.831773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.831773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.831773 (E_RNA) where: Base-Base interactions energy: -120.758 where: short stacking energy: -49.582 Base-Backbone interact. energy: 1.631 local terms energy: -60.704637 where: bonds (distance) C4'-P energy: -14.948 bonds (distance) P-C4' energy: -9.393 flat angles C4'-P-C4' energy: -11.935 flat angles P-C4'-P energy: -9.798 tors. eta vs tors. theta energy: -14.630 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: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -177.279919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.279919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.279919 (E_RNA) where: Base-Base interactions energy: -115.800 where: short stacking energy: -48.049 Base-Backbone interact. energy: -1.088 local terms energy: -60.391434 where: bonds (distance) C4'-P energy: -11.453 bonds (distance) P-C4' energy: -10.500 flat angles C4'-P-C4' energy: -13.669 flat angles P-C4'-P energy: -10.965 tors. eta vs tors. theta energy: -13.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -176.905651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.905651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.905651 (E_RNA) where: Base-Base interactions energy: -117.755 where: short stacking energy: -45.921 Base-Backbone interact. energy: -1.089 local terms energy: -58.062458 where: bonds (distance) C4'-P energy: -11.711 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -11.272 flat angles P-C4'-P energy: -8.154 tors. eta vs tors. theta energy: -12.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -176.309523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.309523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.309523 (E_RNA) where: Base-Base interactions energy: -121.770 where: short stacking energy: -51.733 Base-Backbone interact. energy: -0.644 local terms energy: -53.895647 where: bonds (distance) C4'-P energy: -11.281 bonds (distance) P-C4' energy: -9.133 flat angles C4'-P-C4' energy: -12.310 flat angles P-C4'-P energy: -7.878 tors. eta vs tors. theta energy: -13.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -166.730252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.730252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.730252 (E_RNA) where: Base-Base interactions energy: -116.471 where: short stacking energy: -46.797 Base-Backbone interact. energy: -0.225 local terms energy: -50.034028 where: bonds (distance) C4'-P energy: -9.654 bonds (distance) P-C4' energy: -6.218 flat angles C4'-P-C4' energy: -13.728 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -17.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -165.156100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.156100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.156100 (E_RNA) where: Base-Base interactions energy: -110.464 where: short stacking energy: -48.148 Base-Backbone interact. energy: -0.504 local terms energy: -54.188423 where: bonds (distance) C4'-P energy: -10.114 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -11.805 flat angles P-C4'-P energy: -9.118 tors. eta vs tors. theta energy: -14.881 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: 5 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -70.375997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.375997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.375997 (E_RNA) where: Base-Base interactions energy: -25.083 where: short stacking energy: -14.347 Base-Backbone interact. energy: -0.220 local terms energy: -45.073748 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -13.545 flat angles C4'-P-C4' energy: -10.522 flat angles P-C4'-P energy: -10.999 tors. eta vs tors. theta energy: -2.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -66.021431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.021431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.021431 (E_RNA) where: Base-Base interactions energy: -26.540 where: short stacking energy: -26.107 Base-Backbone interact. energy: -0.171 local terms energy: -39.309802 where: bonds (distance) C4'-P energy: -9.623 bonds (distance) P-C4' energy: -9.439 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -9.414 tors. eta vs tors. theta energy: -3.791 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: 1, replica: 4 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -187.102936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.102936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.102936 (E_RNA) where: Base-Base interactions energy: -130.031 where: short stacking energy: -57.786 Base-Backbone interact. energy: -0.059 local terms energy: -57.013391 where: bonds (distance) C4'-P energy: -9.605 bonds (distance) P-C4' energy: -8.735 flat angles C4'-P-C4' energy: -13.687 flat angles P-C4'-P energy: -7.923 tors. eta vs tors. theta energy: -17.064 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: 1 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -182.819207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.819207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.819207 (E_RNA) where: Base-Base interactions energy: -123.806 where: short stacking energy: -50.371 Base-Backbone interact. energy: -0.101 local terms energy: -58.912441 where: bonds (distance) C4'-P energy: -10.361 bonds (distance) P-C4' energy: -12.030 flat angles C4'-P-C4' energy: -13.861 flat angles P-C4'-P energy: -8.192 tors. eta vs tors. theta energy: -14.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -181.332406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.332406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.332406 (E_RNA) where: Base-Base interactions energy: -121.188 where: short stacking energy: -47.765 Base-Backbone interact. energy: -0.105 local terms energy: -60.039349 where: bonds (distance) C4'-P energy: -11.520 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -13.113 flat angles P-C4'-P energy: -7.923 tors. eta vs tors. theta energy: -14.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -180.148004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.148004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.148004 (E_RNA) where: Base-Base interactions energy: -123.437 where: short stacking energy: -49.287 Base-Backbone interact. energy: 1.365 local terms energy: -58.076133 where: bonds (distance) C4'-P energy: -11.618 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -11.964 flat angles P-C4'-P energy: -7.693 tors. eta vs tors. theta energy: -14.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -177.309684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.309684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.309684 (E_RNA) where: Base-Base interactions energy: -117.233 where: short stacking energy: -42.799 Base-Backbone interact. energy: -0.968 local terms energy: -59.108750 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -12.247 flat angles C4'-P-C4' energy: -10.896 flat angles P-C4'-P energy: -9.819 tors. eta vs tors. theta energy: -14.336 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: 6, replica: 3 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -183.426306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.426306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.426306 (E_RNA) where: Base-Base interactions energy: -116.153 where: short stacking energy: -43.080 Base-Backbone interact. energy: -0.907 local terms energy: -66.366004 where: bonds (distance) C4'-P energy: -13.726 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -13.280 flat angles P-C4'-P energy: -12.187 tors. eta vs tors. theta energy: -14.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -177.476699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.476699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.476699 (E_RNA) where: Base-Base interactions energy: -122.901 where: short stacking energy: -44.098 Base-Backbone interact. energy: -0.011 local terms energy: -54.564411 where: bonds (distance) C4'-P energy: -9.761 bonds (distance) P-C4' energy: -14.460 flat angles C4'-P-C4' energy: -11.358 flat angles P-C4'-P energy: -9.176 tors. eta vs tors. theta energy: -9.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -158.149020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.149020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.149020 (E_RNA) where: Base-Base interactions energy: -113.237 where: short stacking energy: -46.457 Base-Backbone interact. energy: 3.512 local terms energy: -48.423524 where: bonds (distance) C4'-P energy: -12.456 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -7.500 tors. eta vs tors. theta energy: -12.285 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: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -62.809832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.809832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.809832 (E_RNA) where: Base-Base interactions energy: -23.048 where: short stacking energy: -16.800 Base-Backbone interact. energy: -0.241 local terms energy: -39.520980 where: bonds (distance) C4'-P energy: -10.805 bonds (distance) P-C4' energy: -12.144 flat angles C4'-P-C4' energy: -12.878 flat angles P-C4'-P energy: -5.036 tors. eta vs tors. theta energy: 1.342 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: 5 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -66.748100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.748100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.748100 (E_RNA) where: Base-Base interactions energy: -27.272 where: short stacking energy: -21.487 Base-Backbone interact. energy: -0.101 local terms energy: -39.374820 where: bonds (distance) C4'-P energy: -10.361 bonds (distance) P-C4' energy: -13.280 flat angles C4'-P-C4' energy: -12.978 flat angles P-C4'-P energy: -1.923 tors. eta vs tors. theta energy: -0.833 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: 4 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -189.287886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.287886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.287886 (E_RNA) where: Base-Base interactions energy: -127.482 where: short stacking energy: -54.549 Base-Backbone interact. energy: -0.075 local terms energy: -61.731302 where: bonds (distance) C4'-P energy: -11.793 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -13.604 flat angles P-C4'-P energy: -7.885 tors. eta vs tors. theta energy: -16.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -181.006808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.006808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.006808 (E_RNA) where: Base-Base interactions energy: -125.746 where: short stacking energy: -49.059 Base-Backbone interact. energy: -0.006 local terms energy: -55.254591 where: bonds (distance) C4'-P energy: -10.333 bonds (distance) P-C4' energy: -11.661 flat angles C4'-P-C4' energy: -10.572 flat angles P-C4'-P energy: -6.572 tors. eta vs tors. theta energy: -16.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -181.262876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.262876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.262876 (E_RNA) where: Base-Base interactions energy: -121.689 where: short stacking energy: -52.068 Base-Backbone interact. energy: -0.037 local terms energy: -59.537742 where: bonds (distance) C4'-P energy: -11.400 bonds (distance) P-C4' energy: -10.828 flat angles C4'-P-C4' energy: -13.157 flat angles P-C4'-P energy: -7.520 tors. eta vs tors. theta energy: -16.634 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: 10 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -174.978413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.978413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.978413 (E_RNA) where: Base-Base interactions energy: -115.523 where: short stacking energy: -45.764 Base-Backbone interact. energy: -0.156 local terms energy: -59.299149 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -13.187 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -15.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -174.975019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.975019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.975019 (E_RNA) where: Base-Base interactions energy: -121.793 where: short stacking energy: -46.955 Base-Backbone interact. energy: -0.433 local terms energy: -52.749001 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -10.009 flat angles P-C4'-P energy: -8.675 tors. eta vs tors. theta energy: -9.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -177.639146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.639146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.639146 (E_RNA) where: Base-Base interactions energy: -120.770 where: short stacking energy: -50.964 Base-Backbone interact. energy: -0.220 local terms energy: -56.648949 where: bonds (distance) C4'-P energy: -9.074 bonds (distance) P-C4' energy: -10.798 flat angles C4'-P-C4' energy: -11.825 flat angles P-C4'-P energy: -9.741 tors. eta vs tors. theta energy: -15.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -170.987486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.987486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.987486 (E_RNA) where: Base-Base interactions energy: -119.617 where: short stacking energy: -48.717 Base-Backbone interact. energy: -0.014 local terms energy: -51.356697 where: bonds (distance) C4'-P energy: -11.853 bonds (distance) P-C4' energy: -9.923 flat angles C4'-P-C4' energy: -13.540 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -10.246 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: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -71.681575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.681575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.681575 (E_RNA) where: Base-Base interactions energy: -26.534 where: short stacking energy: -26.534 Base-Backbone interact. energy: -0.054 local terms energy: -45.094090 where: bonds (distance) C4'-P energy: -9.050 bonds (distance) P-C4' energy: -13.835 flat angles C4'-P-C4' energy: -10.364 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -8.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -157.751818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.751818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.751818 (E_RNA) where: Base-Base interactions energy: -103.656 where: short stacking energy: -44.956 Base-Backbone interact. energy: -0.016 local terms energy: -54.079763 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -10.932 flat angles C4'-P-C4' energy: -14.111 flat angles P-C4'-P energy: -3.521 tors. eta vs tors. theta energy: -13.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -81.027047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.027047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.027047 (E_RNA) where: Base-Base interactions energy: -45.833 where: short stacking energy: -17.692 Base-Backbone interact. energy: 4.103 local terms energy: -39.297091 where: bonds (distance) C4'-P energy: -9.699 bonds (distance) P-C4' energy: -9.941 flat angles C4'-P-C4' energy: -11.575 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: -1.774 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: 1, replica: 4 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -192.817487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.817487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.817487 (E_RNA) where: Base-Base interactions energy: -133.022 where: short stacking energy: -49.517 Base-Backbone interact. energy: -0.440 local terms energy: -59.355265 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -11.972 flat angles C4'-P-C4' energy: -9.098 flat angles P-C4'-P energy: -9.700 tors. eta vs tors. theta energy: -16.943 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: 2 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -184.273951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.273951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.273951 (E_RNA) where: Base-Base interactions energy: -128.172 where: short stacking energy: -44.247 Base-Backbone interact. energy: -0.538 local terms energy: -55.564302 where: bonds (distance) C4'-P energy: -7.802 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -11.061 flat angles P-C4'-P energy: -10.297 tors. eta vs tors. theta energy: -14.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -185.215683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.215683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.215683 (E_RNA) where: Base-Base interactions energy: -121.143 where: short stacking energy: -48.486 Base-Backbone interact. energy: -0.095 local terms energy: -63.977996 where: bonds (distance) C4'-P energy: -11.513 bonds (distance) P-C4' energy: -15.281 flat angles C4'-P-C4' energy: -11.722 flat angles P-C4'-P energy: -10.714 tors. eta vs tors. theta energy: -14.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -183.080696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.080696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.080696 (E_RNA) where: Base-Base interactions energy: -119.123 where: short stacking energy: -48.210 Base-Backbone interact. energy: -0.001 local terms energy: -63.956317 where: bonds (distance) C4'-P energy: -12.990 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -11.402 flat angles P-C4'-P energy: -9.996 tors. eta vs tors. theta energy: -15.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -177.550165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.550165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.550165 (E_RNA) where: Base-Base interactions energy: -117.398 where: short stacking energy: -37.439 Base-Backbone interact. energy: -0.008 local terms energy: -60.144597 where: bonds (distance) C4'-P energy: -13.453 bonds (distance) P-C4' energy: -12.193 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -9.295 tors. eta vs tors. theta energy: -12.721 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: 6, replica: 6 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -168.599375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.599375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.599375 (E_RNA) where: Base-Base interactions energy: -109.866 where: short stacking energy: -41.308 Base-Backbone interact. energy: 0.165 local terms energy: -58.898662 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -12.792 flat angles C4'-P-C4' energy: -14.578 flat angles P-C4'-P energy: -5.471 tors. eta vs tors. theta energy: -12.774 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: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -168.724982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.724982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.724982 (E_RNA) where: Base-Base interactions energy: -111.687 where: short stacking energy: -47.674 Base-Backbone interact. energy: -0.000 local terms energy: -57.037463 where: bonds (distance) C4'-P energy: -10.441 bonds (distance) P-C4' energy: -14.872 flat angles C4'-P-C4' energy: -11.638 flat angles P-C4'-P energy: -6.995 tors. eta vs tors. theta energy: -13.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -73.395175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.395175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.395175 (E_RNA) where: Base-Base interactions energy: -29.119 where: short stacking energy: -23.517 Base-Backbone interact. energy: -0.094 local terms energy: -44.181549 where: bonds (distance) C4'-P energy: -13.488 bonds (distance) P-C4' energy: -13.520 flat angles C4'-P-C4' energy: -10.677 flat angles P-C4'-P energy: -4.355 tors. eta vs tors. theta energy: -2.143 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: 8 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -153.596606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.596606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.596606 (E_RNA) where: Base-Base interactions energy: -102.188 where: short stacking energy: -43.915 Base-Backbone interact. energy: -0.057 local terms energy: -51.351674 where: bonds (distance) C4'-P energy: -10.068 bonds (distance) P-C4' energy: -12.070 flat angles C4'-P-C4' energy: -10.210 flat angles P-C4'-P energy: -8.895 tors. eta vs tors. theta energy: -10.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -65.149629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.149629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.149629 (E_RNA) where: Base-Base interactions energy: -30.389 where: short stacking energy: -3.833 Base-Backbone interact. energy: 0.001 local terms energy: -34.761700 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: 4.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -188.132557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.132557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.132557 (E_RNA) where: Base-Base interactions energy: -129.146 where: short stacking energy: -54.160 Base-Backbone interact. energy: -1.059 local terms energy: -57.927575 where: bonds (distance) C4'-P energy: -10.862 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -12.419 flat angles P-C4'-P energy: -5.368 tors. eta vs tors. theta energy: -16.064 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: 2 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -184.556577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.556577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.556577 (E_RNA) where: Base-Base interactions energy: -130.244 where: short stacking energy: -47.766 Base-Backbone interact. energy: -0.749 local terms energy: -53.562805 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -11.065 flat angles C4'-P-C4' energy: -13.127 flat angles P-C4'-P energy: -9.441 tors. eta vs tors. theta energy: -8.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -181.318312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.318312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.318312 (E_RNA) where: Base-Base interactions energy: -116.496 where: short stacking energy: -46.704 Base-Backbone interact. energy: -0.912 local terms energy: -63.910022 where: bonds (distance) C4'-P energy: -12.451 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -14.158 flat angles P-C4'-P energy: -9.556 tors. eta vs tors. theta energy: -14.015 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: 449 Temperature: 1.050000 Total energy: -181.625034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.625034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.625034 (E_RNA) where: Base-Base interactions energy: -119.728 where: short stacking energy: -51.295 Base-Backbone interact. energy: -0.611 local terms energy: -61.286100 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -11.707 flat angles P-C4'-P energy: -6.129 tors. eta vs tors. theta energy: -16.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -176.191113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.191113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.191113 (E_RNA) where: Base-Base interactions energy: -117.479 where: short stacking energy: -52.795 Base-Backbone interact. energy: -0.242 local terms energy: -58.469855 where: bonds (distance) C4'-P energy: -10.743 bonds (distance) P-C4' energy: -11.927 flat angles C4'-P-C4' energy: -14.533 flat angles P-C4'-P energy: -6.712 tors. eta vs tors. theta energy: -14.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -174.978364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.978364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.978364 (E_RNA) where: Base-Base interactions energy: -120.003 where: short stacking energy: -42.065 Base-Backbone interact. energy: -0.158 local terms energy: -54.817791 where: bonds (distance) C4'-P energy: -11.499 bonds (distance) P-C4' energy: -10.313 flat angles C4'-P-C4' energy: -11.007 flat angles P-C4'-P energy: -7.754 tors. eta vs tors. theta energy: -14.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -176.288569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.288569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.288569 (E_RNA) where: Base-Base interactions energy: -123.009 where: short stacking energy: -45.031 Base-Backbone interact. energy: -0.000 local terms energy: -53.279243 where: bonds (distance) C4'-P energy: -12.832 bonds (distance) P-C4' energy: -9.242 flat angles C4'-P-C4' energy: -12.292 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -15.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -173.357050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.357050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.357050 (E_RNA) where: Base-Base interactions energy: -116.181 where: short stacking energy: -52.244 Base-Backbone interact. energy: -0.081 local terms energy: -57.095943 where: bonds (distance) C4'-P energy: -10.820 bonds (distance) P-C4' energy: -13.398 flat angles C4'-P-C4' energy: -10.004 flat angles P-C4'-P energy: -6.306 tors. eta vs tors. theta energy: -16.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -60.756720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.756720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.756720 (E_RNA) where: Base-Base interactions energy: -22.865 where: short stacking energy: -21.532 Base-Backbone interact. energy: -0.218 local terms energy: -37.673551 where: bonds (distance) C4'-P energy: -12.410 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -12.757 flat angles P-C4'-P energy: 1.954 tors. eta vs tors. theta energy: -0.963 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: 5 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -64.510357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.510357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.510357 (E_RNA) where: Base-Base interactions energy: -37.275 where: short stacking energy: -13.944 Base-Backbone interact. energy: 0.056 local terms energy: -27.291332 where: bonds (distance) C4'-P energy: -6.350 bonds (distance) P-C4' energy: -10.031 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: -6.964 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: 2 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -184.393904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.393904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.393904 (E_RNA) where: Base-Base interactions energy: -124.671 where: short stacking energy: -54.748 Base-Backbone interact. energy: -0.994 local terms energy: -58.728718 where: bonds (distance) C4'-P energy: -10.766 bonds (distance) P-C4' energy: -14.287 flat angles C4'-P-C4' energy: -11.981 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: -12.871 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: 4 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -184.609295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.609295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.609295 (E_RNA) where: Base-Base interactions energy: -120.248 where: short stacking energy: -47.557 Base-Backbone interact. energy: -0.057 local terms energy: -64.304278 where: bonds (distance) C4'-P energy: -10.988 bonds (distance) P-C4' energy: -13.969 flat angles C4'-P-C4' energy: -15.654 flat angles P-C4'-P energy: -9.833 tors. eta vs tors. theta energy: -13.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -175.768231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.768231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.768231 (E_RNA) where: Base-Base interactions energy: -120.073 where: short stacking energy: -49.512 Base-Backbone interact. energy: -0.140 local terms energy: -55.555632 where: bonds (distance) C4'-P energy: -11.789 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -12.491 flat angles P-C4'-P energy: -8.644 tors. eta vs tors. theta energy: -13.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -181.009334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.009334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.009334 (E_RNA) where: Base-Base interactions energy: -120.657 where: short stacking energy: -41.973 Base-Backbone interact. energy: -0.002 local terms energy: -60.350206 where: bonds (distance) C4'-P energy: -11.876 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -10.929 flat angles P-C4'-P energy: -10.442 tors. eta vs tors. theta energy: -13.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -172.216774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.216774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.216774 (E_RNA) where: Base-Base interactions energy: -113.830 where: short stacking energy: -42.617 Base-Backbone interact. energy: 1.107 local terms energy: -59.494002 where: bonds (distance) C4'-P energy: -11.599 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -14.237 flat angles P-C4'-P energy: -8.124 tors. eta vs tors. theta energy: -11.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -170.805544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.805544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.805544 (E_RNA) where: Base-Base interactions energy: -113.345 where: short stacking energy: -50.332 Base-Backbone interact. energy: -0.083 local terms energy: -57.378130 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -12.243 flat angles C4'-P-C4' energy: -11.010 flat angles P-C4'-P energy: -7.938 tors. eta vs tors. theta energy: -12.514 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: 8 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -159.430573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.430573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.430573 (E_RNA) where: Base-Base interactions energy: -104.745 where: short stacking energy: -41.202 Base-Backbone interact. energy: -0.622 local terms energy: -54.063340 where: bonds (distance) C4'-P energy: -12.439 bonds (distance) P-C4' energy: -12.229 flat angles C4'-P-C4' energy: -12.268 flat angles P-C4'-P energy: -6.867 tors. eta vs tors. theta energy: -10.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -167.779827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.779827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.779827 (E_RNA) where: Base-Base interactions energy: -118.711 where: short stacking energy: -53.833 Base-Backbone interact. energy: -0.871 local terms energy: -48.197650 where: bonds (distance) C4'-P energy: -11.463 bonds (distance) P-C4' energy: -6.834 flat angles C4'-P-C4' energy: -9.404 flat angles P-C4'-P energy: -8.455 tors. eta vs tors. theta energy: -12.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -70.901100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.901100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.901100 (E_RNA) where: Base-Base interactions energy: -33.155 where: short stacking energy: -18.935 Base-Backbone interact. energy: -0.552 local terms energy: -37.193937 where: bonds (distance) C4'-P energy: -9.801 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -7.983 flat angles P-C4'-P energy: -6.445 tors. eta vs tors. theta energy: -2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -59.713607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.713607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.713607 (E_RNA) where: Base-Base interactions energy: -13.452 where: short stacking energy: -13.652 Base-Backbone interact. energy: -0.329 local terms energy: -45.932525 where: bonds (distance) C4'-P energy: -12.138 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -9.969 flat angles P-C4'-P energy: -8.139 tors. eta vs tors. theta energy: -1.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -188.535384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.535384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.535384 (E_RNA) where: Base-Base interactions energy: -125.629 where: short stacking energy: -56.087 Base-Backbone interact. energy: -0.288 local terms energy: -62.618062 where: bonds (distance) C4'-P energy: -12.634 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -13.356 flat angles P-C4'-P energy: -7.109 tors. eta vs tors. theta energy: -16.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -185.035018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.035018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.035018 (E_RNA) where: Base-Base interactions energy: -125.555 where: short stacking energy: -52.492 Base-Backbone interact. energy: -0.128 local terms energy: -59.352290 where: bonds (distance) C4'-P energy: -10.451 bonds (distance) P-C4' energy: -13.467 flat angles C4'-P-C4' energy: -12.263 flat angles P-C4'-P energy: -7.196 tors. eta vs tors. theta energy: -15.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -185.304327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.304327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.304327 (E_RNA) where: Base-Base interactions energy: -125.505 where: short stacking energy: -52.599 Base-Backbone interact. energy: -0.995 local terms energy: -58.803946 where: bonds (distance) C4'-P energy: -10.390 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -13.236 flat angles P-C4'-P energy: -5.487 tors. eta vs tors. theta energy: -15.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -179.699858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.699858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.699858 (E_RNA) where: Base-Base interactions energy: -121.858 where: short stacking energy: -47.363 Base-Backbone interact. energy: 1.656 local terms energy: -59.497699 where: bonds (distance) C4'-P energy: -9.971 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -11.486 flat angles P-C4'-P energy: -9.840 tors. eta vs tors. theta energy: -13.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -175.682667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.682667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.682667 (E_RNA) where: Base-Base interactions energy: -120.637 where: short stacking energy: -52.074 Base-Backbone interact. energy: -0.000 local terms energy: -55.045768 where: bonds (distance) C4'-P energy: -11.437 bonds (distance) P-C4' energy: -10.126 flat angles C4'-P-C4' energy: -11.449 flat angles P-C4'-P energy: -7.511 tors. eta vs tors. theta energy: -14.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -171.226562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.226562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.226562 (E_RNA) where: Base-Base interactions energy: -114.349 where: short stacking energy: -39.319 Base-Backbone interact. energy: -0.136 local terms energy: -56.740676 where: bonds (distance) C4'-P energy: -11.445 bonds (distance) P-C4' energy: -11.869 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -6.357 tors. eta vs tors. theta energy: -15.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -169.127051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.127051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.127051 (E_RNA) where: Base-Base interactions energy: -112.567 where: short stacking energy: -42.091 Base-Backbone interact. energy: -1.361 local terms energy: -55.198424 where: bonds (distance) C4'-P energy: -10.755 bonds (distance) P-C4' energy: -11.693 flat angles C4'-P-C4' energy: -12.741 flat angles P-C4'-P energy: -5.935 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: 8, replica: 6 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -156.563530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.563530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.563530 (E_RNA) where: Base-Base interactions energy: -103.330 where: short stacking energy: -45.357 Base-Backbone interact. energy: -0.026 local terms energy: -53.207651 where: bonds (distance) C4'-P energy: -14.037 bonds (distance) P-C4' energy: -11.416 flat angles C4'-P-C4' energy: -11.057 flat angles P-C4'-P energy: -6.331 tors. eta vs tors. theta energy: -10.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -103.457465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.457465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.457465 (E_RNA) where: Base-Base interactions energy: -59.284 where: short stacking energy: -24.879 Base-Backbone interact. energy: 1.186 local terms energy: -45.359165 where: bonds (distance) C4'-P energy: -11.063 bonds (distance) P-C4' energy: -12.253 flat angles C4'-P-C4' energy: -9.147 flat angles P-C4'-P energy: -8.682 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -64.382831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.382831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.382831 (E_RNA) where: Base-Base interactions energy: -20.509 where: short stacking energy: -20.037 Base-Backbone interact. energy: -0.120 local terms energy: -43.753015 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -12.497 flat angles C4'-P-C4' energy: -11.238 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -188.607395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.607395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.607395 (E_RNA) where: Base-Base interactions energy: -124.279 where: short stacking energy: -49.756 Base-Backbone interact. energy: -0.913 local terms energy: -63.415357 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -11.992 flat angles P-C4'-P energy: -13.438 tors. eta vs tors. theta energy: -12.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -179.975504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.975504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.975504 (E_RNA) where: Base-Base interactions energy: -123.222 where: short stacking energy: -52.507 Base-Backbone interact. energy: -0.001 local terms energy: -56.752421 where: bonds (distance) C4'-P energy: -13.666 bonds (distance) P-C4' energy: -10.668 flat angles C4'-P-C4' energy: -13.573 flat angles P-C4'-P energy: -1.727 tors. eta vs tors. theta energy: -17.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -189.114046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.114046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.114046 (E_RNA) where: Base-Base interactions energy: -122.849 where: short stacking energy: -53.679 Base-Backbone interact. energy: -0.002 local terms energy: -66.262928 where: bonds (distance) C4'-P energy: -13.264 bonds (distance) P-C4' energy: -15.147 flat angles C4'-P-C4' energy: -12.723 flat angles P-C4'-P energy: -9.859 tors. eta vs tors. theta energy: -15.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -180.418973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.418973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.418973 (E_RNA) where: Base-Base interactions energy: -123.801 where: short stacking energy: -51.237 Base-Backbone interact. energy: -0.098 local terms energy: -56.519481 where: bonds (distance) C4'-P energy: -10.551 bonds (distance) P-C4' energy: -11.424 flat angles C4'-P-C4' energy: -14.710 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -15.203 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: 452 Temperature: 1.100000 Total energy: -177.961391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.961391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.961391 (E_RNA) where: Base-Base interactions energy: -113.770 where: short stacking energy: -47.951 Base-Backbone interact. energy: 0.639 local terms energy: -64.830680 where: bonds (distance) C4'-P energy: -11.686 bonds (distance) P-C4' energy: -13.186 flat angles C4'-P-C4' energy: -14.804 flat angles P-C4'-P energy: -12.192 tors. eta vs tors. theta energy: -12.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -175.764424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.764424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.764424 (E_RNA) where: Base-Base interactions energy: -121.019 where: short stacking energy: -46.878 Base-Backbone interact. energy: -0.004 local terms energy: -54.741041 where: bonds (distance) C4'-P energy: -9.790 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -10.979 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -14.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -175.421326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.421326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.421326 (E_RNA) where: Base-Base interactions energy: -121.270 where: short stacking energy: -46.333 Base-Backbone interact. energy: -0.149 local terms energy: -54.002110 where: bonds (distance) C4'-P energy: -8.780 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -10.069 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -14.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -168.340763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.340763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.340763 (E_RNA) where: Base-Base interactions energy: -113.169 where: short stacking energy: -42.557 Base-Backbone interact. energy: -0.002 local terms energy: -55.169335 where: bonds (distance) C4'-P energy: -11.031 bonds (distance) P-C4' energy: -10.149 flat angles C4'-P-C4' energy: -12.377 flat angles P-C4'-P energy: -8.658 tors. eta vs tors. theta energy: -12.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -95.962574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.962574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.962574 (E_RNA) where: Base-Base interactions energy: -52.660 where: short stacking energy: -17.747 Base-Backbone interact. energy: -0.090 local terms energy: -43.212673 where: bonds (distance) C4'-P energy: -11.118 bonds (distance) P-C4' energy: -12.956 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -5.588 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: 10, replica: 7 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -65.885595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.885595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.885595 (E_RNA) where: Base-Base interactions energy: -25.512 where: short stacking energy: -25.512 Base-Backbone interact. energy: -0.001 local terms energy: -40.372095 where: bonds (distance) C4'-P energy: -11.792 bonds (distance) P-C4' energy: -9.968 flat angles C4'-P-C4' energy: -6.720 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -6.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -186.977588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.977588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.977588 (E_RNA) where: Base-Base interactions energy: -122.049 where: short stacking energy: -50.338 Base-Backbone interact. energy: -1.054 local terms energy: -63.874465 where: bonds (distance) C4'-P energy: -10.497 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -12.686 flat angles P-C4'-P energy: -10.156 tors. eta vs tors. theta energy: -15.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -191.195877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.195877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.195877 (E_RNA) where: Base-Base interactions energy: -128.230 where: short stacking energy: -51.876 Base-Backbone interact. energy: -0.002 local terms energy: -62.964043 where: bonds (distance) C4'-P energy: -12.071 bonds (distance) P-C4' energy: -14.575 flat angles C4'-P-C4' energy: -13.608 flat angles P-C4'-P energy: -9.730 tors. eta vs tors. theta energy: -12.980 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: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -179.619024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.619024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.619024 (E_RNA) where: Base-Base interactions energy: -123.792 where: short stacking energy: -45.404 Base-Backbone interact. energy: 1.928 local terms energy: -57.755398 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -11.734 flat angles P-C4'-P energy: -6.407 tors. eta vs tors. theta energy: -13.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -172.510884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.510884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.510884 (E_RNA) where: Base-Base interactions energy: -109.500 where: short stacking energy: -53.357 Base-Backbone interact. energy: -0.407 local terms energy: -62.604431 where: bonds (distance) C4'-P energy: -12.260 bonds (distance) P-C4' energy: -13.230 flat angles C4'-P-C4' energy: -12.705 flat angles P-C4'-P energy: -11.628 tors. eta vs tors. theta energy: -12.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -178.500828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.500828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.500828 (E_RNA) where: Base-Base interactions energy: -116.448 where: short stacking energy: -48.629 Base-Backbone interact. energy: -0.361 local terms energy: -61.692539 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -12.468 flat angles C4'-P-C4' energy: -13.542 flat angles P-C4'-P energy: -9.527 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: 6, replica: 6 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -176.719459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.719459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.719459 (E_RNA) where: Base-Base interactions energy: -119.233 where: short stacking energy: -48.943 Base-Backbone interact. energy: -0.375 local terms energy: -57.111284 where: bonds (distance) C4'-P energy: -12.439 bonds (distance) P-C4' energy: -12.552 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -14.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -169.956690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.956690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.956690 (E_RNA) where: Base-Base interactions energy: -113.106 where: short stacking energy: -45.476 Base-Backbone interact. energy: -0.014 local terms energy: -56.836495 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -12.003 flat angles P-C4'-P energy: -8.847 tors. eta vs tors. theta energy: -14.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -168.806388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.806388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.806388 (E_RNA) where: Base-Base interactions energy: -116.673 where: short stacking energy: -47.986 Base-Backbone interact. energy: -0.104 local terms energy: -52.029350 where: bonds (distance) C4'-P energy: -9.111 bonds (distance) P-C4' energy: -8.595 flat angles C4'-P-C4' energy: -13.637 flat angles P-C4'-P energy: -6.671 tors. eta vs tors. theta energy: -14.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -73.548405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.548405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.548405 (E_RNA) where: Base-Base interactions energy: -35.421 where: short stacking energy: -20.593 Base-Backbone interact. energy: -0.005 local terms energy: -38.121650 where: bonds (distance) C4'-P energy: -10.758 bonds (distance) P-C4' energy: -11.062 flat angles C4'-P-C4' energy: -9.532 flat angles P-C4'-P energy: -1.770 tors. eta vs tors. theta energy: -4.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -69.105831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.105831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.105831 (E_RNA) where: Base-Base interactions energy: -30.711 where: short stacking energy: -24.802 Base-Backbone interact. energy: 0.802 local terms energy: -39.197484 where: bonds (distance) C4'-P energy: -10.685 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -9.431 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -188.940891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.940891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.940891 (E_RNA) where: Base-Base interactions energy: -129.480 where: short stacking energy: -54.428 Base-Backbone interact. energy: -0.014 local terms energy: -59.447091 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -11.585 flat angles C4'-P-C4' energy: -14.349 flat angles P-C4'-P energy: -8.377 tors. eta vs tors. theta energy: -12.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -191.978280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.978280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.978280 (E_RNA) where: Base-Base interactions energy: -126.447 where: short stacking energy: -46.116 Base-Backbone interact. energy: -0.761 local terms energy: -64.770233 where: bonds (distance) C4'-P energy: -13.177 bonds (distance) P-C4' energy: -15.584 flat angles C4'-P-C4' energy: -10.841 flat angles P-C4'-P energy: -11.167 tors. eta vs tors. theta energy: -14.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -180.017697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.017697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.017697 (E_RNA) where: Base-Base interactions energy: -118.458 where: short stacking energy: -47.264 Base-Backbone interact. energy: -0.019 local terms energy: -61.541083 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -14.328 flat angles C4'-P-C4' energy: -13.495 flat angles P-C4'-P energy: -8.425 tors. eta vs tors. theta energy: -11.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -174.915417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.915417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.915417 (E_RNA) where: Base-Base interactions energy: -117.211 where: short stacking energy: -47.722 Base-Backbone interact. energy: -0.005 local terms energy: -57.699301 where: bonds (distance) C4'-P energy: -12.418 bonds (distance) P-C4' energy: -7.152 flat angles C4'-P-C4' energy: -14.098 flat angles P-C4'-P energy: -9.613 tors. eta vs tors. theta energy: -14.419 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: 6 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -176.454595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.454595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.454595 (E_RNA) where: Base-Base interactions energy: -112.004 where: short stacking energy: -46.627 Base-Backbone interact. energy: -0.907 local terms energy: -63.543859 where: bonds (distance) C4'-P energy: -12.991 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -13.066 flat angles P-C4'-P energy: -8.893 tors. eta vs tors. theta energy: -13.966 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: 6, replica: 1 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -175.418583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.418583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.418583 (E_RNA) where: Base-Base interactions energy: -113.395 where: short stacking energy: -46.106 Base-Backbone interact. energy: -0.387 local terms energy: -61.636580 where: bonds (distance) C4'-P energy: -12.791 bonds (distance) P-C4' energy: -14.062 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -12.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -176.771127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.771127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.771127 (E_RNA) where: Base-Base interactions energy: -116.042 where: short stacking energy: -44.971 Base-Backbone interact. energy: 0.952 local terms energy: -61.681380 where: bonds (distance) C4'-P energy: -13.123 bonds (distance) P-C4' energy: -12.293 flat angles C4'-P-C4' energy: -12.514 flat angles P-C4'-P energy: -9.739 tors. eta vs tors. theta energy: -14.012 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: 8, replica: 8 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -171.925493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.925493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.925493 (E_RNA) where: Base-Base interactions energy: -117.538 where: short stacking energy: -48.094 Base-Backbone interact. energy: -0.175 local terms energy: -54.212834 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -14.217 flat angles C4'-P-C4' energy: -12.825 flat angles P-C4'-P energy: -6.323 tors. eta vs tors. theta energy: -13.127 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: 9, replica: 5 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -81.857451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.857451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.857451 (E_RNA) where: Base-Base interactions energy: -41.083 where: short stacking energy: -24.479 Base-Backbone interact. energy: -0.210 local terms energy: -40.564352 where: bonds (distance) C4'-P energy: -12.022 bonds (distance) P-C4' energy: -11.610 flat angles C4'-P-C4' energy: -9.800 flat angles P-C4'-P energy: -1.471 tors. eta vs tors. theta energy: -5.662 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: 454 Temperature: 1.350000 Total energy: -71.146183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.146183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.146183 (E_RNA) where: Base-Base interactions energy: -28.163 where: short stacking energy: -18.181 Base-Backbone interact. energy: -0.008 local terms energy: -42.975512 where: bonds (distance) C4'-P energy: -7.521 bonds (distance) P-C4' energy: -8.645 flat angles C4'-P-C4' energy: -12.261 flat angles P-C4'-P energy: -7.910 tors. eta vs tors. theta energy: -6.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -186.433435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.433435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.433435 (E_RNA) where: Base-Base interactions energy: -131.022 where: short stacking energy: -49.949 Base-Backbone interact. energy: -0.099 local terms energy: -55.313290 where: bonds (distance) C4'-P energy: -13.041 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -9.505 flat angles P-C4'-P energy: -7.157 tors. eta vs tors. theta energy: -13.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -186.389957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.389957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.389957 (E_RNA) where: Base-Base interactions energy: -127.087 where: short stacking energy: -46.898 Base-Backbone interact. energy: -0.034 local terms energy: -59.268996 where: bonds (distance) C4'-P energy: -11.910 bonds (distance) P-C4' energy: -14.340 flat angles C4'-P-C4' energy: -14.339 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -14.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -183.248332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.248332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.248332 (E_RNA) where: Base-Base interactions energy: -129.479 where: short stacking energy: -52.977 Base-Backbone interact. energy: -0.023 local terms energy: -53.746387 where: bonds (distance) C4'-P energy: -8.195 bonds (distance) P-C4' energy: -12.654 flat angles C4'-P-C4' energy: -13.704 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -13.672 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: 6 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -176.959650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.959650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.959650 (E_RNA) where: Base-Base interactions energy: -114.956 where: short stacking energy: -47.246 Base-Backbone interact. energy: -0.002 local terms energy: -62.002262 where: bonds (distance) C4'-P energy: -9.270 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -12.646 flat angles P-C4'-P energy: -9.027 tors. eta vs tors. theta energy: -15.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -167.364563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.364563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.364563 (E_RNA) where: Base-Base interactions energy: -126.870 where: short stacking energy: -48.291 Base-Backbone interact. energy: 1.019 local terms energy: -41.514423 where: bonds (distance) C4'-P energy: -9.620 bonds (distance) P-C4' energy: -6.065 flat angles C4'-P-C4' energy: -13.320 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: -9.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -178.717742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.717742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.717742 (E_RNA) where: Base-Base interactions energy: -119.609 where: short stacking energy: -42.809 Base-Backbone interact. energy: -0.252 local terms energy: -58.856154 where: bonds (distance) C4'-P energy: -12.067 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -11.913 flat angles P-C4'-P energy: -6.999 tors. eta vs tors. theta energy: -13.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -172.364188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.364188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.364188 (E_RNA) where: Base-Base interactions energy: -119.222 where: short stacking energy: -48.386 Base-Backbone interact. energy: -0.001 local terms energy: -53.141467 where: bonds (distance) C4'-P energy: -12.013 bonds (distance) P-C4' energy: -6.493 flat angles C4'-P-C4' energy: -11.904 flat angles P-C4'-P energy: -7.650 tors. eta vs tors. theta energy: -15.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -159.169016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.169016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.169016 (E_RNA) where: Base-Base interactions energy: -105.664 where: short stacking energy: -42.389 Base-Backbone interact. energy: -0.123 local terms energy: -53.381851 where: bonds (distance) C4'-P energy: -10.187 bonds (distance) P-C4' energy: -12.985 flat angles C4'-P-C4' energy: -10.191 flat angles P-C4'-P energy: -8.109 tors. eta vs tors. theta energy: -11.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -71.310518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.310518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.310518 (E_RNA) where: Base-Base interactions energy: -29.383 where: short stacking energy: -18.947 Base-Backbone interact. energy: -0.065 local terms energy: -41.863002 where: bonds (distance) C4'-P energy: -8.708 bonds (distance) P-C4' energy: -12.208 flat angles C4'-P-C4' energy: -11.931 flat angles P-C4'-P energy: -6.760 tors. eta vs tors. theta energy: -2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -61.688926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.688926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.688926 (E_RNA) where: Base-Base interactions energy: -20.922 where: short stacking energy: -19.685 Base-Backbone interact. energy: -0.001 local terms energy: -40.766327 where: bonds (distance) C4'-P energy: -10.043 bonds (distance) P-C4' energy: -11.684 flat angles C4'-P-C4' energy: -10.185 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: -0.850 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: 10 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -194.441727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.441727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.441727 (E_RNA) where: Base-Base interactions energy: -130.567 where: short stacking energy: -54.961 Base-Backbone interact. energy: -0.197 local terms energy: -63.677939 where: bonds (distance) C4'-P energy: -11.863 bonds (distance) P-C4' energy: -13.756 flat angles C4'-P-C4' energy: -13.848 flat angles P-C4'-P energy: -8.748 tors. eta vs tors. theta energy: -15.463 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: 3 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -189.148875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.148875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.148875 (E_RNA) where: Base-Base interactions energy: -123.208 where: short stacking energy: -50.506 Base-Backbone interact. energy: -0.001 local terms energy: -65.939778 where: bonds (distance) C4'-P energy: -13.610 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -14.750 flat angles P-C4'-P energy: -9.299 tors. eta vs tors. theta energy: -14.783 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: 4 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -183.774256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.774256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.774256 (E_RNA) where: Base-Base interactions energy: -133.241 where: short stacking energy: -53.961 Base-Backbone interact. energy: -0.008 local terms energy: -50.525578 where: bonds (distance) C4'-P energy: -7.587 bonds (distance) P-C4' energy: -10.930 flat angles C4'-P-C4' energy: -11.065 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -15.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -182.607550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.607550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.607550 (E_RNA) where: Base-Base interactions energy: -122.822 where: short stacking energy: -53.881 Base-Backbone interact. energy: -0.312 local terms energy: -59.472702 where: bonds (distance) C4'-P energy: -12.900 bonds (distance) P-C4' energy: -11.186 flat angles C4'-P-C4' energy: -14.340 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -16.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -175.696317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.696317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.696317 (E_RNA) where: Base-Base interactions energy: -116.033 where: short stacking energy: -46.097 Base-Backbone interact. energy: 0.553 local terms energy: -60.216244 where: bonds (distance) C4'-P energy: -8.354 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -13.802 flat angles P-C4'-P energy: -9.718 tors. eta vs tors. theta energy: -13.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -171.033347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.033347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.033347 (E_RNA) where: Base-Base interactions energy: -114.445 where: short stacking energy: -44.390 Base-Backbone interact. energy: -0.619 local terms energy: -55.969905 where: bonds (distance) C4'-P energy: -10.123 bonds (distance) P-C4' energy: -11.770 flat angles C4'-P-C4' energy: -11.015 flat angles P-C4'-P energy: -10.183 tors. eta vs tors. theta energy: -12.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -174.187828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.187828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.187828 (E_RNA) where: Base-Base interactions energy: -114.217 where: short stacking energy: -47.209 Base-Backbone interact. energy: -0.002 local terms energy: -59.968893 where: bonds (distance) C4'-P energy: -14.509 bonds (distance) P-C4' energy: -9.079 flat angles C4'-P-C4' energy: -12.674 flat angles P-C4'-P energy: -9.545 tors. eta vs tors. theta energy: -14.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -160.466674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.466674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.466674 (E_RNA) where: Base-Base interactions energy: -110.735 where: short stacking energy: -45.381 Base-Backbone interact. energy: -0.093 local terms energy: -49.639573 where: bonds (distance) C4'-P energy: -7.617 bonds (distance) P-C4' energy: -11.095 flat angles C4'-P-C4' energy: -12.319 flat angles P-C4'-P energy: -4.912 tors. eta vs tors. theta energy: -13.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -61.744880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.744880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.744880 (E_RNA) where: Base-Base interactions energy: -20.860 where: short stacking energy: -18.543 Base-Backbone interact. energy: -0.088 local terms energy: -40.796690 where: bonds (distance) C4'-P energy: -11.042 bonds (distance) P-C4' energy: -8.542 flat angles C4'-P-C4' energy: -11.951 flat angles P-C4'-P energy: -5.841 tors. eta vs tors. theta energy: -3.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -59.212925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.212925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.212925 (E_RNA) where: Base-Base interactions energy: -27.673 where: short stacking energy: -27.007 Base-Backbone interact. energy: -0.090 local terms energy: -31.449692 where: bonds (distance) C4'-P energy: -9.342 bonds (distance) P-C4' energy: -10.138 flat angles C4'-P-C4' energy: -8.301 flat angles P-C4'-P energy: -1.792 tors. eta vs tors. theta energy: -1.876 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: 10 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -187.674599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.674599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.674599 (E_RNA) where: Base-Base interactions energy: -124.300 where: short stacking energy: -49.240 Base-Backbone interact. energy: -0.001 local terms energy: -63.373393 where: bonds (distance) C4'-P energy: -12.911 bonds (distance) P-C4' energy: -11.079 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -9.706 tors. eta vs tors. theta energy: -15.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -182.995440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.995440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.995440 (E_RNA) where: Base-Base interactions energy: -117.814 where: short stacking energy: -49.395 Base-Backbone interact. energy: -0.324 local terms energy: -64.856705 where: bonds (distance) C4'-P energy: -13.790 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -9.131 tors. eta vs tors. theta energy: -15.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -181.318656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.318656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.318656 (E_RNA) where: Base-Base interactions energy: -128.504 where: short stacking energy: -46.279 Base-Backbone interact. energy: -0.024 local terms energy: -52.791210 where: bonds (distance) C4'-P energy: -12.174 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -9.530 flat angles P-C4'-P energy: -2.093 tors. eta vs tors. theta energy: -15.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -180.990840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.990840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.990840 (E_RNA) where: Base-Base interactions energy: -120.709 where: short stacking energy: -51.014 Base-Backbone interact. energy: -0.003 local terms energy: -60.278673 where: bonds (distance) C4'-P energy: -9.247 bonds (distance) P-C4' energy: -12.151 flat angles C4'-P-C4' energy: -14.372 flat angles P-C4'-P energy: -8.391 tors. eta vs tors. theta energy: -16.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -170.594464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.594464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.594464 (E_RNA) where: Base-Base interactions energy: -112.647 where: short stacking energy: -44.613 Base-Backbone interact. energy: -0.186 local terms energy: -57.761826 where: bonds (distance) C4'-P energy: -11.409 bonds (distance) P-C4' energy: -14.893 flat angles C4'-P-C4' energy: -13.195 flat angles P-C4'-P energy: -9.307 tors. eta vs tors. theta energy: -8.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -169.540424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.540424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.540424 (E_RNA) where: Base-Base interactions energy: -112.587 where: short stacking energy: -45.760 Base-Backbone interact. energy: -0.586 local terms energy: -56.366995 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -10.478 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -6.902 tors. eta vs tors. theta energy: -12.755 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: 2 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -173.383852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.383852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.383852 (E_RNA) where: Base-Base interactions energy: -117.679 where: short stacking energy: -34.662 Base-Backbone interact. energy: -0.002 local terms energy: -55.702479 where: bonds (distance) C4'-P energy: -9.662 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -11.299 flat angles P-C4'-P energy: -7.671 tors. eta vs tors. theta energy: -13.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -170.112030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.112030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.112030 (E_RNA) where: Base-Base interactions energy: -110.190 where: short stacking energy: -47.774 Base-Backbone interact. energy: -0.026 local terms energy: -59.895756 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -9.401 flat angles P-C4'-P energy: -10.581 tors. eta vs tors. theta energy: -11.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -71.563626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.563626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.563626 (E_RNA) where: Base-Base interactions energy: -34.411 where: short stacking energy: -22.012 Base-Backbone interact. energy: -0.278 local terms energy: -36.875243 where: bonds (distance) C4'-P energy: -7.714 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -11.131 flat angles P-C4'-P energy: -6.050 tors. eta vs tors. theta energy: 1.652 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: 5 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -58.810075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.810075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.810075 (E_RNA) where: Base-Base interactions energy: -22.257 where: short stacking energy: -22.257 Base-Backbone interact. energy: -0.118 local terms energy: -36.435381 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -10.351 flat angles C4'-P-C4' energy: -9.373 flat angles P-C4'-P energy: -7.698 tors. eta vs tors. theta energy: -0.680 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: 458 Temperature: 0.900000 Total energy: -185.463440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.463440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.463440 (E_RNA) where: Base-Base interactions energy: -126.026 where: short stacking energy: -53.064 Base-Backbone interact. energy: -0.081 local terms energy: -59.355875 where: bonds (distance) C4'-P energy: -12.547 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -11.552 flat angles P-C4'-P energy: -7.111 tors. eta vs tors. theta energy: -16.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -189.506479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.506479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.506479 (E_RNA) where: Base-Base interactions energy: -126.692 where: short stacking energy: -47.730 Base-Backbone interact. energy: -0.001 local terms energy: -62.813683 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -10.834 flat angles C4'-P-C4' energy: -14.984 flat angles P-C4'-P energy: -7.291 tors. eta vs tors. theta energy: -16.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -188.490306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.490306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.490306 (E_RNA) where: Base-Base interactions energy: -126.369 where: short stacking energy: -52.834 Base-Backbone interact. energy: -0.000 local terms energy: -62.120622 where: bonds (distance) C4'-P energy: -12.279 bonds (distance) P-C4' energy: -11.978 flat angles C4'-P-C4' energy: -11.718 flat angles P-C4'-P energy: -8.755 tors. eta vs tors. theta energy: -17.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -182.619444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.619444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.619444 (E_RNA) where: Base-Base interactions energy: -128.172 where: short stacking energy: -50.758 Base-Backbone interact. energy: -0.163 local terms energy: -54.284856 where: bonds (distance) C4'-P energy: -12.862 bonds (distance) P-C4' energy: -5.399 flat angles C4'-P-C4' energy: -12.880 flat angles P-C4'-P energy: -9.979 tors. eta vs tors. theta energy: -13.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -179.900623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.900623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.900623 (E_RNA) where: Base-Base interactions energy: -118.994 where: short stacking energy: -46.747 Base-Backbone interact. energy: -0.513 local terms energy: -60.393884 where: bonds (distance) C4'-P energy: -12.787 bonds (distance) P-C4' energy: -9.275 flat angles C4'-P-C4' energy: -10.438 flat angles P-C4'-P energy: -11.970 tors. eta vs tors. theta energy: -15.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -161.568371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.568371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.568371 (E_RNA) where: Base-Base interactions energy: -108.869 where: short stacking energy: -42.119 Base-Backbone interact. energy: -0.116 local terms energy: -52.582923 where: bonds (distance) C4'-P energy: -12.875 bonds (distance) P-C4' energy: -10.566 flat angles C4'-P-C4' energy: -9.778 flat angles P-C4'-P energy: -7.779 tors. eta vs tors. theta energy: -11.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -174.481139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.481139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.481139 (E_RNA) where: Base-Base interactions energy: -121.212 where: short stacking energy: -44.003 Base-Backbone interact. energy: -0.017 local terms energy: -53.252062 where: bonds (distance) C4'-P energy: -11.168 bonds (distance) P-C4' energy: -9.880 flat angles C4'-P-C4' energy: -9.157 flat angles P-C4'-P energy: -8.697 tors. eta vs tors. theta energy: -14.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -165.683873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.683873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.683873 (E_RNA) where: Base-Base interactions energy: -111.705 where: short stacking energy: -46.261 Base-Backbone interact. energy: -0.096 local terms energy: -53.882965 where: bonds (distance) C4'-P energy: -9.823 bonds (distance) P-C4' energy: -10.194 flat angles C4'-P-C4' energy: -13.313 flat angles P-C4'-P energy: -9.670 tors. eta vs tors. theta energy: -10.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -68.909325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.909325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.909325 (E_RNA) where: Base-Base interactions energy: -19.717 where: short stacking energy: -19.717 Base-Backbone interact. energy: -0.076 local terms energy: -49.116935 where: bonds (distance) C4'-P energy: -9.803 bonds (distance) P-C4' energy: -14.597 flat angles C4'-P-C4' energy: -10.280 flat angles P-C4'-P energy: -8.417 tors. eta vs tors. theta energy: -6.021 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: 458 Temperature: 1.350000 Total energy: -75.502429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.502429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.502429 (E_RNA) where: Base-Base interactions energy: -32.090 where: short stacking energy: -25.789 Base-Backbone interact. energy: -0.052 local terms energy: -43.360405 where: bonds (distance) C4'-P energy: -9.418 bonds (distance) P-C4' energy: -12.653 flat angles C4'-P-C4' energy: -7.983 flat angles P-C4'-P energy: -9.030 tors. eta vs tors. theta energy: -4.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -188.767876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.767876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.767876 (E_RNA) where: Base-Base interactions energy: -126.302 where: short stacking energy: -51.016 Base-Backbone interact. energy: -0.045 local terms energy: -62.421025 where: bonds (distance) C4'-P energy: -10.995 bonds (distance) P-C4' energy: -14.325 flat angles C4'-P-C4' energy: -14.336 flat angles P-C4'-P energy: -5.538 tors. eta vs tors. theta energy: -17.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -190.377215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.377215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.377215 (E_RNA) where: Base-Base interactions energy: -123.682 where: short stacking energy: -52.219 Base-Backbone interact. energy: -0.822 local terms energy: -65.873177 where: bonds (distance) C4'-P energy: -12.621 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -13.215 flat angles P-C4'-P energy: -9.132 tors. eta vs tors. theta energy: -16.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -186.444151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.444151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.444151 (E_RNA) where: Base-Base interactions energy: -122.697 where: short stacking energy: -47.310 Base-Backbone interact. energy: 1.016 local terms energy: -64.763208 where: bonds (distance) C4'-P energy: -13.197 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -12.785 flat angles P-C4'-P energy: -10.242 tors. eta vs tors. theta energy: -14.721 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: 4, replica: 1 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -187.753996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.753996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.753996 (E_RNA) where: Base-Base interactions energy: -123.225 where: short stacking energy: -51.995 Base-Backbone interact. energy: -0.005 local terms energy: -64.523936 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -13.121 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -15.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -181.758821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.758821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.758821 (E_RNA) where: Base-Base interactions energy: -125.430 where: short stacking energy: -49.546 Base-Backbone interact. energy: -0.003 local terms energy: -56.326390 where: bonds (distance) C4'-P energy: -11.726 bonds (distance) P-C4' energy: -11.616 flat angles C4'-P-C4' energy: -11.552 flat angles P-C4'-P energy: -7.776 tors. eta vs tors. theta energy: -13.656 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: 8 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -178.492136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.492136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.492136 (E_RNA) where: Base-Base interactions energy: -117.974 where: short stacking energy: -44.410 Base-Backbone interact. energy: -0.007 local terms energy: -60.510275 where: bonds (distance) C4'-P energy: -12.734 bonds (distance) P-C4' energy: -13.889 flat angles C4'-P-C4' energy: -14.117 flat angles P-C4'-P energy: -7.248 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: 7, replica: 6 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -173.066213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.066213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.066213 (E_RNA) where: Base-Base interactions energy: -112.511 where: short stacking energy: -41.763 Base-Backbone interact. energy: -0.000 local terms energy: -60.554325 where: bonds (distance) C4'-P energy: -13.967 bonds (distance) P-C4' energy: -12.103 flat angles C4'-P-C4' energy: -12.103 flat angles P-C4'-P energy: -8.141 tors. eta vs tors. theta energy: -14.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -166.079772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.079772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.079772 (E_RNA) where: Base-Base interactions energy: -116.685 where: short stacking energy: -48.409 Base-Backbone interact. energy: -0.010 local terms energy: -49.384588 where: bonds (distance) C4'-P energy: -7.848 bonds (distance) P-C4' energy: -11.119 flat angles C4'-P-C4' energy: -12.770 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -14.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -67.652946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.652946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.652946 (E_RNA) where: Base-Base interactions energy: -31.441 where: short stacking energy: -30.815 Base-Backbone interact. energy: -0.585 local terms energy: -35.626401 where: bonds (distance) C4'-P energy: -7.662 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -5.252 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: 10, replica: 7 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -76.707559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.707559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.707559 (E_RNA) where: Base-Base interactions energy: -25.246 where: short stacking energy: -25.246 Base-Backbone interact. energy: -0.073 local terms energy: -51.387957 where: bonds (distance) C4'-P energy: -9.703 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -10.460 flat angles P-C4'-P energy: -9.526 tors. eta vs tors. theta energy: -9.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -188.483747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.483747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.483747 (E_RNA) where: Base-Base interactions energy: -126.800 where: short stacking energy: -52.160 Base-Backbone interact. energy: -0.042 local terms energy: -61.641930 where: bonds (distance) C4'-P energy: -12.096 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -11.442 flat angles P-C4'-P energy: -9.496 tors. eta vs tors. theta energy: -15.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -186.022358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.022358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.022358 (E_RNA) where: Base-Base interactions energy: -126.051 where: short stacking energy: -44.847 Base-Backbone interact. energy: -0.106 local terms energy: -59.866076 where: bonds (distance) C4'-P energy: -10.717 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -13.511 flat angles P-C4'-P energy: -6.551 tors. eta vs tors. theta energy: -16.241 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: 1 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -182.287239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.287239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.287239 (E_RNA) where: Base-Base interactions energy: -121.610 where: short stacking energy: -50.604 Base-Backbone interact. energy: -0.006 local terms energy: -60.671073 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -12.987 flat angles C4'-P-C4' energy: -11.138 flat angles P-C4'-P energy: -8.201 tors. eta vs tors. theta energy: -16.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -183.500344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.500344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.500344 (E_RNA) where: Base-Base interactions energy: -121.811 where: short stacking energy: -47.720 Base-Backbone interact. energy: -0.004 local terms energy: -61.685451 where: bonds (distance) C4'-P energy: -12.248 bonds (distance) P-C4' energy: -15.587 flat angles C4'-P-C4' energy: -11.885 flat angles P-C4'-P energy: -10.034 tors. eta vs tors. theta energy: -11.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -176.885659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.885659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.885659 (E_RNA) where: Base-Base interactions energy: -119.206 where: short stacking energy: -43.276 Base-Backbone interact. energy: -0.058 local terms energy: -57.621919 where: bonds (distance) C4'-P energy: -12.626 bonds (distance) P-C4' energy: -11.531 flat angles C4'-P-C4' energy: -13.074 flat angles P-C4'-P energy: -6.863 tors. eta vs tors. theta energy: -13.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -172.040371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.040371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.040371 (E_RNA) where: Base-Base interactions energy: -117.402 where: short stacking energy: -48.248 Base-Backbone interact. energy: -0.910 local terms energy: -53.728120 where: bonds (distance) C4'-P energy: -8.119 bonds (distance) P-C4' energy: -11.909 flat angles C4'-P-C4' energy: -13.134 flat angles P-C4'-P energy: -6.064 tors. eta vs tors. theta energy: -14.501 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: 2 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -177.785504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.785504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.785504 (E_RNA) where: Base-Base interactions energy: -123.171 where: short stacking energy: -46.015 Base-Backbone interact. energy: -0.024 local terms energy: -54.590541 where: bonds (distance) C4'-P energy: -13.085 bonds (distance) P-C4' energy: -12.753 flat angles C4'-P-C4' energy: -11.895 flat angles P-C4'-P energy: -7.830 tors. eta vs tors. theta energy: -9.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -157.425682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.425682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.425682 (E_RNA) where: Base-Base interactions energy: -99.856 where: short stacking energy: -42.677 Base-Backbone interact. energy: -0.183 local terms energy: -57.387334 where: bonds (distance) C4'-P energy: -11.328 bonds (distance) P-C4' energy: -9.766 flat angles C4'-P-C4' energy: -15.486 flat angles P-C4'-P energy: -7.725 tors. eta vs tors. theta energy: -13.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -64.505664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.505664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.505664 (E_RNA) where: Base-Base interactions energy: -30.427 where: short stacking energy: -30.427 Base-Backbone interact. energy: -0.080 local terms energy: -33.999128 where: bonds (distance) C4'-P energy: -9.189 bonds (distance) P-C4' energy: -10.153 flat angles C4'-P-C4' energy: -11.547 flat angles P-C4'-P energy: 0.009 tors. eta vs tors. theta energy: -3.119 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: 5 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -70.826197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.826197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.826197 (E_RNA) where: Base-Base interactions energy: -26.661 where: short stacking energy: -26.661 Base-Backbone interact. energy: -0.001 local terms energy: -44.164014 where: bonds (distance) C4'-P energy: -9.707 bonds (distance) P-C4' energy: -9.917 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -6.182 tors. eta vs tors. theta energy: -6.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -187.789134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.789134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.789134 (E_RNA) where: Base-Base interactions energy: -129.806 where: short stacking energy: -48.865 Base-Backbone interact. energy: -0.002 local terms energy: -57.981283 where: bonds (distance) C4'-P energy: -11.595 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -11.291 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -16.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -187.993887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.993887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.993887 (E_RNA) where: Base-Base interactions energy: -124.424 where: short stacking energy: -46.228 Base-Backbone interact. energy: -0.041 local terms energy: -63.529738 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -14.781 flat angles P-C4'-P energy: -7.509 tors. eta vs tors. theta energy: -13.174 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: 10 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -187.140450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.140450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.140450 (E_RNA) where: Base-Base interactions energy: -122.897 where: short stacking energy: -48.428 Base-Backbone interact. energy: -0.030 local terms energy: -64.213033 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -12.975 flat angles P-C4'-P energy: -6.903 tors. eta vs tors. theta energy: -16.577 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: 8 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -180.172928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.172928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.172928 (E_RNA) where: Base-Base interactions energy: -128.615 where: short stacking energy: -52.144 Base-Backbone interact. energy: -0.033 local terms energy: -51.524675 where: bonds (distance) C4'-P energy: -9.640 bonds (distance) P-C4' energy: -10.262 flat angles C4'-P-C4' energy: -11.084 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -16.106 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: 3 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -174.879357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.879357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.879357 (E_RNA) where: Base-Base interactions energy: -119.909 where: short stacking energy: -42.124 Base-Backbone interact. energy: 0.492 local terms energy: -55.462751 where: bonds (distance) C4'-P energy: -9.533 bonds (distance) P-C4' energy: -8.297 flat angles C4'-P-C4' energy: -11.962 flat angles P-C4'-P energy: -9.721 tors. eta vs tors. theta energy: -15.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -174.663427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.663427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.663427 (E_RNA) where: Base-Base interactions energy: -120.414 where: short stacking energy: -47.705 Base-Backbone interact. energy: -0.007 local terms energy: -54.242250 where: bonds (distance) C4'-P energy: -11.303 bonds (distance) P-C4' energy: -11.599 flat angles C4'-P-C4' energy: -14.485 flat angles P-C4'-P energy: -7.426 tors. eta vs tors. theta energy: -9.430 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: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -169.890821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.890821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.890821 (E_RNA) where: Base-Base interactions energy: -119.325 where: short stacking energy: -48.985 Base-Backbone interact. energy: -1.055 local terms energy: -49.510942 where: bonds (distance) C4'-P energy: -10.515 bonds (distance) P-C4' energy: -9.328 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -8.114 tors. eta vs tors. theta energy: -14.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -173.763030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.763030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.763030 (E_RNA) where: Base-Base interactions energy: -117.707 where: short stacking energy: -45.556 Base-Backbone interact. energy: -0.009 local terms energy: -56.046416 where: bonds (distance) C4'-P energy: -8.902 bonds (distance) P-C4' energy: -11.073 flat angles C4'-P-C4' energy: -13.168 flat angles P-C4'-P energy: -8.011 tors. eta vs tors. theta energy: -14.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -73.285654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.285654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.285654 (E_RNA) where: Base-Base interactions energy: -36.794 where: short stacking energy: -24.220 Base-Backbone interact. energy: -0.288 local terms energy: -36.204101 where: bonds (distance) C4'-P energy: -10.151 bonds (distance) P-C4' energy: -10.120 flat angles C4'-P-C4' energy: -13.067 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: 0.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -61.164702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.164702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.164702 (E_RNA) where: Base-Base interactions energy: -25.644 where: short stacking energy: -11.292 Base-Backbone interact. energy: -0.094 local terms energy: -35.426493 where: bonds (distance) C4'-P energy: -8.713 bonds (distance) P-C4' energy: -11.927 flat angles C4'-P-C4' energy: -11.580 flat angles P-C4'-P energy: -7.247 tors. eta vs tors. theta energy: 4.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -194.639875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.639875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.639875 (E_RNA) where: Base-Base interactions energy: -127.197 where: short stacking energy: -56.919 Base-Backbone interact. energy: -0.595 local terms energy: -66.848198 where: bonds (distance) C4'-P energy: -13.214 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -13.235 flat angles P-C4'-P energy: -11.217 tors. eta vs tors. theta energy: -16.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -189.033633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.033633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.033633 (E_RNA) where: Base-Base interactions energy: -131.661 where: short stacking energy: -47.036 Base-Backbone interact. energy: -0.802 local terms energy: -56.570760 where: bonds (distance) C4'-P energy: -10.868 bonds (distance) P-C4' energy: -10.415 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -8.917 tors. eta vs tors. theta energy: -12.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -181.548257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.548257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.548257 (E_RNA) where: Base-Base interactions energy: -122.820 where: short stacking energy: -54.061 Base-Backbone interact. energy: -0.004 local terms energy: -58.724874 where: bonds (distance) C4'-P energy: -11.367 bonds (distance) P-C4' energy: -13.970 flat angles C4'-P-C4' energy: -10.031 flat angles P-C4'-P energy: -8.786 tors. eta vs tors. theta energy: -14.572 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: 4, replica: 10 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -181.965024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.965024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.965024 (E_RNA) where: Base-Base interactions energy: -123.975 where: short stacking energy: -51.175 Base-Backbone interact. energy: -0.001 local terms energy: -57.988781 where: bonds (distance) C4'-P energy: -12.953 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -11.257 flat angles P-C4'-P energy: -7.138 tors. eta vs tors. theta energy: -14.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -170.975830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.975830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.975830 (E_RNA) where: Base-Base interactions energy: -107.722 where: short stacking energy: -46.905 Base-Backbone interact. energy: 0.205 local terms energy: -63.458920 where: bonds (distance) C4'-P energy: -12.875 bonds (distance) P-C4' energy: -13.378 flat angles C4'-P-C4' energy: -11.661 flat angles P-C4'-P energy: -8.751 tors. eta vs tors. theta energy: -16.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -174.356943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.356943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.356943 (E_RNA) where: Base-Base interactions energy: -115.782 where: short stacking energy: -50.016 Base-Backbone interact. energy: -0.003 local terms energy: -58.572292 where: bonds (distance) C4'-P energy: -10.374 bonds (distance) P-C4' energy: -11.914 flat angles C4'-P-C4' energy: -13.860 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: -13.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -170.519850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.519850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.519850 (E_RNA) where: Base-Base interactions energy: -116.506 where: short stacking energy: -47.406 Base-Backbone interact. energy: -0.002 local terms energy: -54.011816 where: bonds (distance) C4'-P energy: -11.574 bonds (distance) P-C4' energy: -10.050 flat angles C4'-P-C4' energy: -12.436 flat angles P-C4'-P energy: -7.589 tors. eta vs tors. theta energy: -12.363 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: 9 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -168.369353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.369353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.369353 (E_RNA) where: Base-Base interactions energy: -113.757 where: short stacking energy: -47.308 Base-Backbone interact. energy: -0.107 local terms energy: -54.505714 where: bonds (distance) C4'-P energy: -10.254 bonds (distance) P-C4' energy: -14.796 flat angles C4'-P-C4' energy: -8.485 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -16.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -64.634071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.634071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.634071 (E_RNA) where: Base-Base interactions energy: -17.701 where: short stacking energy: -17.701 Base-Backbone interact. energy: -0.165 local terms energy: -46.768920 where: bonds (distance) C4'-P energy: -11.268 bonds (distance) P-C4' energy: -14.597 flat angles C4'-P-C4' energy: -12.021 flat angles P-C4'-P energy: -8.590 tors. eta vs tors. theta energy: -0.293 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: 462 Temperature: 1.350000 Total energy: -61.838339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.838339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.838339 (E_RNA) where: Base-Base interactions energy: -20.280 where: short stacking energy: -17.250 Base-Backbone interact. energy: -0.121 local terms energy: -41.437512 where: bonds (distance) C4'-P energy: -9.446 bonds (distance) P-C4' energy: -13.251 flat angles C4'-P-C4' energy: -9.410 flat angles P-C4'-P energy: -5.473 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: 1 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -187.748007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.748007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.748007 (E_RNA) where: Base-Base interactions energy: -127.121 where: short stacking energy: -53.481 Base-Backbone interact. energy: -0.011 local terms energy: -60.616332 where: bonds (distance) C4'-P energy: -13.072 bonds (distance) P-C4' energy: -12.454 flat angles C4'-P-C4' energy: -12.213 flat angles P-C4'-P energy: -9.153 tors. eta vs tors. theta energy: -13.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -187.542615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.542615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.542615 (E_RNA) where: Base-Base interactions energy: -121.853 where: short stacking energy: -50.902 Base-Backbone interact. energy: -0.102 local terms energy: -65.587589 where: bonds (distance) C4'-P energy: -11.906 bonds (distance) P-C4' energy: -14.328 flat angles C4'-P-C4' energy: -12.710 flat angles P-C4'-P energy: -9.125 tors. eta vs tors. theta energy: -17.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -180.146284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.146284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.146284 (E_RNA) where: Base-Base interactions energy: -128.128 where: short stacking energy: -47.080 Base-Backbone interact. energy: -0.033 local terms energy: -51.984610 where: bonds (distance) C4'-P energy: -10.257 bonds (distance) P-C4' energy: -9.042 flat angles C4'-P-C4' energy: -10.967 flat angles P-C4'-P energy: -9.186 tors. eta vs tors. theta energy: -12.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -178.474855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.474855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.474855 (E_RNA) where: Base-Base interactions energy: -126.214 where: short stacking energy: -49.048 Base-Backbone interact. energy: -0.081 local terms energy: -52.180138 where: bonds (distance) C4'-P energy: -9.232 bonds (distance) P-C4' energy: -12.177 flat angles C4'-P-C4' energy: -12.326 flat angles P-C4'-P energy: -6.568 tors. eta vs tors. theta energy: -11.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -178.804590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.804590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.804590 (E_RNA) where: Base-Base interactions energy: -127.906 where: short stacking energy: -45.613 Base-Backbone interact. energy: -0.105 local terms energy: -50.792815 where: bonds (distance) C4'-P energy: -4.780 bonds (distance) P-C4' energy: -13.901 flat angles C4'-P-C4' energy: -12.495 flat angles P-C4'-P energy: -7.139 tors. eta vs tors. theta energy: -12.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -174.876322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.876322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.876322 (E_RNA) where: Base-Base interactions energy: -117.618 where: short stacking energy: -41.268 Base-Backbone interact. energy: -0.384 local terms energy: -56.874185 where: bonds (distance) C4'-P energy: -10.358 bonds (distance) P-C4' energy: -10.644 flat angles C4'-P-C4' energy: -12.711 flat angles P-C4'-P energy: -6.145 tors. eta vs tors. theta energy: -17.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -170.257813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.257813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.257813 (E_RNA) where: Base-Base interactions energy: -115.127 where: short stacking energy: -42.444 Base-Backbone interact. energy: -0.136 local terms energy: -54.994552 where: bonds (distance) C4'-P energy: -10.564 bonds (distance) P-C4' energy: -10.950 flat angles C4'-P-C4' energy: -13.338 flat angles P-C4'-P energy: -5.865 tors. eta vs tors. theta energy: -14.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -156.123153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.123153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.123153 (E_RNA) where: Base-Base interactions energy: -107.947 where: short stacking energy: -37.572 Base-Backbone interact. energy: -0.016 local terms energy: -48.160272 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -13.873 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -12.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -62.555671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.555671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.555671 (E_RNA) where: Base-Base interactions energy: -16.775 where: short stacking energy: -16.775 Base-Backbone interact. energy: -0.107 local terms energy: -45.674091 where: bonds (distance) C4'-P energy: -10.200 bonds (distance) P-C4' energy: -11.917 flat angles C4'-P-C4' energy: -11.366 flat angles P-C4'-P energy: -9.111 tors. eta vs tors. theta energy: -3.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -66.718771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.718771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.718771 (E_RNA) where: Base-Base interactions energy: -27.618 where: short stacking energy: -23.516 Base-Backbone interact. energy: -0.512 local terms energy: -38.588225 where: bonds (distance) C4'-P energy: -10.977 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -8.658 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -186.785460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.785460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.785460 (E_RNA) where: Base-Base interactions energy: -125.269 where: short stacking energy: -51.933 Base-Backbone interact. energy: 0.211 local terms energy: -61.727127 where: bonds (distance) C4'-P energy: -11.482 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -11.933 flat angles P-C4'-P energy: -9.384 tors. eta vs tors. theta energy: -14.487 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: 8 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -191.982969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.982969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.982969 (E_RNA) where: Base-Base interactions energy: -126.966 where: short stacking energy: -53.273 Base-Backbone interact. energy: -0.004 local terms energy: -65.012221 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -11.643 flat angles P-C4'-P energy: -9.542 tors. eta vs tors. theta energy: -16.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -181.238757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.238757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.238757 (E_RNA) where: Base-Base interactions energy: -121.234 where: short stacking energy: -51.023 Base-Backbone interact. energy: -0.818 local terms energy: -59.186651 where: bonds (distance) C4'-P energy: -8.452 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -11.246 flat angles P-C4'-P energy: -8.124 tors. eta vs tors. theta energy: -16.690 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: 4, replica: 4 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -185.051515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.051515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.051515 (E_RNA) where: Base-Base interactions energy: -123.414 where: short stacking energy: -51.855 Base-Backbone interact. energy: -0.012 local terms energy: -61.625039 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -12.532 flat angles C4'-P-C4' energy: -10.807 flat angles P-C4'-P energy: -10.000 tors. eta vs tors. theta energy: -14.754 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: 10 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -173.446567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.446567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.446567 (E_RNA) where: Base-Base interactions energy: -117.793 where: short stacking energy: -48.458 Base-Backbone interact. energy: -1.153 local terms energy: -54.500730 where: bonds (distance) C4'-P energy: -8.108 bonds (distance) P-C4' energy: -10.695 flat angles C4'-P-C4' energy: -13.337 flat angles P-C4'-P energy: -9.402 tors. eta vs tors. theta energy: -12.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -180.160873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.160873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.160873 (E_RNA) where: Base-Base interactions energy: -119.782 where: short stacking energy: -55.009 Base-Backbone interact. energy: 0.124 local terms energy: -60.503124 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -14.023 flat angles C4'-P-C4' energy: -11.267 flat angles P-C4'-P energy: -9.409 tors. eta vs tors. theta energy: -13.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -162.696969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.696969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.696969 (E_RNA) where: Base-Base interactions energy: -107.884 where: short stacking energy: -42.790 Base-Backbone interact. energy: -1.108 local terms energy: -53.705482 where: bonds (distance) C4'-P energy: -9.412 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -10.601 flat angles P-C4'-P energy: -9.220 tors. eta vs tors. theta energy: -10.273 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: 464 Temperature: 1.250000 Total energy: -162.842997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.842997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.842997 (E_RNA) where: Base-Base interactions energy: -111.865 where: short stacking energy: -43.336 Base-Backbone interact. energy: -0.001 local terms energy: -50.977343 where: bonds (distance) C4'-P energy: -4.545 bonds (distance) P-C4' energy: -11.585 flat angles C4'-P-C4' energy: -12.615 flat angles P-C4'-P energy: -8.491 tors. eta vs tors. theta energy: -13.741 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: 9, replica: 7 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -69.062987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.062987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.062987 (E_RNA) where: Base-Base interactions energy: -25.717 where: short stacking energy: -17.055 Base-Backbone interact. energy: -0.129 local terms energy: -43.217396 where: bonds (distance) C4'-P energy: -6.706 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -10.544 flat angles P-C4'-P energy: -9.534 tors. eta vs tors. theta energy: -2.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -64.196553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.196553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.196553 (E_RNA) where: Base-Base interactions energy: -24.270 where: short stacking energy: -20.521 Base-Backbone interact. energy: -0.121 local terms energy: -39.805624 where: bonds (distance) C4'-P energy: -11.180 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -10.366 flat angles P-C4'-P energy: -6.101 tors. eta vs tors. theta energy: 0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -194.917685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.917685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.917685 (E_RNA) where: Base-Base interactions energy: -130.319 where: short stacking energy: -51.503 Base-Backbone interact. energy: -0.002 local terms energy: -64.595983 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -12.205 flat angles C4'-P-C4' energy: -10.583 flat angles P-C4'-P energy: -10.962 tors. eta vs tors. theta energy: -16.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -185.644682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.644682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.644682 (E_RNA) where: Base-Base interactions energy: -129.750 where: short stacking energy: -51.667 Base-Backbone interact. energy: 0.926 local terms energy: -56.820634 where: bonds (distance) C4'-P energy: -11.676 bonds (distance) P-C4' energy: -10.691 flat angles C4'-P-C4' energy: -9.588 flat angles P-C4'-P energy: -8.749 tors. eta vs tors. theta energy: -16.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -183.646852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.646852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.646852 (E_RNA) where: Base-Base interactions energy: -122.059 where: short stacking energy: -46.750 Base-Backbone interact. energy: -0.412 local terms energy: -61.175294 where: bonds (distance) C4'-P energy: -12.208 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -11.846 flat angles P-C4'-P energy: -7.474 tors. eta vs tors. theta energy: -14.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -179.184369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.184369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.184369 (E_RNA) where: Base-Base interactions energy: -125.073 where: short stacking energy: -47.873 Base-Backbone interact. energy: -0.171 local terms energy: -53.941174 where: bonds (distance) C4'-P energy: -7.876 bonds (distance) P-C4' energy: -8.320 flat angles C4'-P-C4' energy: -12.570 flat angles P-C4'-P energy: -10.731 tors. eta vs tors. theta energy: -14.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -176.067831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.067831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.067831 (E_RNA) where: Base-Base interactions energy: -117.516 where: short stacking energy: -50.831 Base-Backbone interact. energy: -0.101 local terms energy: -58.450206 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -11.327 flat angles C4'-P-C4' energy: -13.481 flat angles P-C4'-P energy: -6.604 tors. eta vs tors. theta energy: -13.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -171.629362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.629362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.629362 (E_RNA) where: Base-Base interactions energy: -115.280 where: short stacking energy: -48.418 Base-Backbone interact. energy: -0.021 local terms energy: -56.328972 where: bonds (distance) C4'-P energy: -10.755 bonds (distance) P-C4' energy: -11.675 flat angles C4'-P-C4' energy: -9.889 flat angles P-C4'-P energy: -10.037 tors. eta vs tors. theta energy: -13.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -175.305714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.305714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.305714 (E_RNA) where: Base-Base interactions energy: -121.379 where: short stacking energy: -44.628 Base-Backbone interact. energy: -0.428 local terms energy: -53.498135 where: bonds (distance) C4'-P energy: -11.470 bonds (distance) P-C4' energy: -8.359 flat angles C4'-P-C4' energy: -12.280 flat angles P-C4'-P energy: -7.998 tors. eta vs tors. theta energy: -13.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -161.688722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.688722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.688722 (E_RNA) where: Base-Base interactions energy: -106.198 where: short stacking energy: -45.410 Base-Backbone interact. energy: -0.050 local terms energy: -55.441404 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -10.622 flat angles C4'-P-C4' energy: -12.353 flat angles P-C4'-P energy: -8.450 tors. eta vs tors. theta energy: -10.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -73.007135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.007135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.007135 (E_RNA) where: Base-Base interactions energy: -38.695 where: short stacking energy: -26.942 Base-Backbone interact. energy: -0.961 local terms energy: -33.350656 where: bonds (distance) C4'-P energy: -12.122 bonds (distance) P-C4' energy: -6.849 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -6.804 tors. eta vs tors. theta energy: -0.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -69.140704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.140704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.140704 (E_RNA) where: Base-Base interactions energy: -18.983 where: short stacking energy: -18.983 Base-Backbone interact. energy: -0.094 local terms energy: -50.063010 where: bonds (distance) C4'-P energy: -11.558 bonds (distance) P-C4' energy: -11.359 flat angles C4'-P-C4' energy: -12.178 flat angles P-C4'-P energy: -8.138 tors. eta vs tors. theta energy: -6.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -189.058584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.058584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.058584 (E_RNA) where: Base-Base interactions energy: -125.776 where: short stacking energy: -48.992 Base-Backbone interact. energy: -1.054 local terms energy: -62.228208 where: bonds (distance) C4'-P energy: -11.048 bonds (distance) P-C4' energy: -11.549 flat angles C4'-P-C4' energy: -13.782 flat angles P-C4'-P energy: -9.625 tors. eta vs tors. theta energy: -16.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -180.798017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.798017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.798017 (E_RNA) where: Base-Base interactions energy: -126.377 where: short stacking energy: -47.050 Base-Backbone interact. energy: -0.002 local terms energy: -54.418590 where: bonds (distance) C4'-P energy: -6.957 bonds (distance) P-C4' energy: -12.199 flat angles C4'-P-C4' energy: -10.740 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -16.190 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: 3, replica: 4 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -186.532979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.532979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.532979 (E_RNA) where: Base-Base interactions energy: -126.375 where: short stacking energy: -51.383 Base-Backbone interact. energy: -0.030 local terms energy: -60.127719 where: bonds (distance) C4'-P energy: -13.159 bonds (distance) P-C4' energy: -12.056 flat angles C4'-P-C4' energy: -13.149 flat angles P-C4'-P energy: -3.171 tors. eta vs tors. theta energy: -18.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -179.399038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.399038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.399038 (E_RNA) where: Base-Base interactions energy: -123.016 where: short stacking energy: -46.244 Base-Backbone interact. energy: -0.000 local terms energy: -56.382222 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -10.916 flat angles C4'-P-C4' energy: -13.771 flat angles P-C4'-P energy: -7.233 tors. eta vs tors. theta energy: -13.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -175.848630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.848630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.848630 (E_RNA) where: Base-Base interactions energy: -116.561 where: short stacking energy: -43.507 Base-Backbone interact. energy: -0.097 local terms energy: -59.189817 where: bonds (distance) C4'-P energy: -11.507 bonds (distance) P-C4' energy: -13.359 flat angles C4'-P-C4' energy: -12.471 flat angles P-C4'-P energy: -8.256 tors. eta vs tors. theta energy: -13.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -174.179816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.179816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.179816 (E_RNA) where: Base-Base interactions energy: -117.354 where: short stacking energy: -52.217 Base-Backbone interact. energy: -0.001 local terms energy: -56.824333 where: bonds (distance) C4'-P energy: -9.538 bonds (distance) P-C4' energy: -11.137 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -9.826 tors. eta vs tors. theta energy: -13.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -164.115792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.115792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.115792 (E_RNA) where: Base-Base interactions energy: -109.064 where: short stacking energy: -42.064 Base-Backbone interact. energy: -0.004 local terms energy: -55.047992 where: bonds (distance) C4'-P energy: -9.732 bonds (distance) P-C4' energy: -11.119 flat angles C4'-P-C4' energy: -13.594 flat angles P-C4'-P energy: -5.321 tors. eta vs tors. theta energy: -15.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -164.236916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.236916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.236916 (E_RNA) where: Base-Base interactions energy: -116.124 where: short stacking energy: -43.313 Base-Backbone interact. energy: -0.054 local terms energy: -48.059192 where: bonds (distance) C4'-P energy: -5.742 bonds (distance) P-C4' energy: -12.438 flat angles C4'-P-C4' energy: -8.751 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -16.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -70.375368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.375368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.375368 (E_RNA) where: Base-Base interactions energy: -25.928 where: short stacking energy: -24.883 Base-Backbone interact. energy: -0.245 local terms energy: -44.202333 where: bonds (distance) C4'-P energy: -13.372 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -6.673 tors. eta vs tors. theta energy: -3.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -63.704907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.704907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.704907 (E_RNA) where: Base-Base interactions energy: -25.650 where: short stacking energy: -21.040 Base-Backbone interact. energy: -0.054 local terms energy: -38.000214 where: bonds (distance) C4'-P energy: -9.919 bonds (distance) P-C4' energy: -10.622 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -7.880 tors. eta vs tors. theta energy: -2.292 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: 1 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -191.498444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.498444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.498444 (E_RNA) where: Base-Base interactions energy: -133.345 where: short stacking energy: -54.304 Base-Backbone interact. energy: -0.001 local terms energy: -58.152076 where: bonds (distance) C4'-P energy: -9.988 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -10.260 flat angles P-C4'-P energy: -9.021 tors. eta vs tors. theta energy: -15.341 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: 3 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -181.854347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.854347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.854347 (E_RNA) where: Base-Base interactions energy: -126.162 where: short stacking energy: -53.726 Base-Backbone interact. energy: -0.502 local terms energy: -55.190489 where: bonds (distance) C4'-P energy: -7.462 bonds (distance) P-C4' energy: -9.880 flat angles C4'-P-C4' energy: -13.681 flat angles P-C4'-P energy: -7.972 tors. eta vs tors. theta energy: -16.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -181.909836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.909836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.909836 (E_RNA) where: Base-Base interactions energy: -116.097 where: short stacking energy: -50.280 Base-Backbone interact. energy: -0.020 local terms energy: -65.792571 where: bonds (distance) C4'-P energy: -11.772 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -13.759 flat angles P-C4'-P energy: -10.661 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: 4, replica: 2 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -179.571558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.571558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.571558 (E_RNA) where: Base-Base interactions energy: -117.175 where: short stacking energy: -46.726 Base-Backbone interact. energy: -0.721 local terms energy: -61.675438 where: bonds (distance) C4'-P energy: -15.167 bonds (distance) P-C4' energy: -14.220 flat angles C4'-P-C4' energy: -9.302 flat angles P-C4'-P energy: -8.051 tors. eta vs tors. theta energy: -14.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -173.629755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.629755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.629755 (E_RNA) where: Base-Base interactions energy: -117.676 where: short stacking energy: -45.025 Base-Backbone interact. energy: 0.197 local terms energy: -56.150785 where: bonds (distance) C4'-P energy: -9.946 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -13.387 flat angles P-C4'-P energy: -8.509 tors. eta vs tors. theta energy: -11.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -170.156404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.156404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.156404 (E_RNA) where: Base-Base interactions energy: -114.329 where: short stacking energy: -36.514 Base-Backbone interact. energy: -0.023 local terms energy: -55.803829 where: bonds (distance) C4'-P energy: -8.366 bonds (distance) P-C4' energy: -10.819 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -9.656 tors. eta vs tors. theta energy: -13.383 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: 7, replica: 10 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -170.443583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.443583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.443583 (E_RNA) where: Base-Base interactions energy: -116.185 where: short stacking energy: -49.650 Base-Backbone interact. energy: -0.277 local terms energy: -53.981604 where: bonds (distance) C4'-P energy: -13.036 bonds (distance) P-C4' energy: -10.352 flat angles C4'-P-C4' energy: -9.280 flat angles P-C4'-P energy: -10.181 tors. eta vs tors. theta energy: -11.133 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: 8, replica: 6 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -156.428920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.428920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.428920 (E_RNA) where: Base-Base interactions energy: -107.963 where: short stacking energy: -43.937 Base-Backbone interact. energy: -1.153 local terms energy: -47.312277 where: bonds (distance) C4'-P energy: -13.612 bonds (distance) P-C4' energy: -10.475 flat angles C4'-P-C4' energy: -10.119 flat angles P-C4'-P energy: -1.249 tors. eta vs tors. theta energy: -11.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -66.756404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.756404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.756404 (E_RNA) where: Base-Base interactions energy: -22.854 where: short stacking energy: -22.854 Base-Backbone interact. energy: -0.270 local terms energy: -43.632618 where: bonds (distance) C4'-P energy: -12.227 bonds (distance) P-C4' energy: -12.345 flat angles C4'-P-C4' energy: -9.453 flat angles P-C4'-P energy: -9.014 tors. eta vs tors. theta energy: -0.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -67.693758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.693758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.693758 (E_RNA) where: Base-Base interactions energy: -26.157 where: short stacking energy: -21.431 Base-Backbone interact. energy: 0.994 local terms energy: -42.529961 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -12.755 flat angles C4'-P-C4' energy: -15.107 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -184.640901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.640901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.640901 (E_RNA) where: Base-Base interactions energy: -128.316 where: short stacking energy: -45.062 Base-Backbone interact. energy: -0.488 local terms energy: -55.836870 where: bonds (distance) C4'-P energy: -11.533 bonds (distance) P-C4' energy: -12.743 flat angles C4'-P-C4' energy: -9.221 flat angles P-C4'-P energy: -10.226 tors. eta vs tors. theta energy: -12.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -184.905347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.905347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.905347 (E_RNA) where: Base-Base interactions energy: -118.275 where: short stacking energy: -48.223 Base-Backbone interact. energy: -0.001 local terms energy: -66.629004 where: bonds (distance) C4'-P energy: -12.000 bonds (distance) P-C4' energy: -13.319 flat angles C4'-P-C4' energy: -13.106 flat angles P-C4'-P energy: -11.080 tors. eta vs tors. theta energy: -17.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -180.130188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.130188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.130188 (E_RNA) where: Base-Base interactions energy: -123.444 where: short stacking energy: -45.489 Base-Backbone interact. energy: -0.017 local terms energy: -56.669229 where: bonds (distance) C4'-P energy: -13.628 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -10.591 flat angles P-C4'-P energy: -7.919 tors. eta vs tors. theta energy: -10.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -187.769568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.769568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.769568 (E_RNA) where: Base-Base interactions energy: -133.749 where: short stacking energy: -50.052 Base-Backbone interact. energy: -0.341 local terms energy: -53.678970 where: bonds (distance) C4'-P energy: -11.695 bonds (distance) P-C4' energy: -9.615 flat angles C4'-P-C4' energy: -11.861 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -15.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -179.376708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.376708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.376708 (E_RNA) where: Base-Base interactions energy: -124.009 where: short stacking energy: -51.345 Base-Backbone interact. energy: -0.003 local terms energy: -55.364772 where: bonds (distance) C4'-P energy: -9.848 bonds (distance) P-C4' energy: -11.908 flat angles C4'-P-C4' energy: -13.465 flat angles P-C4'-P energy: -7.109 tors. eta vs tors. theta energy: -13.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -172.588474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.588474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.588474 (E_RNA) where: Base-Base interactions energy: -119.108 where: short stacking energy: -50.696 Base-Backbone interact. energy: 2.849 local terms energy: -56.329505 where: bonds (distance) C4'-P energy: -9.864 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -11.175 flat angles P-C4'-P energy: -8.502 tors. eta vs tors. theta energy: -13.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -164.871775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.871775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.871775 (E_RNA) where: Base-Base interactions energy: -111.257 where: short stacking energy: -36.303 Base-Backbone interact. energy: -0.065 local terms energy: -53.550322 where: bonds (distance) C4'-P energy: -11.409 bonds (distance) P-C4' energy: -12.571 flat angles C4'-P-C4' energy: -9.404 flat angles P-C4'-P energy: -8.714 tors. eta vs tors. theta energy: -11.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -159.314165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.314165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.314165 (E_RNA) where: Base-Base interactions energy: -106.498 where: short stacking energy: -40.064 Base-Backbone interact. energy: -0.054 local terms energy: -52.761928 where: bonds (distance) C4'-P energy: -11.483 bonds (distance) P-C4' energy: -12.038 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -11.840 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: 5 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -64.425495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.425495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.425495 (E_RNA) where: Base-Base interactions energy: -26.187 where: short stacking energy: -19.785 Base-Backbone interact. energy: -0.018 local terms energy: -38.220786 where: bonds (distance) C4'-P energy: -7.645 bonds (distance) P-C4' energy: -9.634 flat angles C4'-P-C4' energy: -9.784 flat angles P-C4'-P energy: -7.512 tors. eta vs tors. theta energy: -3.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -56.649050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.649050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.649050 (E_RNA) where: Base-Base interactions energy: -28.312 where: short stacking energy: -7.539 Base-Backbone interact. energy: 3.410 local terms energy: -31.747152 where: bonds (distance) C4'-P energy: -13.185 bonds (distance) P-C4' energy: -9.602 flat angles C4'-P-C4' energy: -2.117 flat angles P-C4'-P energy: -7.201 tors. eta vs tors. theta energy: 0.358 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: 1, replica: 3 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -186.963942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.963942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.963942 (E_RNA) where: Base-Base interactions energy: -126.205 where: short stacking energy: -45.534 Base-Backbone interact. energy: -0.222 local terms energy: -60.536462 where: bonds (distance) C4'-P energy: -11.197 bonds (distance) P-C4' energy: -13.518 flat angles C4'-P-C4' energy: -12.444 flat angles P-C4'-P energy: -11.481 tors. eta vs tors. theta energy: -11.897 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: 2, replica: 2 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -181.659088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.659088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.659088 (E_RNA) where: Base-Base interactions energy: -125.346 where: short stacking energy: -46.824 Base-Backbone interact. energy: -0.006 local terms energy: -56.307450 where: bonds (distance) C4'-P energy: -10.974 bonds (distance) P-C4' energy: -12.774 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -11.475 tors. eta vs tors. theta energy: -14.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -179.634349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.634349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.634349 (E_RNA) where: Base-Base interactions energy: -122.149 where: short stacking energy: -49.159 Base-Backbone interact. energy: -0.023 local terms energy: -57.462442 where: bonds (distance) C4'-P energy: -14.108 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -10.811 flat angles P-C4'-P energy: -5.700 tors. eta vs tors. theta energy: -13.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -189.986109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.986109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.986109 (E_RNA) where: Base-Base interactions energy: -129.347 where: short stacking energy: -52.882 Base-Backbone interact. energy: -0.000 local terms energy: -60.639117 where: bonds (distance) C4'-P energy: -11.023 bonds (distance) P-C4' energy: -8.846 flat angles C4'-P-C4' energy: -12.437 flat angles P-C4'-P energy: -11.312 tors. eta vs tors. theta energy: -17.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -178.306490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.306490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.306490 (E_RNA) where: Base-Base interactions energy: -119.150 where: short stacking energy: -45.621 Base-Backbone interact. energy: -0.007 local terms energy: -59.149931 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -11.315 flat angles C4'-P-C4' energy: -8.592 flat angles P-C4'-P energy: -9.337 tors. eta vs tors. theta energy: -16.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -175.339484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.339484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.339484 (E_RNA) where: Base-Base interactions energy: -125.681 where: short stacking energy: -48.270 Base-Backbone interact. energy: -0.001 local terms energy: -49.657931 where: bonds (distance) C4'-P energy: -6.068 bonds (distance) P-C4' energy: -11.641 flat angles C4'-P-C4' energy: -10.747 flat angles P-C4'-P energy: -8.235 tors. eta vs tors. theta energy: -12.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -166.778805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.778805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.778805 (E_RNA) where: Base-Base interactions energy: -109.007 where: short stacking energy: -41.675 Base-Backbone interact. energy: -0.406 local terms energy: -57.366218 where: bonds (distance) C4'-P energy: -13.657 bonds (distance) P-C4' energy: -10.850 flat angles C4'-P-C4' energy: -11.299 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: -14.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -167.248012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.248012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.248012 (E_RNA) where: Base-Base interactions energy: -116.473 where: short stacking energy: -48.565 Base-Backbone interact. energy: -0.837 local terms energy: -49.938688 where: bonds (distance) C4'-P energy: -6.383 bonds (distance) P-C4' energy: -12.364 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -8.259 tors. eta vs tors. theta energy: -14.910 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: 469 Temperature: 1.300000 Total energy: -69.419660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.419660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.419660 (E_RNA) where: Base-Base interactions energy: -29.884 where: short stacking energy: -25.585 Base-Backbone interact. energy: -0.138 local terms energy: -39.398510 where: bonds (distance) C4'-P energy: -9.617 bonds (distance) P-C4' energy: -9.907 flat angles C4'-P-C4' energy: -11.708 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -58.906483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.906483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.906483 (E_RNA) where: Base-Base interactions energy: -19.873 where: short stacking energy: -17.582 Base-Backbone interact. energy: -0.110 local terms energy: -38.923983 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -11.347 flat angles P-C4'-P energy: -6.533 tors. eta vs tors. theta energy: 0.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -184.293388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.293388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.293388 (E_RNA) where: Base-Base interactions energy: -127.491 where: short stacking energy: -53.857 Base-Backbone interact. energy: -0.007 local terms energy: -56.795380 where: bonds (distance) C4'-P energy: -12.530 bonds (distance) P-C4' energy: -10.842 flat angles C4'-P-C4' energy: -9.506 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -17.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -182.419326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.419326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.419326 (E_RNA) where: Base-Base interactions energy: -121.236 where: short stacking energy: -51.982 Base-Backbone interact. energy: 0.587 local terms energy: -61.770367 where: bonds (distance) C4'-P energy: -11.711 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -11.905 flat angles P-C4'-P energy: -7.313 tors. eta vs tors. theta energy: -15.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -183.225227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.225227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.225227 (E_RNA) where: Base-Base interactions energy: -123.779 where: short stacking energy: -55.534 Base-Backbone interact. energy: -0.005 local terms energy: -59.441222 where: bonds (distance) C4'-P energy: -10.342 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -12.248 flat angles P-C4'-P energy: -6.727 tors. eta vs tors. theta energy: -15.475 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: 4, replica: 1 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -181.020973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.020973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.020973 (E_RNA) where: Base-Base interactions energy: -125.493 where: short stacking energy: -51.911 Base-Backbone interact. energy: 0.443 local terms energy: -55.970767 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -9.579 flat angles C4'-P-C4' energy: -12.566 flat angles P-C4'-P energy: -9.854 tors. eta vs tors. theta energy: -11.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -179.071350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.071350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.071350 (E_RNA) where: Base-Base interactions energy: -124.001 where: short stacking energy: -51.073 Base-Backbone interact. energy: -0.099 local terms energy: -54.971118 where: bonds (distance) C4'-P energy: -10.626 bonds (distance) P-C4' energy: -12.380 flat angles C4'-P-C4' energy: -11.084 flat angles P-C4'-P energy: -6.946 tors. eta vs tors. theta energy: -13.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -181.624561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.624561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.624561 (E_RNA) where: Base-Base interactions energy: -121.508 where: short stacking energy: -51.484 Base-Backbone interact. energy: -0.635 local terms energy: -59.482254 where: bonds (distance) C4'-P energy: -12.022 bonds (distance) P-C4' energy: -10.570 flat angles C4'-P-C4' energy: -11.248 flat angles P-C4'-P energy: -10.896 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: 7, replica: 10 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -170.608524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.608524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.608524 (E_RNA) where: Base-Base interactions energy: -116.331 where: short stacking energy: -45.001 Base-Backbone interact. energy: -0.002 local terms energy: -54.275767 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -12.886 flat angles P-C4'-P energy: -5.614 tors. eta vs tors. theta energy: -11.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -164.175737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.175737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.175737 (E_RNA) where: Base-Base interactions energy: -108.976 where: short stacking energy: -44.101 Base-Backbone interact. energy: -0.394 local terms energy: -54.805207 where: bonds (distance) C4'-P energy: -12.030 bonds (distance) P-C4' energy: -12.790 flat angles C4'-P-C4' energy: -12.552 flat angles P-C4'-P energy: -7.697 tors. eta vs tors. theta energy: -9.736 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: 470 Temperature: 1.300000 Total energy: -63.929021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.929021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.929021 (E_RNA) where: Base-Base interactions energy: -31.204 where: short stacking energy: -31.204 Base-Backbone interact. energy: -0.279 local terms energy: -32.446222 where: bonds (distance) C4'-P energy: -7.533 bonds (distance) P-C4' energy: -9.922 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -3.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -69.113671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.113671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.113671 (E_RNA) where: Base-Base interactions energy: -31.904 where: short stacking energy: -30.088 Base-Backbone interact. energy: -0.134 local terms energy: -37.076193 where: bonds (distance) C4'-P energy: -7.264 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -7.664 flat angles P-C4'-P energy: -6.854 tors. eta vs tors. theta energy: -2.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -189.892197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.892197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.892197 (E_RNA) where: Base-Base interactions energy: -135.889 where: short stacking energy: -46.750 Base-Backbone interact. energy: 0.942 local terms energy: -54.945219 where: bonds (distance) C4'-P energy: -14.447 bonds (distance) P-C4' energy: -9.989 flat angles C4'-P-C4' energy: -13.239 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -12.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -194.186905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.186905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.186905 (E_RNA) where: Base-Base interactions energy: -134.863 where: short stacking energy: -51.949 Base-Backbone interact. energy: -0.035 local terms energy: -59.289547 where: bonds (distance) C4'-P energy: -10.867 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -14.188 flat angles P-C4'-P energy: -5.483 tors. eta vs tors. theta energy: -14.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -183.693827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.693827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.693827 (E_RNA) where: Base-Base interactions energy: -131.754 where: short stacking energy: -57.422 Base-Backbone interact. energy: -0.616 local terms energy: -51.323715 where: bonds (distance) C4'-P energy: -10.641 bonds (distance) P-C4' energy: -9.015 flat angles C4'-P-C4' energy: -10.089 flat angles P-C4'-P energy: -6.497 tors. eta vs tors. theta energy: -15.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -180.019507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.019507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.019507 (E_RNA) where: Base-Base interactions energy: -115.337 where: short stacking energy: -49.186 Base-Backbone interact. energy: -0.014 local terms energy: -64.668648 where: bonds (distance) C4'-P energy: -13.735 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -10.867 flat angles P-C4'-P energy: -9.680 tors. eta vs tors. theta energy: -16.322 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: 471 Temperature: 1.100000 Total energy: -176.196867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.196867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.196867 (E_RNA) where: Base-Base interactions energy: -113.570 where: short stacking energy: -43.938 Base-Backbone interact. energy: -1.398 local terms energy: -61.228823 where: bonds (distance) C4'-P energy: -10.291 bonds (distance) P-C4' energy: -13.684 flat angles C4'-P-C4' energy: -13.045 flat angles P-C4'-P energy: -8.464 tors. eta vs tors. theta energy: -15.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -167.405531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.405531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.405531 (E_RNA) where: Base-Base interactions energy: -113.444 where: short stacking energy: -47.802 Base-Backbone interact. energy: -0.066 local terms energy: -53.895769 where: bonds (distance) C4'-P energy: -12.403 bonds (distance) P-C4' energy: -12.907 flat angles C4'-P-C4' energy: -14.359 flat angles P-C4'-P energy: -2.660 tors. eta vs tors. theta energy: -11.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -166.358880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.358880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.358880 (E_RNA) where: Base-Base interactions energy: -109.530 where: short stacking energy: -40.643 Base-Backbone interact. energy: -0.109 local terms energy: -56.720058 where: bonds (distance) C4'-P energy: -12.066 bonds (distance) P-C4' energy: -12.829 flat angles C4'-P-C4' energy: -12.694 flat angles P-C4'-P energy: -8.127 tors. eta vs tors. theta energy: -11.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -157.017097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.017097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.017097 (E_RNA) where: Base-Base interactions energy: -111.590 where: short stacking energy: -47.026 Base-Backbone interact. energy: -0.348 local terms energy: -45.078525 where: bonds (distance) C4'-P energy: -8.887 bonds (distance) P-C4' energy: -7.588 flat angles C4'-P-C4' energy: -11.059 flat angles P-C4'-P energy: -6.767 tors. eta vs tors. theta energy: -10.776 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: 7 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -68.866837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.866837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.866837 (E_RNA) where: Base-Base interactions energy: -25.171 where: short stacking energy: -21.297 Base-Backbone interact. energy: -0.298 local terms energy: -43.398548 where: bonds (distance) C4'-P energy: -10.122 bonds (distance) P-C4' energy: -9.716 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -9.133 tors. eta vs tors. theta energy: -1.051 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: 5 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -64.995770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.995770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.995770 (E_RNA) where: Base-Base interactions energy: -25.636 where: short stacking energy: -25.623 Base-Backbone interact. energy: -0.699 local terms energy: -38.660683 where: bonds (distance) C4'-P energy: -10.312 bonds (distance) P-C4' energy: -12.290 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -8.098 tors. eta vs tors. theta energy: -1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -193.329411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.329411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.329411 (E_RNA) where: Base-Base interactions energy: -129.359 where: short stacking energy: -45.441 Base-Backbone interact. energy: -0.095 local terms energy: -63.875412 where: bonds (distance) C4'-P energy: -13.251 bonds (distance) P-C4' energy: -12.312 flat angles C4'-P-C4' energy: -12.587 flat angles P-C4'-P energy: -8.887 tors. eta vs tors. theta energy: -16.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -187.913780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.913780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.913780 (E_RNA) where: Base-Base interactions energy: -122.963 where: short stacking energy: -49.084 Base-Backbone interact. energy: -0.423 local terms energy: -64.527495 where: bonds (distance) C4'-P energy: -12.757 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -13.840 flat angles P-C4'-P energy: -8.261 tors. eta vs tors. theta energy: -15.083 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: 8 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -186.260424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.260424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.260424 (E_RNA) where: Base-Base interactions energy: -127.276 where: short stacking energy: -47.344 Base-Backbone interact. energy: -0.127 local terms energy: -58.857010 where: bonds (distance) C4'-P energy: -9.282 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -8.212 tors. eta vs tors. theta energy: -13.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -180.175681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.175681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.175681 (E_RNA) where: Base-Base interactions energy: -121.842 where: short stacking energy: -49.157 Base-Backbone interact. energy: -0.204 local terms energy: -58.129567 where: bonds (distance) C4'-P energy: -12.861 bonds (distance) P-C4' energy: -11.585 flat angles C4'-P-C4' energy: -9.975 flat angles P-C4'-P energy: -10.087 tors. eta vs tors. theta energy: -13.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -184.456112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.456112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.456112 (E_RNA) where: Base-Base interactions energy: -126.077 where: short stacking energy: -54.642 Base-Backbone interact. energy: -0.000 local terms energy: -58.378578 where: bonds (distance) C4'-P energy: -12.030 bonds (distance) P-C4' energy: -7.853 flat angles C4'-P-C4' energy: -14.399 flat angles P-C4'-P energy: -6.957 tors. eta vs tors. theta energy: -17.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -172.712086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.712086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.712086 (E_RNA) where: Base-Base interactions energy: -118.780 where: short stacking energy: -45.815 Base-Backbone interact. energy: -1.362 local terms energy: -52.570450 where: bonds (distance) C4'-P energy: -8.270 bonds (distance) P-C4' energy: -11.937 flat angles C4'-P-C4' energy: -10.588 flat angles P-C4'-P energy: -8.258 tors. eta vs tors. theta energy: -13.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -173.726910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.726910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.726910 (E_RNA) where: Base-Base interactions energy: -121.609 where: short stacking energy: -46.296 Base-Backbone interact. energy: -0.004 local terms energy: -52.113730 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -11.075 flat angles P-C4'-P energy: -9.354 tors. eta vs tors. theta energy: -11.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -172.416262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.416262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.416262 (E_RNA) where: Base-Base interactions energy: -113.599 where: short stacking energy: -44.685 Base-Backbone interact. energy: -0.513 local terms energy: -58.304191 where: bonds (distance) C4'-P energy: -11.616 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -11.792 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -11.075 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: 5 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -66.418873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.418873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.418873 (E_RNA) where: Base-Base interactions energy: -21.552 where: short stacking energy: -20.946 Base-Backbone interact. energy: -0.840 local terms energy: -44.026719 where: bonds (distance) C4'-P energy: -13.081 bonds (distance) P-C4' energy: -11.764 flat angles C4'-P-C4' energy: -11.038 flat angles P-C4'-P energy: -7.357 tors. eta vs tors. theta energy: -0.786 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: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -69.110459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.110459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.110459 (E_RNA) where: Base-Base interactions energy: -33.402 where: short stacking energy: -22.458 Base-Backbone interact. energy: -0.295 local terms energy: -35.413050 where: bonds (distance) C4'-P energy: -13.577 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: -1.582 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: 3 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -188.801325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.801325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.801325 (E_RNA) where: Base-Base interactions energy: -130.748 where: short stacking energy: -50.543 Base-Backbone interact. energy: -0.181 local terms energy: -57.872505 where: bonds (distance) C4'-P energy: -12.451 bonds (distance) P-C4' energy: -9.828 flat angles C4'-P-C4' energy: -14.896 flat angles P-C4'-P energy: -7.740 tors. eta vs tors. theta energy: -12.957 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: 2 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -191.044007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.044007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.044007 (E_RNA) where: Base-Base interactions energy: -128.268 where: short stacking energy: -50.403 Base-Backbone interact. energy: -0.097 local terms energy: -62.678468 where: bonds (distance) C4'-P energy: -12.453 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -12.373 flat angles P-C4'-P energy: -9.689 tors. eta vs tors. theta energy: -15.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -184.724814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.724814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.724814 (E_RNA) where: Base-Base interactions energy: -126.913 where: short stacking energy: -51.012 Base-Backbone interact. energy: -0.015 local terms energy: -57.796954 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -12.263 flat angles C4'-P-C4' energy: -11.519 flat angles P-C4'-P energy: -9.141 tors. eta vs tors. theta energy: -12.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -168.397309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.397309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.397309 (E_RNA) where: Base-Base interactions energy: -108.265 where: short stacking energy: -45.395 Base-Backbone interact. energy: -0.026 local terms energy: -60.105763 where: bonds (distance) C4'-P energy: -11.172 bonds (distance) P-C4' energy: -14.561 flat angles C4'-P-C4' energy: -13.411 flat angles P-C4'-P energy: -10.022 tors. eta vs tors. theta energy: -10.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -173.864767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.864767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.864767 (E_RNA) where: Base-Base interactions energy: -115.988 where: short stacking energy: -36.086 Base-Backbone interact. energy: -0.061 local terms energy: -57.816364 where: bonds (distance) C4'-P energy: -12.865 bonds (distance) P-C4' energy: -13.402 flat angles C4'-P-C4' energy: -13.197 flat angles P-C4'-P energy: -7.401 tors. eta vs tors. theta energy: -10.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -172.841552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.841552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.841552 (E_RNA) where: Base-Base interactions energy: -113.166 where: short stacking energy: -43.664 Base-Backbone interact. energy: -0.009 local terms energy: -59.666380 where: bonds (distance) C4'-P energy: -9.873 bonds (distance) P-C4' energy: -12.440 flat angles C4'-P-C4' energy: -14.722 flat angles P-C4'-P energy: -8.852 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: 7, replica: 1 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -162.210828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.210828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.210828 (E_RNA) where: Base-Base interactions energy: -109.541 where: short stacking energy: -41.658 Base-Backbone interact. energy: 0.804 local terms energy: -53.473817 where: bonds (distance) C4'-P energy: -11.399 bonds (distance) P-C4' energy: -7.895 flat angles C4'-P-C4' energy: -11.487 flat angles P-C4'-P energy: -9.183 tors. eta vs tors. theta energy: -13.510 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: 9 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -156.023368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.023368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.023368 (E_RNA) where: Base-Base interactions energy: -106.829 where: short stacking energy: -42.411 Base-Backbone interact. energy: -0.073 local terms energy: -49.121095 where: bonds (distance) C4'-P energy: -10.389 bonds (distance) P-C4' energy: -13.364 flat angles C4'-P-C4' energy: -10.497 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -10.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -65.348104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.348104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.348104 (E_RNA) where: Base-Base interactions energy: -25.483 where: short stacking energy: -24.639 Base-Backbone interact. energy: -0.193 local terms energy: -39.672726 where: bonds (distance) C4'-P energy: -8.081 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -9.376 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -64.364196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.364196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.364196 (E_RNA) where: Base-Base interactions energy: -24.868 where: short stacking energy: -19.362 Base-Backbone interact. energy: -0.000 local terms energy: -39.495996 where: bonds (distance) C4'-P energy: -12.129 bonds (distance) P-C4' energy: -7.765 flat angles C4'-P-C4' energy: -11.408 flat angles P-C4'-P energy: -7.013 tors. eta vs tors. theta energy: -1.181 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: 2 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -187.655436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.655436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.655436 (E_RNA) where: Base-Base interactions energy: -127.355 where: short stacking energy: -54.212 Base-Backbone interact. energy: -0.172 local terms energy: -60.128492 where: bonds (distance) C4'-P energy: -10.772 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -14.438 flat angles P-C4'-P energy: -7.751 tors. eta vs tors. theta energy: -14.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -181.019868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.019868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.019868 (E_RNA) where: Base-Base interactions energy: -123.493 where: short stacking energy: -50.975 Base-Backbone interact. energy: -0.000 local terms energy: -57.526519 where: bonds (distance) C4'-P energy: -11.549 bonds (distance) P-C4' energy: -12.060 flat angles C4'-P-C4' energy: -11.079 flat angles P-C4'-P energy: -7.917 tors. eta vs tors. theta energy: -14.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -183.967585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.967585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.967585 (E_RNA) where: Base-Base interactions energy: -127.549 where: short stacking energy: -51.518 Base-Backbone interact. energy: -0.459 local terms energy: -55.959012 where: bonds (distance) C4'-P energy: -11.624 bonds (distance) P-C4' energy: -13.180 flat angles C4'-P-C4' energy: -8.073 flat angles P-C4'-P energy: -5.625 tors. eta vs tors. theta energy: -17.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -177.552897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.552897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.552897 (E_RNA) where: Base-Base interactions energy: -122.381 where: short stacking energy: -48.976 Base-Backbone interact. energy: -0.872 local terms energy: -54.299766 where: bonds (distance) C4'-P energy: -8.934 bonds (distance) P-C4' energy: -11.199 flat angles C4'-P-C4' energy: -12.966 flat angles P-C4'-P energy: -4.773 tors. eta vs tors. theta energy: -16.428 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: 6 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -175.844617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.844617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.844617 (E_RNA) where: Base-Base interactions energy: -119.458 where: short stacking energy: -51.043 Base-Backbone interact. energy: 0.730 local terms energy: -57.116419 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -15.147 flat angles C4'-P-C4' energy: -11.804 flat angles P-C4'-P energy: -10.466 tors. eta vs tors. theta energy: -12.364 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: 6, replica: 4 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -169.400400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.400400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.400400 (E_RNA) where: Base-Base interactions energy: -106.635 where: short stacking energy: -46.280 Base-Backbone interact. energy: -0.002 local terms energy: -62.764070 where: bonds (distance) C4'-P energy: -10.016 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -12.391 flat angles P-C4'-P energy: -9.769 tors. eta vs tors. theta energy: -15.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -174.185734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.185734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.185734 (E_RNA) where: Base-Base interactions energy: -115.939 where: short stacking energy: -45.713 Base-Backbone interact. energy: -0.681 local terms energy: -57.565713 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -8.205 flat angles C4'-P-C4' energy: -12.627 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -15.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -152.192949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.192949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.192949 (E_RNA) where: Base-Base interactions energy: -102.709 where: short stacking energy: -44.013 Base-Backbone interact. energy: -0.304 local terms energy: -49.180432 where: bonds (distance) C4'-P energy: -4.076 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -13.072 flat angles P-C4'-P energy: -7.981 tors. eta vs tors. theta energy: -11.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -70.474074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.474074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.474074 (E_RNA) where: Base-Base interactions energy: -29.187 where: short stacking energy: -29.187 Base-Backbone interact. energy: 0.041 local terms energy: -41.328639 where: bonds (distance) C4'-P energy: -10.716 bonds (distance) P-C4' energy: -9.913 flat angles C4'-P-C4' energy: -12.387 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -3.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -55.865460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.865460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.865460 (E_RNA) where: Base-Base interactions energy: -21.795 where: short stacking energy: -20.883 Base-Backbone interact. energy: -0.542 local terms energy: -33.527984 where: bonds (distance) C4'-P energy: -9.451 bonds (distance) P-C4' energy: -12.227 flat angles C4'-P-C4' energy: -7.916 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: -0.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -192.579207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.579207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.579207 (E_RNA) where: Base-Base interactions energy: -127.487 where: short stacking energy: -56.858 Base-Backbone interact. energy: -0.388 local terms energy: -64.703924 where: bonds (distance) C4'-P energy: -12.377 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -8.245 tors. eta vs tors. theta energy: -18.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -182.638894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.638894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.638894 (E_RNA) where: Base-Base interactions energy: -124.912 where: short stacking energy: -53.536 Base-Backbone interact. energy: -0.005 local terms energy: -57.722497 where: bonds (distance) C4'-P energy: -11.938 bonds (distance) P-C4' energy: -12.466 flat angles C4'-P-C4' energy: -10.560 flat angles P-C4'-P energy: -10.600 tors. eta vs tors. theta energy: -12.158 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: 3 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -182.321297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.321297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.321297 (E_RNA) where: Base-Base interactions energy: -124.842 where: short stacking energy: -44.467 Base-Backbone interact. energy: -0.212 local terms energy: -57.267734 where: bonds (distance) C4'-P energy: -11.384 bonds (distance) P-C4' energy: -9.118 flat angles C4'-P-C4' energy: -13.596 flat angles P-C4'-P energy: -9.190 tors. eta vs tors. theta energy: -13.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -178.812160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.812160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.812160 (E_RNA) where: Base-Base interactions energy: -120.707 where: short stacking energy: -51.525 Base-Backbone interact. energy: -0.001 local terms energy: -58.104188 where: bonds (distance) C4'-P energy: -9.783 bonds (distance) P-C4' energy: -11.327 flat angles C4'-P-C4' energy: -13.161 flat angles P-C4'-P energy: -10.869 tors. eta vs tors. theta energy: -12.964 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: 10 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -175.774152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.774152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.774152 (E_RNA) where: Base-Base interactions energy: -112.628 where: short stacking energy: -48.976 Base-Backbone interact. energy: -0.000 local terms energy: -63.145713 where: bonds (distance) C4'-P energy: -11.007 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -14.986 flat angles P-C4'-P energy: -9.969 tors. eta vs tors. theta energy: -14.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -172.067323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.067323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.067323 (E_RNA) where: Base-Base interactions energy: -114.771 where: short stacking energy: -43.555 Base-Backbone interact. energy: -0.578 local terms energy: -56.718674 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -12.204 flat angles C4'-P-C4' energy: -9.576 flat angles P-C4'-P energy: -7.433 tors. eta vs tors. theta energy: -13.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -172.354823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.354823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.354823 (E_RNA) where: Base-Base interactions energy: -116.032 where: short stacking energy: -49.745 Base-Backbone interact. energy: -0.122 local terms energy: -56.201231 where: bonds (distance) C4'-P energy: -12.866 bonds (distance) P-C4' energy: -11.045 flat angles C4'-P-C4' energy: -11.341 flat angles P-C4'-P energy: -6.833 tors. eta vs tors. theta energy: -14.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -153.330532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.330532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.330532 (E_RNA) where: Base-Base interactions energy: -113.303 where: short stacking energy: -47.038 Base-Backbone interact. energy: -0.002 local terms energy: -40.025832 where: bonds (distance) C4'-P energy: -11.169 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -7.001 flat angles P-C4'-P energy: -7.626 tors. eta vs tors. theta energy: -7.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -76.846659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.846659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.846659 (E_RNA) where: Base-Base interactions energy: -37.926 where: short stacking energy: -33.554 Base-Backbone interact. energy: -0.129 local terms energy: -38.792069 where: bonds (distance) C4'-P energy: -10.071 bonds (distance) P-C4' energy: -8.213 flat angles C4'-P-C4' energy: -10.670 flat angles P-C4'-P energy: -3.399 tors. eta vs tors. theta energy: -6.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -64.163844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.163844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.163844 (E_RNA) where: Base-Base interactions energy: -27.337 where: short stacking energy: -27.337 Base-Backbone interact. energy: -0.071 local terms energy: -36.755447 where: bonds (distance) C4'-P energy: -9.075 bonds (distance) P-C4' energy: -4.299 flat angles C4'-P-C4' energy: -9.086 flat angles P-C4'-P energy: -7.183 tors. eta vs tors. theta energy: -7.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -190.548260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.548260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.548260 (E_RNA) where: Base-Base interactions energy: -127.889 where: short stacking energy: -47.030 Base-Backbone interact. energy: -1.149 local terms energy: -61.509948 where: bonds (distance) C4'-P energy: -10.619 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -14.473 flat angles P-C4'-P energy: -8.506 tors. eta vs tors. theta energy: -13.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -186.292215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.292215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.292215 (E_RNA) where: Base-Base interactions energy: -125.584 where: short stacking energy: -52.388 Base-Backbone interact. energy: -0.358 local terms energy: -60.350454 where: bonds (distance) C4'-P energy: -13.342 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -10.866 flat angles P-C4'-P energy: -7.378 tors. eta vs tors. theta energy: -15.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -183.837785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.837785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.837785 (E_RNA) where: Base-Base interactions energy: -124.235 where: short stacking energy: -49.455 Base-Backbone interact. energy: -0.798 local terms energy: -58.804450 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -12.475 flat angles C4'-P-C4' energy: -11.167 flat angles P-C4'-P energy: -9.943 tors. eta vs tors. theta energy: -12.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -179.616413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.616413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.616413 (E_RNA) where: Base-Base interactions energy: -121.751 where: short stacking energy: -51.203 Base-Backbone interact. energy: -0.008 local terms energy: -57.857247 where: bonds (distance) C4'-P energy: -10.866 bonds (distance) P-C4' energy: -14.024 flat angles C4'-P-C4' energy: -12.462 flat angles P-C4'-P energy: -7.296 tors. eta vs tors. theta energy: -13.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -177.396720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.396720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.396720 (E_RNA) where: Base-Base interactions energy: -125.108 where: short stacking energy: -49.449 Base-Backbone interact. energy: -0.006 local terms energy: -52.282793 where: bonds (distance) C4'-P energy: -11.225 bonds (distance) P-C4' energy: -11.931 flat angles C4'-P-C4' energy: -10.861 flat angles P-C4'-P energy: -6.568 tors. eta vs tors. theta energy: -11.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -167.759249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.759249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.759249 (E_RNA) where: Base-Base interactions energy: -118.769 where: short stacking energy: -48.638 Base-Backbone interact. energy: -0.010 local terms energy: -48.981205 where: bonds (distance) C4'-P energy: -8.945 bonds (distance) P-C4' energy: -10.351 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -9.699 tors. eta vs tors. theta energy: -13.888 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: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -163.702032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.702032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.702032 (E_RNA) where: Base-Base interactions energy: -108.948 where: short stacking energy: -47.686 Base-Backbone interact. energy: -0.090 local terms energy: -54.664086 where: bonds (distance) C4'-P energy: -9.958 bonds (distance) P-C4' energy: -9.920 flat angles C4'-P-C4' energy: -11.392 flat angles P-C4'-P energy: -8.321 tors. eta vs tors. theta energy: -15.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -170.245398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.245398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.245398 (E_RNA) where: Base-Base interactions energy: -114.204 where: short stacking energy: -49.674 Base-Backbone interact. energy: -0.078 local terms energy: -55.963239 where: bonds (distance) C4'-P energy: -11.856 bonds (distance) P-C4' energy: -10.384 flat angles C4'-P-C4' energy: -13.220 flat angles P-C4'-P energy: -7.675 tors. eta vs tors. theta energy: -12.827 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: 5 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -65.196509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.196509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.196509 (E_RNA) where: Base-Base interactions energy: -18.947 where: short stacking energy: -18.947 Base-Backbone interact. energy: 0.183 local terms energy: -46.432493 where: bonds (distance) C4'-P energy: -14.910 bonds (distance) P-C4' energy: -15.799 flat angles C4'-P-C4' energy: -14.457 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: 2.630 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: 10, replica: 7 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -59.114373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.114373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.114373 (E_RNA) where: Base-Base interactions energy: -27.694 where: short stacking energy: -25.659 Base-Backbone interact. energy: -0.395 local terms energy: -31.024918 where: bonds (distance) C4'-P energy: -13.623 bonds (distance) P-C4' energy: -8.638 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -192.329111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.329111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.329111 (E_RNA) where: Base-Base interactions energy: -129.308 where: short stacking energy: -51.969 Base-Backbone interact. energy: -0.019 local terms energy: -63.001760 where: bonds (distance) C4'-P energy: -12.192 bonds (distance) P-C4' energy: -11.650 flat angles C4'-P-C4' energy: -12.805 flat angles P-C4'-P energy: -10.243 tors. eta vs tors. theta energy: -16.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -184.187780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.187780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.187780 (E_RNA) where: Base-Base interactions energy: -123.452 where: short stacking energy: -43.052 Base-Backbone interact. energy: 1.187 local terms energy: -61.922267 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -12.831 flat angles C4'-P-C4' energy: -13.154 flat angles P-C4'-P energy: -8.455 tors. eta vs tors. theta energy: -15.184 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: 8 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -176.334508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.334508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.334508 (E_RNA) where: Base-Base interactions energy: -119.050 where: short stacking energy: -43.801 Base-Backbone interact. energy: -0.140 local terms energy: -57.144125 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -11.266 flat angles C4'-P-C4' energy: -12.661 flat angles P-C4'-P energy: -7.580 tors. eta vs tors. theta energy: -13.529 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: 1 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -180.174805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.174805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.174805 (E_RNA) where: Base-Base interactions energy: -120.861 where: short stacking energy: -51.519 Base-Backbone interact. energy: -0.081 local terms energy: -59.232690 where: bonds (distance) C4'-P energy: -11.007 bonds (distance) P-C4' energy: -11.700 flat angles C4'-P-C4' energy: -12.357 flat angles P-C4'-P energy: -9.787 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: 5, replica: 6 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -180.862820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.862820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.862820 (E_RNA) where: Base-Base interactions energy: -115.895 where: short stacking energy: -44.646 Base-Backbone interact. energy: -1.064 local terms energy: -63.903334 where: bonds (distance) C4'-P energy: -12.359 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -8.704 tors. eta vs tors. theta energy: -14.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -172.325188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.325188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.325188 (E_RNA) where: Base-Base interactions energy: -120.309 where: short stacking energy: -44.046 Base-Backbone interact. energy: -0.107 local terms energy: -51.909284 where: bonds (distance) C4'-P energy: -12.316 bonds (distance) P-C4' energy: -10.390 flat angles C4'-P-C4' energy: -10.938 flat angles P-C4'-P energy: -7.327 tors. eta vs tors. theta energy: -10.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -168.326658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.326658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.326658 (E_RNA) where: Base-Base interactions energy: -114.122 where: short stacking energy: -46.514 Base-Backbone interact. energy: -0.871 local terms energy: -53.334076 where: bonds (distance) C4'-P energy: -9.623 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -10.599 flat angles P-C4'-P energy: -9.657 tors. eta vs tors. theta energy: -11.413 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: 477 Temperature: 1.250000 Total energy: -167.718286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.718286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.718286 (E_RNA) where: Base-Base interactions energy: -114.629 where: short stacking energy: -47.335 Base-Backbone interact. energy: -0.107 local terms energy: -52.982773 where: bonds (distance) C4'-P energy: -12.940 bonds (distance) P-C4' energy: -6.730 flat angles C4'-P-C4' energy: -11.249 flat angles P-C4'-P energy: -11.412 tors. eta vs tors. theta energy: -10.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -71.841300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.841300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.841300 (E_RNA) where: Base-Base interactions energy: -24.036 where: short stacking energy: -24.036 Base-Backbone interact. energy: -0.254 local terms energy: -47.551994 where: bonds (distance) C4'-P energy: -14.973 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -12.747 flat angles P-C4'-P energy: -7.117 tors. eta vs tors. theta energy: -0.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -57.975439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.975439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.975439 (E_RNA) where: Base-Base interactions energy: -19.436 where: short stacking energy: -14.947 Base-Backbone interact. energy: -0.277 local terms energy: -38.262829 where: bonds (distance) C4'-P energy: -11.082 bonds (distance) P-C4' energy: -11.545 flat angles C4'-P-C4' energy: -11.726 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: 4.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -188.302434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.302434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.302434 (E_RNA) where: Base-Base interactions energy: -129.372 where: short stacking energy: -51.171 Base-Backbone interact. energy: -0.001 local terms energy: -58.929793 where: bonds (distance) C4'-P energy: -13.995 bonds (distance) P-C4' energy: -9.220 flat angles C4'-P-C4' energy: -14.380 flat angles P-C4'-P energy: -7.863 tors. eta vs tors. theta energy: -13.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -190.353197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.353197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.353197 (E_RNA) where: Base-Base interactions energy: -125.790 where: short stacking energy: -54.577 Base-Backbone interact. energy: -0.004 local terms energy: -64.559230 where: bonds (distance) C4'-P energy: -12.377 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -14.227 flat angles P-C4'-P energy: -7.771 tors. eta vs tors. theta energy: -15.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -180.351004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.351004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.351004 (E_RNA) where: Base-Base interactions energy: -124.313 where: short stacking energy: -47.171 Base-Backbone interact. energy: -0.067 local terms energy: -55.971212 where: bonds (distance) C4'-P energy: -11.727 bonds (distance) P-C4' energy: -14.107 flat angles C4'-P-C4' energy: -8.926 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -16.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -180.746616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.746616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.746616 (E_RNA) where: Base-Base interactions energy: -117.689 where: short stacking energy: -42.321 Base-Backbone interact. energy: -0.392 local terms energy: -62.665528 where: bonds (distance) C4'-P energy: -11.206 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -13.594 flat angles P-C4'-P energy: -11.398 tors. eta vs tors. theta energy: -12.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -177.282869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.282869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.282869 (E_RNA) where: Base-Base interactions energy: -121.622 where: short stacking energy: -46.849 Base-Backbone interact. energy: -0.244 local terms energy: -55.416103 where: bonds (distance) C4'-P energy: -8.480 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -11.459 flat angles P-C4'-P energy: -8.610 tors. eta vs tors. theta energy: -12.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -170.409787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.409787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.409787 (E_RNA) where: Base-Base interactions energy: -107.038 where: short stacking energy: -40.979 Base-Backbone interact. energy: 0.413 local terms energy: -63.784621 where: bonds (distance) C4'-P energy: -14.116 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -13.143 flat angles P-C4'-P energy: -9.557 tors. eta vs tors. theta energy: -13.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -171.258545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.258545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.258545 (E_RNA) where: Base-Base interactions energy: -118.202 where: short stacking energy: -40.542 Base-Backbone interact. energy: -0.198 local terms energy: -52.858711 where: bonds (distance) C4'-P energy: -11.019 bonds (distance) P-C4' energy: -9.985 flat angles C4'-P-C4' energy: -10.987 flat angles P-C4'-P energy: -6.738 tors. eta vs tors. theta energy: -14.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -173.960537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.960537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.960537 (E_RNA) where: Base-Base interactions energy: -117.694 where: short stacking energy: -43.958 Base-Backbone interact. energy: -0.412 local terms energy: -55.855148 where: bonds (distance) C4'-P energy: -11.704 bonds (distance) P-C4' energy: -8.681 flat angles C4'-P-C4' energy: -11.807 flat angles P-C4'-P energy: -9.840 tors. eta vs tors. theta energy: -13.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -62.174916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.174916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.174916 (E_RNA) where: Base-Base interactions energy: -21.885 where: short stacking energy: -19.320 Base-Backbone interact. energy: -1.176 local terms energy: -39.113950 where: bonds (distance) C4'-P energy: -13.175 bonds (distance) P-C4' energy: -11.484 flat angles C4'-P-C4' energy: -13.827 flat angles P-C4'-P energy: 0.257 tors. eta vs tors. theta energy: -0.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -62.133359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.133359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.133359 (E_RNA) where: Base-Base interactions energy: -22.524 where: short stacking energy: -12.505 Base-Backbone interact. energy: -0.141 local terms energy: -39.467906 where: bonds (distance) C4'-P energy: -8.399 bonds (distance) P-C4' energy: -13.187 flat angles C4'-P-C4' energy: -9.248 flat angles P-C4'-P energy: -7.481 tors. eta vs tors. theta energy: -1.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -186.785999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.785999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.785999 (E_RNA) where: Base-Base interactions energy: -123.080 where: short stacking energy: -46.983 Base-Backbone interact. energy: -0.001 local terms energy: -63.705752 where: bonds (distance) C4'-P energy: -13.391 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -10.929 flat angles P-C4'-P energy: -10.527 tors. eta vs tors. theta energy: -15.644 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: 2, replica: 1 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -182.660588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.660588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.660588 (E_RNA) where: Base-Base interactions energy: -125.274 where: short stacking energy: -53.320 Base-Backbone interact. energy: -0.722 local terms energy: -56.664539 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -12.566 flat angles C4'-P-C4' energy: -14.565 flat angles P-C4'-P energy: -9.264 tors. eta vs tors. theta energy: -15.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -186.572434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.572434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.572434 (E_RNA) where: Base-Base interactions energy: -131.523 where: short stacking energy: -53.527 Base-Backbone interact. energy: -0.067 local terms energy: -54.983099 where: bonds (distance) C4'-P energy: -11.145 bonds (distance) P-C4' energy: -12.021 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -7.601 tors. eta vs tors. theta energy: -12.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -180.298849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.298849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.298849 (E_RNA) where: Base-Base interactions energy: -124.530 where: short stacking energy: -50.820 Base-Backbone interact. energy: -0.126 local terms energy: -55.643274 where: bonds (distance) C4'-P energy: -11.074 bonds (distance) P-C4' energy: -13.300 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: -15.033 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: 9 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -177.877444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.877444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.877444 (E_RNA) where: Base-Base interactions energy: -123.818 where: short stacking energy: -51.800 Base-Backbone interact. energy: -0.221 local terms energy: -53.838735 where: bonds (distance) C4'-P energy: -9.271 bonds (distance) P-C4' energy: -10.042 flat angles C4'-P-C4' energy: -12.473 flat angles P-C4'-P energy: -8.308 tors. eta vs tors. theta energy: -13.744 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: 6, replica: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -171.269626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.269626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.269626 (E_RNA) where: Base-Base interactions energy: -112.892 where: short stacking energy: -43.025 Base-Backbone interact. energy: -0.013 local terms energy: -58.364118 where: bonds (distance) C4'-P energy: -12.531 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -13.692 flat angles P-C4'-P energy: -6.538 tors. eta vs tors. theta energy: -12.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -169.868787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.868787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.868787 (E_RNA) where: Base-Base interactions energy: -112.019 where: short stacking energy: -52.340 Base-Backbone interact. energy: -0.000 local terms energy: -57.849005 where: bonds (distance) C4'-P energy: -10.965 bonds (distance) P-C4' energy: -11.508 flat angles C4'-P-C4' energy: -12.139 flat angles P-C4'-P energy: -8.430 tors. eta vs tors. theta energy: -14.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -175.161034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.161034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.161034 (E_RNA) where: Base-Base interactions energy: -118.171 where: short stacking energy: -51.022 Base-Backbone interact. energy: -0.004 local terms energy: -56.986526 where: bonds (distance) C4'-P energy: -10.709 bonds (distance) P-C4' energy: -12.209 flat angles C4'-P-C4' energy: -12.263 flat angles P-C4'-P energy: -6.163 tors. eta vs tors. theta energy: -15.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -72.491878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.491878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.491878 (E_RNA) where: Base-Base interactions energy: -23.425 where: short stacking energy: -23.425 Base-Backbone interact. energy: -0.353 local terms energy: -48.714023 where: bonds (distance) C4'-P energy: -10.655 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -12.842 flat angles P-C4'-P energy: -9.069 tors. eta vs tors. theta energy: -2.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -59.587099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.587099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.587099 (E_RNA) where: Base-Base interactions energy: -27.705 where: short stacking energy: -9.366 Base-Backbone interact. energy: -0.108 local terms energy: -31.774682 where: bonds (distance) C4'-P energy: -10.581 bonds (distance) P-C4' energy: -10.644 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: 1.115 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: 1, replica: 2 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -187.702107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.702107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.702107 (E_RNA) where: Base-Base interactions energy: -127.435 where: short stacking energy: -55.033 Base-Backbone interact. energy: -0.008 local terms energy: -60.259359 where: bonds (distance) C4'-P energy: -10.675 bonds (distance) P-C4' energy: -12.945 flat angles C4'-P-C4' energy: -13.291 flat angles P-C4'-P energy: -7.460 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: 2, replica: 1 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -188.395222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.395222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.395222 (E_RNA) where: Base-Base interactions energy: -125.072 where: short stacking energy: -51.899 Base-Backbone interact. energy: -0.002 local terms energy: -63.321399 where: bonds (distance) C4'-P energy: -13.247 bonds (distance) P-C4' energy: -10.972 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -9.594 tors. eta vs tors. theta energy: -14.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -180.028829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.028829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.028829 (E_RNA) where: Base-Base interactions energy: -123.723 where: short stacking energy: -53.293 Base-Backbone interact. energy: -0.077 local terms energy: -56.229060 where: bonds (distance) C4'-P energy: -11.177 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -12.738 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -15.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -186.412756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.412756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.412756 (E_RNA) where: Base-Base interactions energy: -130.047 where: short stacking energy: -49.908 Base-Backbone interact. energy: 0.473 local terms energy: -56.838461 where: bonds (distance) C4'-P energy: -9.591 bonds (distance) P-C4' energy: -11.476 flat angles C4'-P-C4' energy: -10.341 flat angles P-C4'-P energy: -10.314 tors. eta vs tors. theta energy: -15.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -181.903796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.903796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.903796 (E_RNA) where: Base-Base interactions energy: -124.582 where: short stacking energy: -47.695 Base-Backbone interact. energy: -0.009 local terms energy: -57.312936 where: bonds (distance) C4'-P energy: -10.046 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -10.239 flat angles P-C4'-P energy: -11.694 tors. eta vs tors. theta energy: -12.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -169.854764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.854764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.854764 (E_RNA) where: Base-Base interactions energy: -113.654 where: short stacking energy: -44.987 Base-Backbone interact. energy: -0.370 local terms energy: -55.830107 where: bonds (distance) C4'-P energy: -8.216 bonds (distance) P-C4' energy: -12.850 flat angles C4'-P-C4' energy: -11.366 flat angles P-C4'-P energy: -10.123 tors. eta vs tors. theta energy: -13.275 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: 6 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -171.269776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.269776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.269776 (E_RNA) where: Base-Base interactions energy: -108.750 where: short stacking energy: -42.029 Base-Backbone interact. energy: -0.111 local terms energy: -62.409060 where: bonds (distance) C4'-P energy: -13.967 bonds (distance) P-C4' energy: -15.573 flat angles C4'-P-C4' energy: -11.141 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: -13.907 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: 8, replica: 10 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -164.492949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.492949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.492949 (E_RNA) where: Base-Base interactions energy: -112.323 where: short stacking energy: -43.049 Base-Backbone interact. energy: -0.085 local terms energy: -52.085103 where: bonds (distance) C4'-P energy: -8.622 bonds (distance) P-C4' energy: -12.167 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -9.865 tors. eta vs tors. theta energy: -13.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -68.426408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.426408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.426408 (E_RNA) where: Base-Base interactions energy: -17.696 where: short stacking energy: -17.126 Base-Backbone interact. energy: -0.048 local terms energy: -50.682793 where: bonds (distance) C4'-P energy: -10.904 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -13.256 flat angles P-C4'-P energy: -8.800 tors. eta vs tors. theta energy: -5.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -64.300465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.300465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.300465 (E_RNA) where: Base-Base interactions energy: -25.360 where: short stacking energy: -20.568 Base-Backbone interact. energy: -0.278 local terms energy: -38.662392 where: bonds (distance) C4'-P energy: -12.498 bonds (distance) P-C4' energy: -7.462 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -8.480 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -187.995893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.995893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.995893 (E_RNA) where: Base-Base interactions energy: -128.314 where: short stacking energy: -54.231 Base-Backbone interact. energy: -0.030 local terms energy: -59.652347 where: bonds (distance) C4'-P energy: -9.156 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -15.038 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -15.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -181.195333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.195333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.195333 (E_RNA) where: Base-Base interactions energy: -125.815 where: short stacking energy: -52.955 Base-Backbone interact. energy: 0.324 local terms energy: -55.704385 where: bonds (distance) C4'-P energy: -12.796 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -9.423 tors. eta vs tors. theta energy: -15.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -188.316248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.316248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.316248 (E_RNA) where: Base-Base interactions energy: -127.934 where: short stacking energy: -50.056 Base-Backbone interact. energy: -0.157 local terms energy: -60.224901 where: bonds (distance) C4'-P energy: -8.074 bonds (distance) P-C4' energy: -13.007 flat angles C4'-P-C4' energy: -14.330 flat angles P-C4'-P energy: -11.328 tors. eta vs tors. theta energy: -13.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -181.998191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.998191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.998191 (E_RNA) where: Base-Base interactions energy: -121.589 where: short stacking energy: -46.679 Base-Backbone interact. energy: -0.003 local terms energy: -60.406859 where: bonds (distance) C4'-P energy: -10.853 bonds (distance) P-C4' energy: -13.534 flat angles C4'-P-C4' energy: -13.156 flat angles P-C4'-P energy: -6.134 tors. eta vs tors. theta energy: -16.731 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: 4 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -174.423107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.423107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.423107 (E_RNA) where: Base-Base interactions energy: -118.438 where: short stacking energy: -53.478 Base-Backbone interact. energy: -0.395 local terms energy: -55.590255 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -11.806 flat angles C4'-P-C4' energy: -12.342 flat angles P-C4'-P energy: -6.128 tors. eta vs tors. theta energy: -13.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -171.138119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.138119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.138119 (E_RNA) where: Base-Base interactions energy: -118.662 where: short stacking energy: -42.915 Base-Backbone interact. energy: -0.096 local terms energy: -52.379887 where: bonds (distance) C4'-P energy: -8.817 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -10.595 flat angles P-C4'-P energy: -6.030 tors. eta vs tors. theta energy: -14.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -164.605292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.605292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.605292 (E_RNA) where: Base-Base interactions energy: -111.892 where: short stacking energy: -41.575 Base-Backbone interact. energy: -0.635 local terms energy: -52.078956 where: bonds (distance) C4'-P energy: -12.054 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -12.506 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: -10.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -161.829062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.829062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.829062 (E_RNA) where: Base-Base interactions energy: -107.831 where: short stacking energy: -44.705 Base-Backbone interact. energy: -0.006 local terms energy: -53.991487 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -11.550 flat angles C4'-P-C4' energy: -8.726 flat angles P-C4'-P energy: -9.563 tors. eta vs tors. theta energy: -12.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -64.487445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.487445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.487445 (E_RNA) where: Base-Base interactions energy: -22.830 where: short stacking energy: -22.830 Base-Backbone interact. energy: -0.146 local terms energy: -41.511917 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -11.775 flat angles C4'-P-C4' energy: -9.238 flat angles P-C4'-P energy: -11.656 tors. eta vs tors. theta energy: 3.046 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: 10, replica: 7 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -58.043571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.043571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.043571 (E_RNA) where: Base-Base interactions energy: -19.160 where: short stacking energy: -19.010 Base-Backbone interact. energy: -0.198 local terms energy: -38.685234 where: bonds (distance) C4'-P energy: -10.365 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -13.374 flat angles P-C4'-P energy: -1.066 tors. eta vs tors. theta energy: 0.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -185.580411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.580411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.580411 (E_RNA) where: Base-Base interactions energy: -118.339 where: short stacking energy: -48.507 Base-Backbone interact. energy: -0.001 local terms energy: -67.240349 where: bonds (distance) C4'-P energy: -14.307 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -13.887 flat angles P-C4'-P energy: -9.191 tors. eta vs tors. theta energy: -16.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -186.069878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.069878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.069878 (E_RNA) where: Base-Base interactions energy: -125.282 where: short stacking energy: -51.338 Base-Backbone interact. energy: -0.776 local terms energy: -60.011098 where: bonds (distance) C4'-P energy: -10.395 bonds (distance) P-C4' energy: -11.820 flat angles C4'-P-C4' energy: -14.468 flat angles P-C4'-P energy: -6.128 tors. eta vs tors. theta energy: -17.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -184.496631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.496631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.496631 (E_RNA) where: Base-Base interactions energy: -125.037 where: short stacking energy: -46.380 Base-Backbone interact. energy: -0.001 local terms energy: -59.458386 where: bonds (distance) C4'-P energy: -12.626 bonds (distance) P-C4' energy: -12.335 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -7.440 tors. eta vs tors. theta energy: -14.375 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: 482 Temperature: 1.050000 Total energy: -177.780347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.780347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.780347 (E_RNA) where: Base-Base interactions energy: -118.069 where: short stacking energy: -37.871 Base-Backbone interact. energy: -0.310 local terms energy: -59.401341 where: bonds (distance) C4'-P energy: -13.790 bonds (distance) P-C4' energy: -13.622 flat angles C4'-P-C4' energy: -13.040 flat angles P-C4'-P energy: -6.653 tors. eta vs tors. theta energy: -12.295 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: 9 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -185.640004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.640004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.640004 (E_RNA) where: Base-Base interactions energy: -123.496 where: short stacking energy: -49.713 Base-Backbone interact. energy: 0.080 local terms energy: -62.224496 where: bonds (distance) C4'-P energy: -10.216 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -11.559 flat angles P-C4'-P energy: -10.612 tors. eta vs tors. theta energy: -15.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -174.927634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.927634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.927634 (E_RNA) where: Base-Base interactions energy: -123.409 where: short stacking energy: -50.776 Base-Backbone interact. energy: -0.141 local terms energy: -51.377492 where: bonds (distance) C4'-P energy: -11.064 bonds (distance) P-C4' energy: -10.358 flat angles C4'-P-C4' energy: -8.789 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -16.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -170.694470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.694470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.694470 (E_RNA) where: Base-Base interactions energy: -115.576 where: short stacking energy: -49.376 Base-Backbone interact. energy: 0.290 local terms energy: -55.407884 where: bonds (distance) C4'-P energy: -13.752 bonds (distance) P-C4' energy: -12.154 flat angles C4'-P-C4' energy: -9.843 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -13.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -171.755928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.755928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.755928 (E_RNA) where: Base-Base interactions energy: -124.512 where: short stacking energy: -49.639 Base-Backbone interact. energy: -0.111 local terms energy: -47.133491 where: bonds (distance) C4'-P energy: -7.853 bonds (distance) P-C4' energy: -10.574 flat angles C4'-P-C4' energy: -9.648 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -15.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -77.191849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.191849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.191849 (E_RNA) where: Base-Base interactions energy: -34.545 where: short stacking energy: -32.105 Base-Backbone interact. energy: -0.293 local terms energy: -42.353702 where: bonds (distance) C4'-P energy: -9.173 bonds (distance) P-C4' energy: -12.208 flat angles C4'-P-C4' energy: -11.525 flat angles P-C4'-P energy: -6.120 tors. eta vs tors. theta energy: -3.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -60.372703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.372703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.372703 (E_RNA) where: Base-Base interactions energy: -24.201 where: short stacking energy: -7.672 Base-Backbone interact. energy: -0.071 local terms energy: -36.100473 where: bonds (distance) C4'-P energy: -10.220 bonds (distance) P-C4' energy: -13.315 flat angles C4'-P-C4' energy: -8.981 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: 0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -190.904506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.904506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.904506 (E_RNA) where: Base-Base interactions energy: -131.656 where: short stacking energy: -54.501 Base-Backbone interact. energy: -0.408 local terms energy: -58.840509 where: bonds (distance) C4'-P energy: -9.417 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -12.288 flat angles P-C4'-P energy: -5.741 tors. eta vs tors. theta energy: -17.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -194.459851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.459851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.459851 (E_RNA) where: Base-Base interactions energy: -133.119 where: short stacking energy: -49.583 Base-Backbone interact. energy: -0.063 local terms energy: -61.277449 where: bonds (distance) C4'-P energy: -14.154 bonds (distance) P-C4' energy: -10.373 flat angles C4'-P-C4' energy: -13.643 flat angles P-C4'-P energy: -8.892 tors. eta vs tors. theta energy: -14.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -186.837045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.837045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.837045 (E_RNA) where: Base-Base interactions energy: -128.112 where: short stacking energy: -48.521 Base-Backbone interact. energy: -0.097 local terms energy: -58.628268 where: bonds (distance) C4'-P energy: -13.073 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -13.991 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -14.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -185.322850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.322850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.322850 (E_RNA) where: Base-Base interactions energy: -126.027 where: short stacking energy: -50.368 Base-Backbone interact. energy: -0.098 local terms energy: -59.197900 where: bonds (distance) C4'-P energy: -8.450 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -14.615 flat angles P-C4'-P energy: -7.435 tors. eta vs tors. theta energy: -16.508 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: 483 Temperature: 1.100000 Total energy: -175.371735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.371735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.371735 (E_RNA) where: Base-Base interactions energy: -116.967 where: short stacking energy: -47.499 Base-Backbone interact. energy: -0.074 local terms energy: -58.330757 where: bonds (distance) C4'-P energy: -9.148 bonds (distance) P-C4' energy: -13.867 flat angles C4'-P-C4' energy: -12.883 flat angles P-C4'-P energy: -7.113 tors. eta vs tors. theta energy: -15.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -177.922607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.922607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.922607 (E_RNA) where: Base-Base interactions energy: -126.566 where: short stacking energy: -49.484 Base-Backbone interact. energy: -0.094 local terms energy: -51.262962 where: bonds (distance) C4'-P energy: -13.122 bonds (distance) P-C4' energy: -8.131 flat angles C4'-P-C4' energy: -14.550 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -11.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -168.438478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.438478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.438478 (E_RNA) where: Base-Base interactions energy: -115.303 where: short stacking energy: -46.788 Base-Backbone interact. energy: -0.003 local terms energy: -53.132180 where: bonds (distance) C4'-P energy: -10.224 bonds (distance) P-C4' energy: -12.789 flat angles C4'-P-C4' energy: -9.313 flat angles P-C4'-P energy: -8.874 tors. eta vs tors. theta energy: -11.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -169.823019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.823019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.823019 (E_RNA) where: Base-Base interactions energy: -114.592 where: short stacking energy: -38.432 Base-Backbone interact. energy: -0.014 local terms energy: -55.217458 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -12.431 flat angles C4'-P-C4' energy: -11.795 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -11.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -70.054618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.054618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.054618 (E_RNA) where: Base-Base interactions energy: -32.527 where: short stacking energy: -14.749 Base-Backbone interact. energy: 1.056 local terms energy: -38.583670 where: bonds (distance) C4'-P energy: -12.306 bonds (distance) P-C4' energy: -11.962 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -6.726 tors. eta vs tors. theta energy: -2.088 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: 10, replica: 5 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -80.876665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.876665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.876665 (E_RNA) where: Base-Base interactions energy: -49.732 where: short stacking energy: -17.970 Base-Backbone interact. energy: -0.468 local terms energy: -30.677104 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -12.100 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -5.177 tors. eta vs tors. theta energy: -1.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -192.722732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.722732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.722732 (E_RNA) where: Base-Base interactions energy: -132.892 where: short stacking energy: -54.867 Base-Backbone interact. energy: -0.090 local terms energy: -59.741178 where: bonds (distance) C4'-P energy: -12.390 bonds (distance) P-C4' energy: -11.868 flat angles C4'-P-C4' energy: -15.187 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -15.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -186.565704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.565704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.565704 (E_RNA) where: Base-Base interactions energy: -127.655 where: short stacking energy: -50.628 Base-Backbone interact. energy: -0.397 local terms energy: -58.514094 where: bonds (distance) C4'-P energy: -10.325 bonds (distance) P-C4' energy: -14.217 flat angles C4'-P-C4' energy: -14.260 flat angles P-C4'-P energy: -6.574 tors. eta vs tors. theta energy: -13.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -184.352680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.352680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.352680 (E_RNA) where: Base-Base interactions energy: -126.448 where: short stacking energy: -54.105 Base-Backbone interact. energy: -0.013 local terms energy: -57.892212 where: bonds (distance) C4'-P energy: -13.666 bonds (distance) P-C4' energy: -11.362 flat angles C4'-P-C4' energy: -11.158 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -14.238 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: 484 Temperature: 1.050000 Total energy: -189.089115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.089115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.089115 (E_RNA) where: Base-Base interactions energy: -122.671 where: short stacking energy: -52.364 Base-Backbone interact. energy: 0.015 local terms energy: -66.432911 where: bonds (distance) C4'-P energy: -13.072 bonds (distance) P-C4' energy: -13.604 flat angles C4'-P-C4' energy: -11.485 flat angles P-C4'-P energy: -11.692 tors. eta vs tors. theta energy: -16.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -171.907412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.907412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.907412 (E_RNA) where: Base-Base interactions energy: -118.416 where: short stacking energy: -46.189 Base-Backbone interact. energy: -1.306 local terms energy: -52.185157 where: bonds (distance) C4'-P energy: -7.131 bonds (distance) P-C4' energy: -13.606 flat angles C4'-P-C4' energy: -9.706 flat angles P-C4'-P energy: -7.479 tors. eta vs tors. theta energy: -14.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -170.154784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.154784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.154784 (E_RNA) where: Base-Base interactions energy: -116.939 where: short stacking energy: -49.994 Base-Backbone interact. energy: -0.578 local terms energy: -52.637380 where: bonds (distance) C4'-P energy: -11.289 bonds (distance) P-C4' energy: -10.309 flat angles C4'-P-C4' energy: -11.248 flat angles P-C4'-P energy: -8.475 tors. eta vs tors. theta energy: -11.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -173.361684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.361684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.361684 (E_RNA) where: Base-Base interactions energy: -123.061 where: short stacking energy: -53.616 Base-Backbone interact. energy: -0.001 local terms energy: -50.299868 where: bonds (distance) C4'-P energy: -11.401 bonds (distance) P-C4' energy: -7.668 flat angles C4'-P-C4' energy: -11.993 flat angles P-C4'-P energy: -6.999 tors. eta vs tors. theta energy: -12.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -159.444814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.444814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.444814 (E_RNA) where: Base-Base interactions energy: -103.116 where: short stacking energy: -39.281 Base-Backbone interact. energy: -0.185 local terms energy: -56.143915 where: bonds (distance) C4'-P energy: -11.072 bonds (distance) P-C4' energy: -13.566 flat angles C4'-P-C4' energy: -10.233 flat angles P-C4'-P energy: -9.616 tors. eta vs tors. theta energy: -11.657 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: 484 Temperature: 1.300000 Total energy: -71.515785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.515785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.515785 (E_RNA) where: Base-Base interactions energy: -29.546 where: short stacking energy: -27.921 Base-Backbone interact. energy: 1.908 local terms energy: -43.877759 where: bonds (distance) C4'-P energy: -10.809 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -9.727 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -5.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -66.452566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.452566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.452566 (E_RNA) where: Base-Base interactions energy: -34.369 where: short stacking energy: -15.819 Base-Backbone interact. energy: -0.418 local terms energy: -31.665258 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -8.343 flat angles C4'-P-C4' energy: -8.487 flat angles P-C4'-P energy: -8.789 tors. eta vs tors. theta energy: 0.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -194.619989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.619989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.619989 (E_RNA) where: Base-Base interactions energy: -136.345 where: short stacking energy: -55.658 Base-Backbone interact. energy: -0.002 local terms energy: -58.272747 where: bonds (distance) C4'-P energy: -10.486 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -14.875 flat angles P-C4'-P energy: -6.528 tors. eta vs tors. theta energy: -13.358 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: 1 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -185.224501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.224501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.224501 (E_RNA) where: Base-Base interactions energy: -124.188 where: short stacking energy: -45.309 Base-Backbone interact. energy: -0.115 local terms energy: -60.920972 where: bonds (distance) C4'-P energy: -11.864 bonds (distance) P-C4' energy: -12.490 flat angles C4'-P-C4' energy: -11.487 flat angles P-C4'-P energy: -9.528 tors. eta vs tors. theta energy: -15.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -180.639392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.639392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.639392 (E_RNA) where: Base-Base interactions energy: -122.872 where: short stacking energy: -45.178 Base-Backbone interact. energy: -0.263 local terms energy: -57.504472 where: bonds (distance) C4'-P energy: -11.263 bonds (distance) P-C4' energy: -12.334 flat angles C4'-P-C4' energy: -14.536 flat angles P-C4'-P energy: -6.257 tors. eta vs tors. theta energy: -13.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -176.816177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.816177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.816177 (E_RNA) where: Base-Base interactions energy: -130.334 where: short stacking energy: -49.909 Base-Backbone interact. energy: 0.205 local terms energy: -46.686637 where: bonds (distance) C4'-P energy: -7.285 bonds (distance) P-C4' energy: -6.148 flat angles C4'-P-C4' energy: -12.225 flat angles P-C4'-P energy: -6.548 tors. eta vs tors. theta energy: -14.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -180.109060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.109060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.109060 (E_RNA) where: Base-Base interactions energy: -121.612 where: short stacking energy: -50.561 Base-Backbone interact. energy: -0.576 local terms energy: -57.920726 where: bonds (distance) C4'-P energy: -11.213 bonds (distance) P-C4' energy: -11.413 flat angles C4'-P-C4' energy: -13.356 flat angles P-C4'-P energy: -8.248 tors. eta vs tors. theta energy: -13.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -171.634445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.634445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.634445 (E_RNA) where: Base-Base interactions energy: -115.778 where: short stacking energy: -47.360 Base-Backbone interact. energy: -0.102 local terms energy: -55.755230 where: bonds (distance) C4'-P energy: -14.153 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -12.517 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -10.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -158.630755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.630755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.630755 (E_RNA) where: Base-Base interactions energy: -105.783 where: short stacking energy: -38.336 Base-Backbone interact. energy: -0.776 local terms energy: -52.072558 where: bonds (distance) C4'-P energy: -10.721 bonds (distance) P-C4' energy: -11.037 flat angles C4'-P-C4' energy: -14.015 flat angles P-C4'-P energy: -8.657 tors. eta vs tors. theta energy: -7.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -170.289625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.289625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.289625 (E_RNA) where: Base-Base interactions energy: -120.430 where: short stacking energy: -44.681 Base-Backbone interact. energy: -0.008 local terms energy: -49.850940 where: bonds (distance) C4'-P energy: -11.080 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -10.878 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -11.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -67.674072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.674072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.674072 (E_RNA) where: Base-Base interactions energy: -23.430 where: short stacking energy: -19.224 Base-Backbone interact. energy: -0.133 local terms energy: -44.110990 where: bonds (distance) C4'-P energy: -8.523 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -9.563 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: -2.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -62.905432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.905432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.905432 (E_RNA) where: Base-Base interactions energy: -19.772 where: short stacking energy: -19.772 Base-Backbone interact. energy: -0.093 local terms energy: -43.039931 where: bonds (distance) C4'-P energy: -13.785 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -10.588 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: 0.472 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: 1, replica: 1 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -186.808436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.808436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.808436 (E_RNA) where: Base-Base interactions energy: -125.118 where: short stacking energy: -51.197 Base-Backbone interact. energy: -0.372 local terms energy: -61.318286 where: bonds (distance) C4'-P energy: -13.549 bonds (distance) P-C4' energy: -11.284 flat angles C4'-P-C4' energy: -14.596 flat angles P-C4'-P energy: -5.483 tors. eta vs tors. theta energy: -16.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -190.009208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.009208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.009208 (E_RNA) where: Base-Base interactions energy: -134.529 where: short stacking energy: -55.782 Base-Backbone interact. energy: 0.970 local terms energy: -56.450035 where: bonds (distance) C4'-P energy: -11.736 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -9.789 flat angles P-C4'-P energy: -5.190 tors. eta vs tors. theta energy: -15.573 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: 4 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -179.490804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.490804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.490804 (E_RNA) where: Base-Base interactions energy: -124.369 where: short stacking energy: -50.616 Base-Backbone interact. energy: -0.001 local terms energy: -55.121023 where: bonds (distance) C4'-P energy: -12.376 bonds (distance) P-C4' energy: -9.799 flat angles C4'-P-C4' energy: -13.022 flat angles P-C4'-P energy: -6.881 tors. eta vs tors. theta energy: -13.044 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: 486 Temperature: 1.050000 Total energy: -177.165568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.165568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.165568 (E_RNA) where: Base-Base interactions energy: -121.864 where: short stacking energy: -52.007 Base-Backbone interact. energy: -0.757 local terms energy: -54.544555 where: bonds (distance) C4'-P energy: -7.985 bonds (distance) P-C4' energy: -13.169 flat angles C4'-P-C4' energy: -13.401 flat angles P-C4'-P energy: -8.439 tors. eta vs tors. theta energy: -11.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -172.480142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.480142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.480142 (E_RNA) where: Base-Base interactions energy: -119.879 where: short stacking energy: -43.911 Base-Backbone interact. energy: -0.500 local terms energy: -52.100682 where: bonds (distance) C4'-P energy: -8.826 bonds (distance) P-C4' energy: -13.843 flat angles C4'-P-C4' energy: -10.078 flat angles P-C4'-P energy: -7.121 tors. eta vs tors. theta energy: -12.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -176.924489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.924489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.924489 (E_RNA) where: Base-Base interactions energy: -121.613 where: short stacking energy: -49.538 Base-Backbone interact. energy: -0.613 local terms energy: -54.699178 where: bonds (distance) C4'-P energy: -10.358 bonds (distance) P-C4' energy: -9.555 flat angles C4'-P-C4' energy: -10.294 flat angles P-C4'-P energy: -9.544 tors. eta vs tors. theta energy: -14.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -172.909273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.909273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.909273 (E_RNA) where: Base-Base interactions energy: -117.679 where: short stacking energy: -45.685 Base-Backbone interact. energy: -0.077 local terms energy: -55.153111 where: bonds (distance) C4'-P energy: -10.213 bonds (distance) P-C4' energy: -11.908 flat angles C4'-P-C4' energy: -13.254 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -15.087 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: 9 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -163.254778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.254778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.254778 (E_RNA) where: Base-Base interactions energy: -105.397 where: short stacking energy: -44.247 Base-Backbone interact. energy: -0.193 local terms energy: -57.664492 where: bonds (distance) C4'-P energy: -13.382 bonds (distance) P-C4' energy: -8.367 flat angles C4'-P-C4' energy: -12.932 flat angles P-C4'-P energy: -10.948 tors. eta vs tors. theta energy: -12.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -69.079014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.079014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.079014 (E_RNA) where: Base-Base interactions energy: -31.535 where: short stacking energy: -32.256 Base-Backbone interact. energy: -0.025 local terms energy: -37.518679 where: bonds (distance) C4'-P energy: -9.222 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -6.737 tors. eta vs tors. theta energy: -2.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -67.108407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.108407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.108407 (E_RNA) where: Base-Base interactions energy: -27.413 where: short stacking energy: -23.924 Base-Backbone interact. energy: 4.511 local terms energy: -44.206043 where: bonds (distance) C4'-P energy: -10.676 bonds (distance) P-C4' energy: -13.604 flat angles C4'-P-C4' energy: -9.891 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -3.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -190.004421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.004421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.004421 (E_RNA) where: Base-Base interactions energy: -124.773 where: short stacking energy: -54.946 Base-Backbone interact. energy: -0.657 local terms energy: -64.574363 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -13.579 flat angles P-C4'-P energy: -7.672 tors. eta vs tors. theta energy: -15.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -186.762749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.762749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.762749 (E_RNA) where: Base-Base interactions energy: -131.365 where: short stacking energy: -51.063 Base-Backbone interact. energy: -0.512 local terms energy: -54.885927 where: bonds (distance) C4'-P energy: -12.120 bonds (distance) P-C4' energy: -9.625 flat angles C4'-P-C4' energy: -11.331 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -16.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -183.807937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.807937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.807937 (E_RNA) where: Base-Base interactions energy: -125.500 where: short stacking energy: -51.936 Base-Backbone interact. energy: -0.010 local terms energy: -58.297863 where: bonds (distance) C4'-P energy: -11.811 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -8.495 flat angles P-C4'-P energy: -10.315 tors. eta vs tors. theta energy: -13.843 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: 10 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -177.328487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.328487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.328487 (E_RNA) where: Base-Base interactions energy: -121.020 where: short stacking energy: -48.488 Base-Backbone interact. energy: -0.857 local terms energy: -55.451139 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -11.416 flat angles C4'-P-C4' energy: -10.081 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -12.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -173.500654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.500654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.500654 (E_RNA) where: Base-Base interactions energy: -114.355 where: short stacking energy: -47.828 Base-Backbone interact. energy: -0.090 local terms energy: -59.056110 where: bonds (distance) C4'-P energy: -11.855 bonds (distance) P-C4' energy: -11.871 flat angles C4'-P-C4' energy: -14.750 flat angles P-C4'-P energy: -6.659 tors. eta vs tors. theta energy: -13.921 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: 6, replica: 6 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -174.050576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.050576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.050576 (E_RNA) where: Base-Base interactions energy: -113.574 where: short stacking energy: -47.137 Base-Backbone interact. energy: -0.657 local terms energy: -59.819655 where: bonds (distance) C4'-P energy: -14.050 bonds (distance) P-C4' energy: -12.764 flat angles C4'-P-C4' energy: -13.006 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -14.866 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: 7, replica: 8 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -166.640985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.640985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.640985 (E_RNA) where: Base-Base interactions energy: -112.291 where: short stacking energy: -39.194 Base-Backbone interact. energy: -0.053 local terms energy: -54.296515 where: bonds (distance) C4'-P energy: -9.025 bonds (distance) P-C4' energy: -12.322 flat angles C4'-P-C4' energy: -12.905 flat angles P-C4'-P energy: -8.788 tors. eta vs tors. theta energy: -11.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -162.833682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.833682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.833682 (E_RNA) where: Base-Base interactions energy: -113.097 where: short stacking energy: -51.249 Base-Backbone interact. energy: -0.035 local terms energy: -49.700910 where: bonds (distance) C4'-P energy: -10.199 bonds (distance) P-C4' energy: -8.831 flat angles C4'-P-C4' energy: -11.669 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -13.696 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: 487 Temperature: 1.300000 Total energy: -60.186268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.186268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.186268 (E_RNA) where: Base-Base interactions energy: -17.814 where: short stacking energy: -18.174 Base-Backbone interact. energy: -0.095 local terms energy: -42.277690 where: bonds (distance) C4'-P energy: -10.059 bonds (distance) P-C4' energy: -10.704 flat angles C4'-P-C4' energy: -8.609 flat angles P-C4'-P energy: -7.542 tors. eta vs tors. theta energy: -5.364 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: 5 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -64.213175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.213175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.213175 (E_RNA) where: Base-Base interactions energy: -26.152 where: short stacking energy: -23.940 Base-Backbone interact. energy: -0.031 local terms energy: -38.030389 where: bonds (distance) C4'-P energy: -10.238 bonds (distance) P-C4' energy: -12.125 flat angles C4'-P-C4' energy: -11.567 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: 0.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -186.834625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.834625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.834625 (E_RNA) where: Base-Base interactions energy: -125.912 where: short stacking energy: -52.810 Base-Backbone interact. energy: -1.236 local terms energy: -59.687490 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -11.958 flat angles C4'-P-C4' energy: -11.118 flat angles P-C4'-P energy: -10.703 tors. eta vs tors. theta energy: -13.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -184.839259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.839259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.839259 (E_RNA) where: Base-Base interactions energy: -124.870 where: short stacking energy: -52.702 Base-Backbone interact. energy: 0.403 local terms energy: -60.371527 where: bonds (distance) C4'-P energy: -12.853 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -11.783 flat angles P-C4'-P energy: -8.732 tors. eta vs tors. theta energy: -16.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -181.936639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.936639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.936639 (E_RNA) where: Base-Base interactions energy: -124.228 where: short stacking energy: -51.016 Base-Backbone interact. energy: -0.003 local terms energy: -57.705727 where: bonds (distance) C4'-P energy: -13.333 bonds (distance) P-C4' energy: -9.529 flat angles C4'-P-C4' energy: -12.250 flat angles P-C4'-P energy: -8.824 tors. eta vs tors. theta energy: -13.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -179.903923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.903923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.903923 (E_RNA) where: Base-Base interactions energy: -122.772 where: short stacking energy: -45.093 Base-Backbone interact. energy: -0.234 local terms energy: -56.898614 where: bonds (distance) C4'-P energy: -12.149 bonds (distance) P-C4' energy: -12.879 flat angles C4'-P-C4' energy: -12.101 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -16.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -181.331299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.331299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.331299 (E_RNA) where: Base-Base interactions energy: -121.316 where: short stacking energy: -50.119 Base-Backbone interact. energy: -0.500 local terms energy: -59.515307 where: bonds (distance) C4'-P energy: -12.042 bonds (distance) P-C4' energy: -9.728 flat angles C4'-P-C4' energy: -12.860 flat angles P-C4'-P energy: -10.620 tors. eta vs tors. theta energy: -14.265 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: 3 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -175.190261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.190261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.190261 (E_RNA) where: Base-Base interactions energy: -117.548 where: short stacking energy: -46.119 Base-Backbone interact. energy: -1.000 local terms energy: -56.641826 where: bonds (distance) C4'-P energy: -6.398 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -9.629 tors. eta vs tors. theta energy: -14.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -169.543822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.543822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.543822 (E_RNA) where: Base-Base interactions energy: -116.344 where: short stacking energy: -46.693 Base-Backbone interact. energy: -0.118 local terms energy: -53.081847 where: bonds (distance) C4'-P energy: -11.906 bonds (distance) P-C4' energy: -12.798 flat angles C4'-P-C4' energy: -10.442 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -14.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -163.721849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.721849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.721849 (E_RNA) where: Base-Base interactions energy: -105.214 where: short stacking energy: -43.184 Base-Backbone interact. energy: -0.067 local terms energy: -58.441677 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -11.330 flat angles P-C4'-P energy: -8.133 tors. eta vs tors. theta energy: -12.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -72.140571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.140571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.140571 (E_RNA) where: Base-Base interactions energy: -33.977 where: short stacking energy: -16.549 Base-Backbone interact. energy: -0.094 local terms energy: -38.069581 where: bonds (distance) C4'-P energy: -8.809 bonds (distance) P-C4' energy: -10.021 flat angles C4'-P-C4' energy: -13.889 flat angles P-C4'-P energy: -5.899 tors. eta vs tors. theta energy: 0.549 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: 488 Temperature: 1.350000 Total energy: -67.447566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.447566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.447566 (E_RNA) where: Base-Base interactions energy: -25.220 where: short stacking energy: -21.929 Base-Backbone interact. energy: -0.138 local terms energy: -42.090034 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -9.277 tors. eta vs tors. theta energy: -3.648 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: 2 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -193.362687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.362687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.362687 (E_RNA) where: Base-Base interactions energy: -131.794 where: short stacking energy: -54.209 Base-Backbone interact. energy: -0.005 local terms energy: -61.564214 where: bonds (distance) C4'-P energy: -10.792 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -11.501 flat angles P-C4'-P energy: -6.358 tors. eta vs tors. theta energy: -17.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -187.599562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.599562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.599562 (E_RNA) where: Base-Base interactions energy: -129.498 where: short stacking energy: -51.948 Base-Backbone interact. energy: -0.062 local terms energy: -58.039672 where: bonds (distance) C4'-P energy: -10.949 bonds (distance) P-C4' energy: -11.746 flat angles C4'-P-C4' energy: -12.167 flat angles P-C4'-P energy: -10.390 tors. eta vs tors. theta energy: -12.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -187.195445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.195445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.195445 (E_RNA) where: Base-Base interactions energy: -127.319 where: short stacking energy: -49.279 Base-Backbone interact. energy: -0.001 local terms energy: -59.875112 where: bonds (distance) C4'-P energy: -14.170 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -10.126 flat angles P-C4'-P energy: -6.727 tors. eta vs tors. theta energy: -13.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -177.134484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.134484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.134484 (E_RNA) where: Base-Base interactions energy: -112.951 where: short stacking energy: -43.480 Base-Backbone interact. energy: -0.022 local terms energy: -64.161173 where: bonds (distance) C4'-P energy: -13.672 bonds (distance) P-C4' energy: -13.118 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -8.270 tors. eta vs tors. theta energy: -15.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -175.364972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.364972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.364972 (E_RNA) where: Base-Base interactions energy: -114.788 where: short stacking energy: -44.931 Base-Backbone interact. energy: -0.101 local terms energy: -60.476574 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -12.458 flat angles P-C4'-P energy: -6.229 tors. eta vs tors. theta energy: -14.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -174.439608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.439608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.439608 (E_RNA) where: Base-Base interactions energy: -122.325 where: short stacking energy: -47.415 Base-Backbone interact. energy: -0.005 local terms energy: -52.110105 where: bonds (distance) C4'-P energy: -12.998 bonds (distance) P-C4' energy: -10.063 flat angles C4'-P-C4' energy: -10.091 flat angles P-C4'-P energy: -7.842 tors. eta vs tors. theta energy: -11.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -163.987189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.987189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.987189 (E_RNA) where: Base-Base interactions energy: -112.727 where: short stacking energy: -43.875 Base-Backbone interact. energy: -0.065 local terms energy: -51.194704 where: bonds (distance) C4'-P energy: -11.508 bonds (distance) P-C4' energy: -10.026 flat angles C4'-P-C4' energy: -9.389 flat angles P-C4'-P energy: -7.916 tors. eta vs tors. theta energy: -12.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -167.095515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.095515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.095515 (E_RNA) where: Base-Base interactions energy: -109.520 where: short stacking energy: -46.502 Base-Backbone interact. energy: -0.020 local terms energy: -57.555736 where: bonds (distance) C4'-P energy: -12.973 bonds (distance) P-C4' energy: -10.605 flat angles C4'-P-C4' energy: -12.866 flat angles P-C4'-P energy: -10.651 tors. eta vs tors. theta energy: -10.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -58.381282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.381282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.381282 (E_RNA) where: Base-Base interactions energy: -20.565 where: short stacking energy: -20.401 Base-Backbone interact. energy: -0.073 local terms energy: -37.743494 where: bonds (distance) C4'-P energy: -7.981 bonds (distance) P-C4' energy: -9.212 flat angles C4'-P-C4' energy: -11.946 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -3.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -75.526794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.526794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.526794 (E_RNA) where: Base-Base interactions energy: -32.223 where: short stacking energy: -18.862 Base-Backbone interact. energy: -0.105 local terms energy: -43.198742 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -8.729 flat angles P-C4'-P energy: -5.781 tors. eta vs tors. theta energy: -2.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -193.234148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.234148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.234148 (E_RNA) where: Base-Base interactions energy: -132.700 where: short stacking energy: -53.972 Base-Backbone interact. energy: -0.001 local terms energy: -60.533199 where: bonds (distance) C4'-P energy: -11.198 bonds (distance) P-C4' energy: -11.436 flat angles C4'-P-C4' energy: -11.271 flat angles P-C4'-P energy: -10.708 tors. eta vs tors. theta energy: -15.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -183.772036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.772036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.772036 (E_RNA) where: Base-Base interactions energy: -127.041 where: short stacking energy: -45.693 Base-Backbone interact. energy: -0.107 local terms energy: -56.624275 where: bonds (distance) C4'-P energy: -13.123 bonds (distance) P-C4' energy: -12.761 flat angles C4'-P-C4' energy: -9.908 flat angles P-C4'-P energy: -7.623 tors. eta vs tors. theta energy: -13.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -181.159935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.159935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.159935 (E_RNA) where: Base-Base interactions energy: -126.283 where: short stacking energy: -47.555 Base-Backbone interact. energy: -0.047 local terms energy: -54.829433 where: bonds (distance) C4'-P energy: -13.367 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -11.901 flat angles P-C4'-P energy: -3.905 tors. eta vs tors. theta energy: -12.547 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: 6 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -180.870154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.870154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.870154 (E_RNA) where: Base-Base interactions energy: -117.240 where: short stacking energy: -46.738 Base-Backbone interact. energy: -0.689 local terms energy: -62.940779 where: bonds (distance) C4'-P energy: -12.726 bonds (distance) P-C4' energy: -12.160 flat angles C4'-P-C4' energy: -12.154 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -15.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -172.993640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.993640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.993640 (E_RNA) where: Base-Base interactions energy: -114.666 where: short stacking energy: -48.208 Base-Backbone interact. energy: -0.699 local terms energy: -57.629053 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -13.836 flat angles C4'-P-C4' energy: -12.366 flat angles P-C4'-P energy: -8.701 tors. eta vs tors. theta energy: -13.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -175.126415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.126415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.126415 (E_RNA) where: Base-Base interactions energy: -121.381 where: short stacking energy: -48.561 Base-Backbone interact. energy: -0.034 local terms energy: -53.712234 where: bonds (distance) C4'-P energy: -11.838 bonds (distance) P-C4' energy: -11.021 flat angles C4'-P-C4' energy: -12.799 flat angles P-C4'-P energy: -6.606 tors. eta vs tors. theta energy: -11.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -169.192820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.192820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.192820 (E_RNA) where: Base-Base interactions energy: -110.488 where: short stacking energy: -42.865 Base-Backbone interact. energy: -0.498 local terms energy: -58.206879 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -10.850 flat angles C4'-P-C4' energy: -12.344 flat angles P-C4'-P energy: -8.347 tors. eta vs tors. theta energy: -13.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -167.940523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.940523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.940523 (E_RNA) where: Base-Base interactions energy: -116.487 where: short stacking energy: -43.634 Base-Backbone interact. energy: -0.000 local terms energy: -51.453070 where: bonds (distance) C4'-P energy: -12.112 bonds (distance) P-C4' energy: -12.389 flat angles C4'-P-C4' energy: -10.771 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -12.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -68.317836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.317836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.317836 (E_RNA) where: Base-Base interactions energy: -31.851 where: short stacking energy: -24.546 Base-Backbone interact. energy: -0.015 local terms energy: -36.451872 where: bonds (distance) C4'-P energy: -10.410 bonds (distance) P-C4' energy: -11.656 flat angles C4'-P-C4' energy: -10.465 flat angles P-C4'-P energy: -2.737 tors. eta vs tors. theta energy: -1.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -59.451855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.451855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.451855 (E_RNA) where: Base-Base interactions energy: -26.495 where: short stacking energy: -16.286 Base-Backbone interact. energy: -0.771 local terms energy: -32.185258 where: bonds (distance) C4'-P energy: -10.526 bonds (distance) P-C4' energy: -9.772 flat angles C4'-P-C4' energy: -10.439 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: 2.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -190.195863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.195863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.195863 (E_RNA) where: Base-Base interactions energy: -130.631 where: short stacking energy: -50.742 Base-Backbone interact. energy: -0.203 local terms energy: -59.362471 where: bonds (distance) C4'-P energy: -11.855 bonds (distance) P-C4' energy: -15.147 flat angles C4'-P-C4' energy: -13.043 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -14.608 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: 1 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -188.547889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.547889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.547889 (E_RNA) where: Base-Base interactions energy: -127.772 where: short stacking energy: -49.934 Base-Backbone interact. energy: -0.244 local terms energy: -60.532743 where: bonds (distance) C4'-P energy: -13.479 bonds (distance) P-C4' energy: -11.795 flat angles C4'-P-C4' energy: -11.312 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -15.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -188.858646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.858646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.858646 (E_RNA) where: Base-Base interactions energy: -128.531 where: short stacking energy: -51.491 Base-Backbone interact. energy: -0.008 local terms energy: -60.319724 where: bonds (distance) C4'-P energy: -11.567 bonds (distance) P-C4' energy: -12.440 flat angles C4'-P-C4' energy: -11.698 flat angles P-C4'-P energy: -8.055 tors. eta vs tors. theta energy: -16.560 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: 8 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -183.261173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.261173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.261173 (E_RNA) where: Base-Base interactions energy: -128.064 where: short stacking energy: -50.309 Base-Backbone interact. energy: -0.000 local terms energy: -55.196922 where: bonds (distance) C4'-P energy: -9.351 bonds (distance) P-C4' energy: -12.910 flat angles C4'-P-C4' energy: -12.392 flat angles P-C4'-P energy: -5.345 tors. eta vs tors. theta energy: -15.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -173.733811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.733811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.733811 (E_RNA) where: Base-Base interactions energy: -114.650 where: short stacking energy: -42.613 Base-Backbone interact. energy: -0.020 local terms energy: -59.063696 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -14.447 flat angles P-C4'-P energy: -5.751 tors. eta vs tors. theta energy: -14.496 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: 6, replica: 9 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -166.211926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.211926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.211926 (E_RNA) where: Base-Base interactions energy: -112.410 where: short stacking energy: -43.357 Base-Backbone interact. energy: -0.601 local terms energy: -53.200619 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -9.856 flat angles C4'-P-C4' energy: -13.294 flat angles P-C4'-P energy: -6.491 tors. eta vs tors. theta energy: -12.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -168.972173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.972173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.972173 (E_RNA) where: Base-Base interactions energy: -113.960 where: short stacking energy: -44.987 Base-Backbone interact. energy: 0.949 local terms energy: -55.961150 where: bonds (distance) C4'-P energy: -10.088 bonds (distance) P-C4' energy: -11.746 flat angles C4'-P-C4' energy: -14.544 flat angles P-C4'-P energy: -6.960 tors. eta vs tors. theta energy: -12.623 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: 3 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -169.297928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.297928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.297928 (E_RNA) where: Base-Base interactions energy: -110.971 where: short stacking energy: -48.694 Base-Backbone interact. energy: -1.075 local terms energy: -57.251528 where: bonds (distance) C4'-P energy: -9.095 bonds (distance) P-C4' energy: -11.923 flat angles C4'-P-C4' energy: -12.039 flat angles P-C4'-P energy: -7.762 tors. eta vs tors. theta energy: -16.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -68.956736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.956736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.956736 (E_RNA) where: Base-Base interactions energy: -32.316 where: short stacking energy: -32.316 Base-Backbone interact. energy: -0.003 local terms energy: -36.637497 where: bonds (distance) C4'-P energy: -12.847 bonds (distance) P-C4' energy: -13.040 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -2.099 tors. eta vs tors. theta energy: -0.855 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: 5 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -69.420929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.420929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.420929 (E_RNA) where: Base-Base interactions energy: -30.538 where: short stacking energy: -28.931 Base-Backbone interact. energy: 0.665 local terms energy: -39.548237 where: bonds (distance) C4'-P energy: -7.662 bonds (distance) P-C4' energy: -11.057 flat angles C4'-P-C4' energy: -10.545 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -5.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -188.994635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.994635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.994635 (E_RNA) where: Base-Base interactions energy: -131.119 where: short stacking energy: -52.160 Base-Backbone interact. energy: -0.092 local terms energy: -57.783127 where: bonds (distance) C4'-P energy: -7.931 bonds (distance) P-C4' energy: -12.410 flat angles C4'-P-C4' energy: -14.025 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -17.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -183.358058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.358058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.358058 (E_RNA) where: Base-Base interactions energy: -123.592 where: short stacking energy: -44.073 Base-Backbone interact. energy: -0.005 local terms energy: -59.761265 where: bonds (distance) C4'-P energy: -13.330 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -11.005 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: -13.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -182.013001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.013001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.013001 (E_RNA) where: Base-Base interactions energy: -125.632 where: short stacking energy: -53.578 Base-Backbone interact. energy: -0.164 local terms energy: -56.216747 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -11.755 flat angles P-C4'-P energy: -2.984 tors. eta vs tors. theta energy: -16.418 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: 2 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -181.544391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.544391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.544391 (E_RNA) where: Base-Base interactions energy: -119.006 where: short stacking energy: -52.277 Base-Backbone interact. energy: -0.036 local terms energy: -62.501761 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -9.234 tors. eta vs tors. theta energy: -15.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -174.581087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.581087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.581087 (E_RNA) where: Base-Base interactions energy: -109.291 where: short stacking energy: -50.170 Base-Backbone interact. energy: -0.107 local terms energy: -65.183598 where: bonds (distance) C4'-P energy: -12.824 bonds (distance) P-C4' energy: -13.518 flat angles C4'-P-C4' energy: -13.966 flat angles P-C4'-P energy: -10.467 tors. eta vs tors. theta energy: -14.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -172.710082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.710082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.710082 (E_RNA) where: Base-Base interactions energy: -117.678 where: short stacking energy: -42.412 Base-Backbone interact. energy: -0.937 local terms energy: -54.095266 where: bonds (distance) C4'-P energy: -9.047 bonds (distance) P-C4' energy: -14.565 flat angles C4'-P-C4' energy: -10.635 flat angles P-C4'-P energy: -6.450 tors. eta vs tors. theta energy: -13.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -171.002838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.002838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.002838 (E_RNA) where: Base-Base interactions energy: -112.729 where: short stacking energy: -43.004 Base-Backbone interact. energy: -0.003 local terms energy: -58.270724 where: bonds (distance) C4'-P energy: -10.440 bonds (distance) P-C4' energy: -12.893 flat angles C4'-P-C4' energy: -9.928 flat angles P-C4'-P energy: -8.737 tors. eta vs tors. theta energy: -16.273 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: 3 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -173.828783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.828783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.828783 (E_RNA) where: Base-Base interactions energy: -121.474 where: short stacking energy: -44.131 Base-Backbone interact. energy: -0.094 local terms energy: -52.261499 where: bonds (distance) C4'-P energy: -12.615 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -9.745 flat angles P-C4'-P energy: -1.936 tors. eta vs tors. theta energy: -13.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -68.574169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.574169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.574169 (E_RNA) where: Base-Base interactions energy: -28.160 where: short stacking energy: -13.859 Base-Backbone interact. energy: -0.117 local terms energy: -40.297489 where: bonds (distance) C4'-P energy: -12.485 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -11.031 flat angles P-C4'-P energy: -6.593 tors. eta vs tors. theta energy: 3.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -69.713635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.713635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.713635 (E_RNA) where: Base-Base interactions energy: -24.368 where: short stacking energy: -23.229 Base-Backbone interact. energy: -0.042 local terms energy: -45.303168 where: bonds (distance) C4'-P energy: -10.505 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -12.443 flat angles P-C4'-P energy: -7.631 tors. eta vs tors. theta energy: -6.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -188.189680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.189680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.189680 (E_RNA) where: Base-Base interactions energy: -124.211 where: short stacking energy: -52.480 Base-Backbone interact. energy: -0.632 local terms energy: -63.346246 where: bonds (distance) C4'-P energy: -14.223 bonds (distance) P-C4' energy: -13.079 flat angles C4'-P-C4' energy: -9.978 flat angles P-C4'-P energy: -11.272 tors. eta vs tors. theta energy: -14.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -184.426013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.426013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.426013 (E_RNA) where: Base-Base interactions energy: -124.758 where: short stacking energy: -55.912 Base-Backbone interact. energy: -0.819 local terms energy: -58.849258 where: bonds (distance) C4'-P energy: -12.271 bonds (distance) P-C4' energy: -12.244 flat angles C4'-P-C4' energy: -11.148 flat angles P-C4'-P energy: -9.390 tors. eta vs tors. theta energy: -13.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -184.062993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.062993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.062993 (E_RNA) where: Base-Base interactions energy: -131.564 where: short stacking energy: -51.024 Base-Backbone interact. energy: -0.102 local terms energy: -52.397213 where: bonds (distance) C4'-P energy: -10.432 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -9.507 flat angles P-C4'-P energy: -2.151 tors. eta vs tors. theta energy: -16.356 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: 4, replica: 6 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -177.716958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.716958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.716958 (E_RNA) where: Base-Base interactions energy: -113.782 where: short stacking energy: -45.321 Base-Backbone interact. energy: -0.174 local terms energy: -63.761048 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -12.045 flat angles C4'-P-C4' energy: -12.581 flat angles P-C4'-P energy: -10.414 tors. eta vs tors. theta energy: -16.555 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: 2 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -178.571503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.571503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.571503 (E_RNA) where: Base-Base interactions energy: -120.014 where: short stacking energy: -48.761 Base-Backbone interact. energy: -0.756 local terms energy: -57.802366 where: bonds (distance) C4'-P energy: -10.833 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -11.195 flat angles P-C4'-P energy: -8.200 tors. eta vs tors. theta energy: -14.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -173.189176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.189176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.189176 (E_RNA) where: Base-Base interactions energy: -116.917 where: short stacking energy: -44.662 Base-Backbone interact. energy: -0.004 local terms energy: -56.268153 where: bonds (distance) C4'-P energy: -12.936 bonds (distance) P-C4' energy: -10.901 flat angles C4'-P-C4' energy: -10.462 flat angles P-C4'-P energy: -9.821 tors. eta vs tors. theta energy: -12.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -175.654099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.654099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.654099 (E_RNA) where: Base-Base interactions energy: -114.566 where: short stacking energy: -46.553 Base-Backbone interact. energy: -0.238 local terms energy: -60.850157 where: bonds (distance) C4'-P energy: -10.861 bonds (distance) P-C4' energy: -13.653 flat angles C4'-P-C4' energy: -13.195 flat angles P-C4'-P energy: -7.765 tors. eta vs tors. theta energy: -15.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -165.123183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.123183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.123183 (E_RNA) where: Base-Base interactions energy: -109.281 where: short stacking energy: -42.320 Base-Backbone interact. energy: 0.190 local terms energy: -56.031424 where: bonds (distance) C4'-P energy: -14.232 bonds (distance) P-C4' energy: -10.499 flat angles C4'-P-C4' energy: -11.267 flat angles P-C4'-P energy: -6.243 tors. eta vs tors. theta energy: -13.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -62.544249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.544249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.544249 (E_RNA) where: Base-Base interactions energy: -21.988 where: short stacking energy: -20.780 Base-Backbone interact. energy: -0.025 local terms energy: -40.530721 where: bonds (distance) C4'-P energy: -10.345 bonds (distance) P-C4' energy: -14.099 flat angles C4'-P-C4' energy: -3.576 flat angles P-C4'-P energy: -7.843 tors. eta vs tors. theta energy: -4.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -68.215656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.215656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.215656 (E_RNA) where: Base-Base interactions energy: -32.731 where: short stacking energy: -30.339 Base-Backbone interact. energy: -0.043 local terms energy: -35.441564 where: bonds (distance) C4'-P energy: -9.467 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -6.215 tors. eta vs tors. theta energy: -5.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -190.321430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.321430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.321430 (E_RNA) where: Base-Base interactions energy: -136.601 where: short stacking energy: -56.209 Base-Backbone interact. energy: -0.656 local terms energy: -53.064806 where: bonds (distance) C4'-P energy: -8.589 bonds (distance) P-C4' energy: -11.436 flat angles C4'-P-C4' energy: -10.750 flat angles P-C4'-P energy: -8.432 tors. eta vs tors. theta energy: -13.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -182.241513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.241513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.241513 (E_RNA) where: Base-Base interactions energy: -118.848 where: short stacking energy: -48.051 Base-Backbone interact. energy: 0.043 local terms energy: -63.436420 where: bonds (distance) C4'-P energy: -12.014 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -15.810 flat angles P-C4'-P energy: -10.015 tors. eta vs tors. theta energy: -12.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -185.208814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.208814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.208814 (E_RNA) where: Base-Base interactions energy: -122.402 where: short stacking energy: -48.616 Base-Backbone interact. energy: -0.164 local terms energy: -62.643044 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -14.689 flat angles C4'-P-C4' energy: -13.630 flat angles P-C4'-P energy: -6.725 tors. eta vs tors. theta energy: -15.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -178.793592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.793592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.793592 (E_RNA) where: Base-Base interactions energy: -126.694 where: short stacking energy: -47.057 Base-Backbone interact. energy: -0.000 local terms energy: -52.098781 where: bonds (distance) C4'-P energy: -9.177 bonds (distance) P-C4' energy: -10.911 flat angles C4'-P-C4' energy: -14.180 flat angles P-C4'-P energy: -5.474 tors. eta vs tors. theta energy: -12.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -174.722958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.722958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.722958 (E_RNA) where: Base-Base interactions energy: -115.360 where: short stacking energy: -45.296 Base-Backbone interact. energy: -0.065 local terms energy: -59.297483 where: bonds (distance) C4'-P energy: -12.072 bonds (distance) P-C4' energy: -11.116 flat angles C4'-P-C4' energy: -13.469 flat angles P-C4'-P energy: -8.675 tors. eta vs tors. theta energy: -13.966 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: 6, replica: 2 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -175.903374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.903374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.903374 (E_RNA) where: Base-Base interactions energy: -116.506 where: short stacking energy: -44.491 Base-Backbone interact. energy: -0.099 local terms energy: -59.298355 where: bonds (distance) C4'-P energy: -11.736 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -13.752 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -15.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -161.874965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.874965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.874965 (E_RNA) where: Base-Base interactions energy: -104.388 where: short stacking energy: -38.283 Base-Backbone interact. energy: -0.066 local terms energy: -57.421069 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -11.602 flat angles P-C4'-P energy: -10.361 tors. eta vs tors. theta energy: -10.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -160.925013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.925013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.925013 (E_RNA) where: Base-Base interactions energy: -105.090 where: short stacking energy: -42.576 Base-Backbone interact. energy: -0.297 local terms energy: -55.538286 where: bonds (distance) C4'-P energy: -9.290 bonds (distance) P-C4' energy: -14.036 flat angles C4'-P-C4' energy: -10.409 flat angles P-C4'-P energy: -9.257 tors. eta vs tors. theta energy: -12.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -68.550830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.550830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.550830 (E_RNA) where: Base-Base interactions energy: -31.355 where: short stacking energy: -13.181 Base-Backbone interact. energy: -0.364 local terms energy: -36.831657 where: bonds (distance) C4'-P energy: -11.623 bonds (distance) P-C4' energy: -12.628 flat angles C4'-P-C4' energy: -12.080 flat angles P-C4'-P energy: -2.518 tors. eta vs tors. theta energy: 2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -71.020689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.020689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.020689 (E_RNA) where: Base-Base interactions energy: -27.190 where: short stacking energy: -25.528 Base-Backbone interact. energy: 1.742 local terms energy: -45.571814 where: bonds (distance) C4'-P energy: -12.999 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -11.973 flat angles P-C4'-P energy: -5.862 tors. eta vs tors. theta energy: -2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -189.932928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.932928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.932928 (E_RNA) where: Base-Base interactions energy: -127.016 where: short stacking energy: -51.307 Base-Backbone interact. energy: -0.200 local terms energy: -62.716413 where: bonds (distance) C4'-P energy: -12.121 bonds (distance) P-C4' energy: -13.887 flat angles C4'-P-C4' energy: -13.372 flat angles P-C4'-P energy: -8.361 tors. eta vs tors. theta energy: -14.975 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: 1 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -184.289276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.289276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.289276 (E_RNA) where: Base-Base interactions energy: -129.332 where: short stacking energy: -46.779 Base-Backbone interact. energy: -0.028 local terms energy: -54.930008 where: bonds (distance) C4'-P energy: -9.177 bonds (distance) P-C4' energy: -10.712 flat angles C4'-P-C4' energy: -10.102 flat angles P-C4'-P energy: -7.487 tors. eta vs tors. theta energy: -17.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -184.126356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.126356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.126356 (E_RNA) where: Base-Base interactions energy: -126.801 where: short stacking energy: -51.548 Base-Backbone interact. energy: -0.142 local terms energy: -57.184140 where: bonds (distance) C4'-P energy: -12.398 bonds (distance) P-C4' energy: -11.580 flat angles C4'-P-C4' energy: -8.316 flat angles P-C4'-P energy: -9.787 tors. eta vs tors. theta energy: -15.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -183.379784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.379784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.379784 (E_RNA) where: Base-Base interactions energy: -119.579 where: short stacking energy: -43.470 Base-Backbone interact. energy: -0.683 local terms energy: -63.117380 where: bonds (distance) C4'-P energy: -12.108 bonds (distance) P-C4' energy: -14.354 flat angles C4'-P-C4' energy: -13.728 flat angles P-C4'-P energy: -10.740 tors. eta vs tors. theta energy: -12.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -177.894331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.894331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.894331 (E_RNA) where: Base-Base interactions energy: -123.669 where: short stacking energy: -48.462 Base-Backbone interact. energy: -0.019 local terms energy: -54.206158 where: bonds (distance) C4'-P energy: -8.577 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -8.207 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: -14.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -170.724241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.724241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.724241 (E_RNA) where: Base-Base interactions energy: -111.404 where: short stacking energy: -43.431 Base-Backbone interact. energy: -0.549 local terms energy: -58.771173 where: bonds (distance) C4'-P energy: -14.021 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -12.009 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -14.099 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: 495 Temperature: 1.200000 Total energy: -174.273331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.273331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.273331 (E_RNA) where: Base-Base interactions energy: -125.671 where: short stacking energy: -50.076 Base-Backbone interact. energy: -0.232 local terms energy: -48.370832 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -12.331 flat angles P-C4'-P energy: -2.042 tors. eta vs tors. theta energy: -13.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -172.157585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.157585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.157585 (E_RNA) where: Base-Base interactions energy: -118.469 where: short stacking energy: -46.963 Base-Backbone interact. energy: -0.003 local terms energy: -53.685507 where: bonds (distance) C4'-P energy: -10.456 bonds (distance) P-C4' energy: -13.431 flat angles C4'-P-C4' energy: -10.444 flat angles P-C4'-P energy: -9.077 tors. eta vs tors. theta energy: -10.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -80.164174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.164174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.164174 (E_RNA) where: Base-Base interactions energy: -30.236 where: short stacking energy: -30.147 Base-Backbone interact. energy: -0.123 local terms energy: -49.805106 where: bonds (distance) C4'-P energy: -10.466 bonds (distance) P-C4' energy: -13.569 flat angles C4'-P-C4' energy: -14.093 flat angles P-C4'-P energy: -5.903 tors. eta vs tors. theta energy: -5.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -59.633111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.633111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.633111 (E_RNA) where: Base-Base interactions energy: -28.192 where: short stacking energy: -1.281 Base-Backbone interact. energy: -0.817 local terms energy: -30.624822 where: bonds (distance) C4'-P energy: -9.140 bonds (distance) P-C4' energy: -11.358 flat angles C4'-P-C4' energy: -9.175 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: 3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -184.199398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.199398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.199398 (E_RNA) where: Base-Base interactions energy: -120.806 where: short stacking energy: -50.512 Base-Backbone interact. energy: -1.488 local terms energy: -61.905338 where: bonds (distance) C4'-P energy: -12.998 bonds (distance) P-C4' energy: -11.610 flat angles C4'-P-C4' energy: -12.212 flat angles P-C4'-P energy: -9.880 tors. eta vs tors. theta energy: -15.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -184.994060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.994060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.994060 (E_RNA) where: Base-Base interactions energy: -128.155 where: short stacking energy: -47.983 Base-Backbone interact. energy: -0.790 local terms energy: -56.048480 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -11.871 flat angles C4'-P-C4' energy: -13.108 flat angles P-C4'-P energy: -7.307 tors. eta vs tors. theta energy: -11.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -183.991210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.991210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.991210 (E_RNA) where: Base-Base interactions energy: -125.204 where: short stacking energy: -51.393 Base-Backbone interact. energy: 0.775 local terms energy: -59.562483 where: bonds (distance) C4'-P energy: -12.452 bonds (distance) P-C4' energy: -13.833 flat angles C4'-P-C4' energy: -11.380 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -16.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -186.512875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.512875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.512875 (E_RNA) where: Base-Base interactions energy: -128.608 where: short stacking energy: -47.649 Base-Backbone interact. energy: -0.394 local terms energy: -57.510923 where: bonds (distance) C4'-P energy: -12.953 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -11.974 flat angles P-C4'-P energy: -6.890 tors. eta vs tors. theta energy: -12.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -177.163518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.163518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.163518 (E_RNA) where: Base-Base interactions energy: -122.863 where: short stacking energy: -50.162 Base-Backbone interact. energy: -0.008 local terms energy: -54.292264 where: bonds (distance) C4'-P energy: -11.413 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -8.370 tors. eta vs tors. theta energy: -13.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -177.253697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.253697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.253697 (E_RNA) where: Base-Base interactions energy: -121.175 where: short stacking energy: -47.957 Base-Backbone interact. energy: -0.424 local terms energy: -55.653978 where: bonds (distance) C4'-P energy: -12.145 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -9.771 flat angles P-C4'-P energy: -5.482 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: 7, replica: 9 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -165.465500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.465500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.465500 (E_RNA) where: Base-Base interactions energy: -117.008 where: short stacking energy: -43.460 Base-Backbone interact. energy: 0.822 local terms energy: -49.279456 where: bonds (distance) C4'-P energy: -9.397 bonds (distance) P-C4' energy: -12.119 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -8.552 tors. eta vs tors. theta energy: -11.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -171.547368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.547368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.547368 (E_RNA) where: Base-Base interactions energy: -109.682 where: short stacking energy: -46.262 Base-Backbone interact. energy: 0.122 local terms energy: -61.986573 where: bonds (distance) C4'-P energy: -9.893 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -13.402 flat angles P-C4'-P energy: -9.819 tors. eta vs tors. theta energy: -15.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -80.117425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.117425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.117425 (E_RNA) where: Base-Base interactions energy: -28.881 where: short stacking energy: -28.881 Base-Backbone interact. energy: -0.015 local terms energy: -51.221400 where: bonds (distance) C4'-P energy: -12.146 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -12.593 flat angles P-C4'-P energy: -6.788 tors. eta vs tors. theta energy: -6.029 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: 5 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -58.387260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.387260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.387260 (E_RNA) where: Base-Base interactions energy: -30.210 where: short stacking energy: -12.941 Base-Backbone interact. energy: -0.261 local terms energy: -27.916112 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -8.719 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -6.248 tors. eta vs tors. theta energy: 0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -186.479229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.479229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.479229 (E_RNA) where: Base-Base interactions energy: -123.683 where: short stacking energy: -53.480 Base-Backbone interact. energy: -0.000 local terms energy: -62.796029 where: bonds (distance) C4'-P energy: -11.293 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -13.110 flat angles P-C4'-P energy: -8.360 tors. eta vs tors. theta energy: -16.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -185.243248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.243248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.243248 (E_RNA) where: Base-Base interactions energy: -121.959 where: short stacking energy: -48.747 Base-Backbone interact. energy: -0.003 local terms energy: -63.280849 where: bonds (distance) C4'-P energy: -15.151 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -18.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -185.782327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.782327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.782327 (E_RNA) where: Base-Base interactions energy: -125.478 where: short stacking energy: -51.819 Base-Backbone interact. energy: -0.325 local terms energy: -59.978589 where: bonds (distance) C4'-P energy: -10.832 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -11.608 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -14.658 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: 4 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -184.083285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.083285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.083285 (E_RNA) where: Base-Base interactions energy: -120.451 where: short stacking energy: -46.889 Base-Backbone interact. energy: 0.082 local terms energy: -63.714881 where: bonds (distance) C4'-P energy: -11.698 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -11.702 flat angles P-C4'-P energy: -10.375 tors. eta vs tors. theta energy: -16.340 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: 5, replica: 6 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -182.765330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.765330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.765330 (E_RNA) where: Base-Base interactions energy: -122.789 where: short stacking energy: -53.518 Base-Backbone interact. energy: -0.086 local terms energy: -59.890451 where: bonds (distance) C4'-P energy: -13.516 bonds (distance) P-C4' energy: -11.544 flat angles C4'-P-C4' energy: -11.586 flat angles P-C4'-P energy: -7.375 tors. eta vs tors. theta energy: -15.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -176.478150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.478150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.478150 (E_RNA) where: Base-Base interactions energy: -122.409 where: short stacking energy: -47.744 Base-Backbone interact. energy: -0.018 local terms energy: -54.051432 where: bonds (distance) C4'-P energy: -8.866 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -11.692 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -15.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -167.357553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.357553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.357553 (E_RNA) where: Base-Base interactions energy: -112.272 where: short stacking energy: -43.642 Base-Backbone interact. energy: -0.122 local terms energy: -54.963721 where: bonds (distance) C4'-P energy: -12.052 bonds (distance) P-C4' energy: -11.983 flat angles C4'-P-C4' energy: -11.281 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -13.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -137.438310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.438310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.438310 (E_RNA) where: Base-Base interactions energy: -89.808 where: short stacking energy: -40.437 Base-Backbone interact. energy: 0.377 local terms energy: -48.007764 where: bonds (distance) C4'-P energy: -11.813 bonds (distance) P-C4' energy: -10.280 flat angles C4'-P-C4' energy: -11.887 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: -8.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -62.197254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.197254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.197254 (E_RNA) where: Base-Base interactions energy: -16.898 where: short stacking energy: -16.877 Base-Backbone interact. energy: -0.244 local terms energy: -45.054754 where: bonds (distance) C4'-P energy: -9.437 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -13.739 flat angles P-C4'-P energy: -7.122 tors. eta vs tors. theta energy: -0.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -65.779515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.779515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.779515 (E_RNA) where: Base-Base interactions energy: -25.765 where: short stacking energy: -17.046 Base-Backbone interact. energy: -0.537 local terms energy: -39.477521 where: bonds (distance) C4'-P energy: -9.807 bonds (distance) P-C4' energy: -12.105 flat angles C4'-P-C4' energy: -11.374 flat angles P-C4'-P energy: -7.847 tors. eta vs tors. theta energy: 1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -193.597499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.597499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.597499 (E_RNA) where: Base-Base interactions energy: -128.529 where: short stacking energy: -55.169 Base-Backbone interact. energy: -0.063 local terms energy: -65.005394 where: bonds (distance) C4'-P energy: -14.038 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -13.794 flat angles P-C4'-P energy: -5.852 tors. eta vs tors. theta energy: -16.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -187.695666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.695666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.695666 (E_RNA) where: Base-Base interactions energy: -128.439 where: short stacking energy: -55.178 Base-Backbone interact. energy: -0.002 local terms energy: -59.254770 where: bonds (distance) C4'-P energy: -11.181 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -10.684 flat angles P-C4'-P energy: -9.069 tors. eta vs tors. theta energy: -14.534 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: 4 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -185.110981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.110981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.110981 (E_RNA) where: Base-Base interactions energy: -124.676 where: short stacking energy: -55.528 Base-Backbone interact. energy: 0.009 local terms energy: -60.443970 where: bonds (distance) C4'-P energy: -10.451 bonds (distance) P-C4' energy: -10.989 flat angles C4'-P-C4' energy: -12.239 flat angles P-C4'-P energy: -9.794 tors. eta vs tors. theta energy: -16.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -180.614789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.614789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.614789 (E_RNA) where: Base-Base interactions energy: -121.126 where: short stacking energy: -53.756 Base-Backbone interact. energy: -0.891 local terms energy: -58.598628 where: bonds (distance) C4'-P energy: -12.804 bonds (distance) P-C4' energy: -10.994 flat angles C4'-P-C4' energy: -12.378 flat angles P-C4'-P energy: -7.676 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: 5, replica: 9 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -179.211459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.211459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.211459 (E_RNA) where: Base-Base interactions energy: -122.502 where: short stacking energy: -51.250 Base-Backbone interact. energy: -0.006 local terms energy: -56.702886 where: bonds (distance) C4'-P energy: -9.644 bonds (distance) P-C4' energy: -13.206 flat angles C4'-P-C4' energy: -12.092 flat angles P-C4'-P energy: -5.927 tors. eta vs tors. theta energy: -15.834 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: 6 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -176.869342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.869342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.869342 (E_RNA) where: Base-Base interactions energy: -116.256 where: short stacking energy: -46.747 Base-Backbone interact. energy: -0.013 local terms energy: -60.600012 where: bonds (distance) C4'-P energy: -10.531 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -7.786 tors. eta vs tors. theta energy: -13.496 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: 3 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -167.225032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.225032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.225032 (E_RNA) where: Base-Base interactions energy: -111.793 where: short stacking energy: -41.442 Base-Backbone interact. energy: -0.908 local terms energy: -54.523666 where: bonds (distance) C4'-P energy: -13.206 bonds (distance) P-C4' energy: -4.449 flat angles C4'-P-C4' energy: -14.134 flat angles P-C4'-P energy: -11.559 tors. eta vs tors. theta energy: -11.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -165.487811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.487811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.487811 (E_RNA) where: Base-Base interactions energy: -111.243 where: short stacking energy: -44.694 Base-Backbone interact. energy: -0.031 local terms energy: -54.213729 where: bonds (distance) C4'-P energy: -12.033 bonds (distance) P-C4' energy: -11.733 flat angles C4'-P-C4' energy: -10.123 flat angles P-C4'-P energy: -6.900 tors. eta vs tors. theta energy: -13.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -67.193401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.193401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.193401 (E_RNA) where: Base-Base interactions energy: -22.405 where: short stacking energy: -20.903 Base-Backbone interact. energy: -0.007 local terms energy: -44.781704 where: bonds (distance) C4'-P energy: -13.081 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -10.760 flat angles P-C4'-P energy: -9.231 tors. eta vs tors. theta energy: 1.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -62.568928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.568928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.568928 (E_RNA) where: Base-Base interactions energy: -26.663 where: short stacking energy: -22.436 Base-Backbone interact. energy: -0.060 local terms energy: -35.845793 where: bonds (distance) C4'-P energy: -13.871 bonds (distance) P-C4' energy: -11.838 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: 2.389 tors. eta vs tors. theta energy: -6.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -184.418747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.418747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.418747 (E_RNA) where: Base-Base interactions energy: -120.225 where: short stacking energy: -49.130 Base-Backbone interact. energy: -0.001 local terms energy: -64.191854 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -12.293 flat angles P-C4'-P energy: -7.748 tors. eta vs tors. theta energy: -17.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -185.600004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.600004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.600004 (E_RNA) where: Base-Base interactions energy: -129.201 where: short stacking energy: -50.956 Base-Backbone interact. energy: -0.014 local terms energy: -56.384792 where: bonds (distance) C4'-P energy: -12.791 bonds (distance) P-C4' energy: -8.083 flat angles C4'-P-C4' energy: -13.387 flat angles P-C4'-P energy: -7.861 tors. eta vs tors. theta energy: -14.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -183.340110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.340110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.340110 (E_RNA) where: Base-Base interactions energy: -127.226 where: short stacking energy: -50.040 Base-Backbone interact. energy: -0.846 local terms energy: -55.268585 where: bonds (distance) C4'-P energy: -8.543 bonds (distance) P-C4' energy: -9.580 flat angles C4'-P-C4' energy: -12.927 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -14.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -181.088132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.088132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.088132 (E_RNA) where: Base-Base interactions energy: -126.680 where: short stacking energy: -42.165 Base-Backbone interact. energy: -0.051 local terms energy: -54.357392 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -12.627 flat angles C4'-P-C4' energy: -12.774 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -11.740 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: 10 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -182.671681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.671681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.671681 (E_RNA) where: Base-Base interactions energy: -129.228 where: short stacking energy: -48.826 Base-Backbone interact. energy: 0.627 local terms energy: -54.070559 where: bonds (distance) C4'-P energy: -6.821 bonds (distance) P-C4' energy: -12.147 flat angles C4'-P-C4' energy: -13.408 flat angles P-C4'-P energy: -8.913 tors. eta vs tors. theta energy: -12.781 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: 499 Temperature: 1.150000 Total energy: -180.196725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.196725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.196725 (E_RNA) where: Base-Base interactions energy: -124.517 where: short stacking energy: -43.976 Base-Backbone interact. energy: -0.014 local terms energy: -55.665778 where: bonds (distance) C4'-P energy: -10.991 bonds (distance) P-C4' energy: -12.444 flat angles C4'-P-C4' energy: -14.272 flat angles P-C4'-P energy: -6.297 tors. eta vs tors. theta energy: -11.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -170.053976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.053976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.053976 (E_RNA) where: Base-Base interactions energy: -118.550 where: short stacking energy: -53.478 Base-Backbone interact. energy: -0.008 local terms energy: -51.496863 where: bonds (distance) C4'-P energy: -9.234 bonds (distance) P-C4' energy: -10.327 flat angles C4'-P-C4' energy: -12.064 flat angles P-C4'-P energy: -7.463 tors. eta vs tors. theta energy: -12.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -174.943410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.943410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.943410 (E_RNA) where: Base-Base interactions energy: -116.955 where: short stacking energy: -44.953 Base-Backbone interact. energy: 0.855 local terms energy: -58.844316 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -13.368 flat angles P-C4'-P energy: -8.566 tors. eta vs tors. theta energy: -10.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -68.543363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.543363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.543363 (E_RNA) where: Base-Base interactions energy: -25.654 where: short stacking energy: -25.437 Base-Backbone interact. energy: -0.148 local terms energy: -42.741474 where: bonds (distance) C4'-P energy: -7.140 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -12.699 flat angles P-C4'-P energy: -8.479 tors. eta vs tors. theta energy: -6.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -61.031564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.031564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.031564 (E_RNA) where: Base-Base interactions energy: -23.320 where: short stacking energy: -23.320 Base-Backbone interact. energy: -0.030 local terms energy: -37.680787 where: bonds (distance) C4'-P energy: -9.699 bonds (distance) P-C4' energy: -10.339 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -4.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -187.525054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.525054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.525054 (E_RNA) where: Base-Base interactions energy: -138.004 where: short stacking energy: -47.829 Base-Backbone interact. energy: -0.002 local terms energy: -49.519108 where: bonds (distance) C4'-P energy: -9.881 bonds (distance) P-C4' energy: -5.881 flat angles C4'-P-C4' energy: -13.253 flat angles P-C4'-P energy: -8.222 tors. eta vs tors. theta energy: -12.283 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: 8 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -188.999651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.999651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.999651 (E_RNA) where: Base-Base interactions energy: -120.825 where: short stacking energy: -45.452 Base-Backbone interact. energy: -0.005 local terms energy: -68.169192 where: bonds (distance) C4'-P energy: -13.159 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -12.838 flat angles P-C4'-P energy: -11.045 tors. eta vs tors. theta energy: -17.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -185.947199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.947199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.947199 (E_RNA) where: Base-Base interactions energy: -120.202 where: short stacking energy: -52.035 Base-Backbone interact. energy: -0.688 local terms energy: -65.057808 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -13.501 flat angles C4'-P-C4' energy: -15.802 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -16.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -176.651201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.651201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.651201 (E_RNA) where: Base-Base interactions energy: -114.933 where: short stacking energy: -46.037 Base-Backbone interact. energy: -0.066 local terms energy: -61.651853 where: bonds (distance) C4'-P energy: -11.080 bonds (distance) P-C4' energy: -13.892 flat angles C4'-P-C4' energy: -12.530 flat angles P-C4'-P energy: -8.736 tors. eta vs tors. theta energy: -15.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -165.386913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.386913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.386913 (E_RNA) where: Base-Base interactions energy: -115.959 where: short stacking energy: -45.786 Base-Backbone interact. energy: -0.703 local terms energy: -48.725453 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -10.832 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -12.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -178.951093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.951093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.951093 (E_RNA) where: Base-Base interactions energy: -129.524 where: short stacking energy: -50.927 Base-Backbone interact. energy: -0.018 local terms energy: -49.408726 where: bonds (distance) C4'-P energy: -10.949 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -13.458 flat angles P-C4'-P energy: -1.775 tors. eta vs tors. theta energy: -15.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -167.052529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.052529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.052529 (E_RNA) where: Base-Base interactions energy: -108.590 where: short stacking energy: -40.199 Base-Backbone interact. energy: -0.005 local terms energy: -58.457321 where: bonds (distance) C4'-P energy: -11.152 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -12.399 flat angles P-C4'-P energy: -8.639 tors. eta vs tors. theta energy: -12.947 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: 2 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -165.927813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.927813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.927813 (E_RNA) where: Base-Base interactions energy: -112.259 where: short stacking energy: -42.798 Base-Backbone interact. energy: -0.037 local terms energy: -53.631900 where: bonds (distance) C4'-P energy: -11.255 bonds (distance) P-C4' energy: -10.863 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -6.956 tors. eta vs tors. theta energy: -12.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -65.641065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.641065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.641065 (E_RNA) where: Base-Base interactions energy: -31.223 where: short stacking energy: -17.572 Base-Backbone interact. energy: -0.016 local terms energy: -34.401928 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -10.013 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: 0.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -71.891240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.891240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.891240 (E_RNA) where: Base-Base interactions energy: -26.546 where: short stacking energy: -26.546 Base-Backbone interact. energy: -0.183 local terms energy: -45.161596 where: bonds (distance) C4'-P energy: -9.569 bonds (distance) P-C4' energy: -12.274 flat angles C4'-P-C4' energy: -9.262 flat angles P-C4'-P energy: -8.791 tors. eta vs tors. theta energy: -5.266 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: 1, replica: 4 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -190.028902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.028902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.028902 (E_RNA) where: Base-Base interactions energy: -126.130 where: short stacking energy: -54.442 Base-Backbone interact. energy: -0.001 local terms energy: -63.898231 where: bonds (distance) C4'-P energy: -14.314 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -11.920 flat angles P-C4'-P energy: -6.981 tors. eta vs tors. theta energy: -17.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -186.098944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.098944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.098944 (E_RNA) where: Base-Base interactions energy: -119.921 where: short stacking energy: -47.203 Base-Backbone interact. energy: -1.328 local terms energy: -64.849740 where: bonds (distance) C4'-P energy: -14.405 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -11.449 flat angles P-C4'-P energy: -12.519 tors. eta vs tors. theta energy: -11.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -179.938189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.938189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.938189 (E_RNA) where: Base-Base interactions energy: -122.320 where: short stacking energy: -47.740 Base-Backbone interact. energy: -0.005 local terms energy: -57.612203 where: bonds (distance) C4'-P energy: -13.102 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -12.098 flat angles P-C4'-P energy: -5.450 tors. eta vs tors. theta energy: -13.419 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: 3 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -173.160807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.160807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.160807 (E_RNA) where: Base-Base interactions energy: -117.285 where: short stacking energy: -43.014 Base-Backbone interact. energy: -0.056 local terms energy: -55.819832 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -13.749 flat angles P-C4'-P energy: -8.424 tors. eta vs tors. theta energy: -7.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -173.086015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.086015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.086015 (E_RNA) where: Base-Base interactions energy: -111.556 where: short stacking energy: -39.579 Base-Backbone interact. energy: -0.013 local terms energy: -61.516975 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -10.636 flat angles P-C4'-P energy: -9.117 tors. eta vs tors. theta energy: -13.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -176.719116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.719116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.719116 (E_RNA) where: Base-Base interactions energy: -120.150 where: short stacking energy: -50.664 Base-Backbone interact. energy: -0.005 local terms energy: -56.563999 where: bonds (distance) C4'-P energy: -11.288 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -11.526 flat angles P-C4'-P energy: -6.380 tors. eta vs tors. theta energy: -14.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -169.559166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.559166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.559166 (E_RNA) where: Base-Base interactions energy: -112.929 where: short stacking energy: -45.947 Base-Backbone interact. energy: -0.104 local terms energy: -56.526514 where: bonds (distance) C4'-P energy: -12.413 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -12.177 flat angles P-C4'-P energy: -8.368 tors. eta vs tors. theta energy: -10.821 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: 501 Temperature: 1.250000 Total energy: -163.541751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.541751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.541751 (E_RNA) where: Base-Base interactions energy: -108.241 where: short stacking energy: -44.302 Base-Backbone interact. energy: -0.008 local terms energy: -55.292793 where: bonds (distance) C4'-P energy: -11.368 bonds (distance) P-C4' energy: -11.951 flat angles C4'-P-C4' energy: -11.219 flat angles P-C4'-P energy: -9.415 tors. eta vs tors. theta energy: -11.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -68.475826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.475826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.475826 (E_RNA) where: Base-Base interactions energy: -21.652 where: short stacking energy: -21.652 Base-Backbone interact. energy: -0.035 local terms energy: -46.788994 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -11.941 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -9.199 tors. eta vs tors. theta energy: -4.419 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: 501 Temperature: 1.350000 Total energy: -60.780724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.780724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.780724 (E_RNA) where: Base-Base interactions energy: -26.948 where: short stacking energy: -17.993 Base-Backbone interact. energy: -0.656 local terms energy: -33.176903 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -11.132 flat angles C4'-P-C4' energy: -9.884 flat angles P-C4'-P energy: -6.561 tors. eta vs tors. theta energy: 0.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 9 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 11702061 moves confirmed later: 13906743 all moves confirmed: 25608804 percent of confirmed moves: 3.201100 current total energy: -170.706207 recalc. total energy: -170.706207 replica 4 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 12723638 moves confirmed later: 15229970 all moves confirmed: 27953608 percent of confirmed moves: 3.494201 current total energy: -162.555555 recalc. total energy: -162.555555 replica 3 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 11312384 moves confirmed later: 13372072 all moves confirmed: 24684456 percent of confirmed moves: 3.085557 current total energy: -137.239832 recalc. total energy: -137.239832 replica 8 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 11942069 moves confirmed later: 14194095 all moves confirmed: 26136164 percent of confirmed moves: 3.267021 current total energy: -147.427630 recalc. total energy: -147.427630 replica 6 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 10305165 moves confirmed later: 12063463 all moves confirmed: 22368628 percent of confirmed moves: 2.796079 current total energy: -150.988729 recalc. total energy: -150.988729 replica 1 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 15629008 moves confirmed later: 18992805 all moves confirmed: 34621813 percent of confirmed moves: 4.327727 current total energy: -125.614277 recalc. total energy: -125.614277 replica 2 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 10877746 moves confirmed later: 12814017 all moves confirmed: 23691763 percent of confirmed moves: 2.961470 current total energy: -115.271126 recalc. total energy: -115.271126 replica 10 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 14183217 moves confirmed later: 17128249 all moves confirmed: 31311466 percent of confirmed moves: 3.913933 current total energy: -111.878191 recalc. total energy: -111.878191 replica 7 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 20061063 moves confirmed later: 24815994 all moves confirmed: 44877057 percent of confirmed moves: 5.609632 current total energy: -22.993539 recalc. total energy: -22.993539 replica 5 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 11516466 moves confirmed later: 13640953 all moves confirmed: 25157419 percent of confirmed moves: 3.144677 current total energy: -37.664096 recalc. total energy: -37.664096 out arg RESULTS//1/16779_3_TR-76d5fd37_01 Time of doing 8000000 iterations: 1629.282 seconds